# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T14:27:10+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 1 2/a 1' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000408","5.1376","0.0002","5.1301","0.0001","12.7822","0.0003","90","","90.119","0.002","90","","336.9","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0365","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000409","5.1138","0.0002","5.0912","0.0002","12.6878","0.0006","90","","90.289","0.007","90","","330.3","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0454","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000410","5.101","0.0003","5.0745","0.0003","12.6324","0.0007","90","","90.355","0.008","90","","327","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Thallium tetrafluoroaluminate - III","","- Al F4 Tl -","- Al F4 Tl -","- Al4 F16 Tl4 -","4","0.5","","Bulou, A; Nouet, J","Structural phase transitions in ferroelastic Tl Al F4: DSC investigations and structures determinations by neutron powder profile refinement","Journal of Physics C","1987","20","","2885","2900","10.1088/0022-3719/20/19/014","","","","","","0.0463","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001820","7.79","0.001","5.526","0.001","5.479","0.001","90","","90.78","","90","","235.8","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Lanthanum manganese oxide (.91/1/3)","","- La0.9125 Mn O3 -","- La0.9125 Mn O3 -","- La3.65 Mn4 O12 -","4","0.5","","Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B.","A monoclinic manganite, La~0.9~MnO~3-δ~, with colossal magnetoresistance properties near room temperature","Solid State Communications","1997","101","4","277","281","10.1016/S0038-1098(96)00533-9","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","200124","2020-10-21","18:00:00",""
"1008736","7.2956","0.0007","7.5605","0.0007","7.2512","0.0007","90","","117.368","0.002","90","","355.2","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Iron iron(III) phosphate(V) - β","","- Fe2 O5 P -","- Fe2 O5 P -","- Fe8 O20 P4 -","4","0.5","","Elkaïm, E.; Berar, J. F.; Gleitzer, C.; Malaman, B.; Ijjaali, M.; Lecomte, C.","Occurrence of a monoclinic distortion in β-Fe~2~PO~5~","Acta Crystallographica, Section B: Structural Science","1996","52","3","428","431","10.1107/s0108768195014273","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","200140","2020-10-21","18:00:00",""
"1010534","9.44","0.01","11.87","0.01","16.49","0.02","90","","117.27","0.08","90","","1642.4","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Cadmium sulfate 2.66-hydrate","","- Cd H5.334 O6.667 S -","- Cd H8 O6.66667 S -","- Cd12 H96 O80 S12 -","12","1.5","","Lipson, H","The Crystal Structure of (Cd S O~4~)~3~ (H~2~ O)~8~","Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-)","1936","156","","462","470","10.1098/rspa.1936.0161","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100549","21.53","0.011","9.875","0.006","27.393","0.014","90","","107.62","0.04","90","","5550.76","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H72 N4 P4 Si4 Zn4 -","- C32 H72 N4 P4 Si4 Zn4 -","- C128 H288 N16 P16 Si16 Zn16 -","4","0.5","","Krieger, M.; Gould, R. O.; Neumüller, B.; Harms, K.; Dehnicke, K.","Phosphaniminato-Komplexe des Zinks mit Hydrido-, Alkinylo-, Alkenylo- und Amido-Liganden","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","9","1434","1442","10.1002/(sici)1521-3749(199809)624:9<1434::aid-zaac1434>3.0.co;2-7","","","","","","","","","","","","","","","","","","","","","has coordinates","177952","2020-10-21","18:00:00",""
"1100577","22.753","0.002","22.2736","0.0014","23.844","0.002","90","","94.925","0.015","90","","12039.3","","","","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C37 H95 N3 Na O9 Si7 Sm -","- C37 H95 N3 Na O9 Si7 Sm -","- C296 H760 N24 Na8 O72 Si56 Sm8 -","8","1","","Karl, M.; Seybert, G.; Massa, W.; Harms, K.; Agarwal, S.; Maleika, R.; Stelter, W.; Greiner, A.; Neumüller, W.; Heitz, B.; Dehnicke, K.","Amidometallate von Seltenerdelementen. Synthese und Kristallstrukturen von [Na(12-Krone-4)~2~][M{N(SiMe~3~)~2~}~3~(OSiMe~3~)] (M = Sm, Yb), [Na(THF)~3~Sm{N(SiMe~3~)~2~}~3~(C≡C-Ph)], [Na(THF)~6~][Lu~2~(μ-NH~2~)(μ-NSiMe~3~){N(SiMe~3~)~2~}~4~] sowie von [NaN(SiMe~3~)~2~(THF)]~2~. Anwendungen der Seltenerdkomplexe als Polymerisationskatalysatoren","Zeitschrift für anorganische und allgemeine Chemie","1999","625","8","1301","1309","10.1002/(sici)1521-3749(199908)625:8<1301::aid-zaac1301>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178218","2020-10-21","18:00:00",""
"1100578","22.416","0.0016","22.2972","0.0015","23.7339","0.0013","90","","95.441","0.008","90","","11809.1","","","","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C37 H95 N3 Na O9 Si7 Yb -","- C37 H95 N3 Na O9 Si7 Yb -","- C296 H760 N24 Na8 O72 Si56 Yb8 -","8","1","","Karl, M.; Seybert, G.; Massa, W.; Harms, K.; Agarwal, S.; Maleika, R.; Stelter, W.; Greiner, A.; Neumüller, W.; Heitz, B.; Dehnicke, K.","Amidometallate von Seltenerdelementen. Synthese und Kristallstrukturen von [Na(12-Krone-4)~2~][M{N(SiMe~3~)~2~}~3~(OSiMe~3~)] (M = Sm, Yb), [Na(THF)~3~Sm{N(SiMe~3~)~2~}~3~(C≡C-Ph)], [Na(THF)~6~][Lu~2~(μ-NH~2~)(μ-NSiMe~3~){N(SiMe~3~)~2~}~4~] sowie von [NaN(SiMe~3~)~2~(THF)]~2~. Anwendungen der Seltenerdkomplexe als Polymerisationskatalysatoren","Zeitschrift für anorganische und allgemeine Chemie","1999","625","8","1301","1309","10.1002/(sici)1521-3749(199908)625:8<1301::aid-zaac1301>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178218","2020-10-21","18:00:00",""
"1100603","19.7939","0.0012","10.5997","0.0015","32.094","0.002","90","","107.512","0.007","90","","6421.5","1.1","213","2","213","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H96 Cd4 N4 P4 Si4 -","- C44 H96 Cd4 N4 P4 Si4 -","- C176 H384 Cd16 N16 P16 Si16 -","4","0.5","","Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias","Heterocubane Phosphoraniminato Complexes of Cadmium","Inorganic Chemistry","1998","37","5","1099","1104","10.1021/ic9710364","","","0.71069","","","0.0711","0.0364","","0.0856","0.0761","","","","0.866","0.989","0.989","","","","","has coordinates,has disorder","177996","2020-10-21","18:00:00",""
"1100611","22.2109","0.0017","21.43","0.002","31.644","0.003","90","","98.887","0.008","90","","14881.1","","","","","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C68 H86 Ce Cl2 Li3 N2 O6 P2 -","- C71 H72 Ce Cl2 Li3 N2 O7 P2 -","- C568 H576 Ce8 Cl16 Li24 N16 O56 P16 -","8","1","","Anfang, S.; Seybert, G.; Harms, K.; Geiseler, G.; Massa, W.; Dehnicke, K.","Reaktionen von LiNPPh~3~ mit den Cyclooctatetraenid-Komplexen [Ln(C~8~H~8~)Cl(THF)~2~]~2~ von Cer und Samarium. Die Kristallstrukturen von [LiNPPh~3~]~6~, [Ln(C~8~H~8~)Li~3~Cl~2~(NPPh~3~)~2~(THF)~3~] (Ln = Ce, Sm) und [Li(THF)~4~][Sm(C~8~H~8~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1187","1192","10.1002/(sici)1521-3749(199807)624:7<1187::aid-zaac1187>3.0.co;2-1","","","","","","","","","","","","","","","","","","","","","has coordinates","177950","2020-10-21","18:00:00",""
"1100612","22.099","0.002","21.4538","0.0014","31.526","0.003","90","","98.881","0.011","90","","14767.5","","","","","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C68 H86 Cl2 Li3 N2 O6 P2 Sm -","- C58 H66 Cl2 Li3 N2 O3 P2 Sm -","- C464 H528 Cl16 Li24 N16 O24 P16 Sm8 -","8","1","","Anfang, S.; Seybert, G.; Harms, K.; Geiseler, G.; Massa, W.; Dehnicke, K.","Reaktionen von LiNPPh~3~ mit den Cyclooctatetraenid-Komplexen [Ln(C~8~H~8~)Cl(THF)~2~]~2~ von Cer und Samarium. Die Kristallstrukturen von [LiNPPh~3~]~6~, [Ln(C~8~H~8~)Li~3~Cl~2~(NPPh~3~)~2~(THF)~3~] (Ln = Ce, Sm) und [Li(THF)~4~][Sm(C~8~H~8~)~2~]","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1187","1192","10.1002/(sici)1521-3749(199807)624:7<1187::aid-zaac1187>3.0.co;2-1","","","","","","","","","","","","","","","","","","","","","has coordinates","177950","2020-10-21","18:00:00",""
"1502459","27.1086","0.0004","5.9741","0.0001","29.628","0.002","90","","113.48","0.008","90","","4400.9","0.4","85","2","85","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C216 H232 N8 O24 -","8","1","","Ward, Amanda F.; Wolfe, John P.","Stereoselective synthesis of substituted 1,3-oxazolidines via Pd-catalyzed carboamination reactions of O-vinyl-1,2-amino alcohols.","Organic letters","2011","13","17","4728","4731","10.1021/ol2020048","","","1.54187","CuKα","","0.0915","0.0672","","","0.175","0.1983","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503272","21.7453","0.0016","18.8909","0.0014","21.9832","0.0016","90","","100.632","0.001","90","","8875.4","1.1","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H31 N O6 Si0 -","- C22 H31 N O6 -","- C352 H496 N16 O96 -","16","2","","Zhang, Bao; Wee, Andrew G. H.","Di- and trisubstituted γ-lactams via Rh(II)-carbenoid reaction of N-Cα-branched, N-bis(trimethylsilyl)methyl α-diazoamides. Synthesis of (±)-α-allokainic acid.","Organic letters","2010","12","23","5386","5389","10.1021/ol1021564","","","0.71073","MoKα","","0.0557","0.0473","","","0.1277","0.1358","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505409","20.525","0.004","12.332","0.003","32.577","0.008","90","","108.199","0.004","90","","7833","3","193","2","193","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C272 H384 N64 O96 -","16","2","","Snyder, Seth E.; Volkers, Phillip I.; Engebretson, David A.; Lee, Wonjae; Pirkle, William H.; Carey, James R.","Strong enantioselective self-recognition of a small chiral molecule.","Organic letters","2007","9","12","2341","2343","10.1021/ol070703m","","","0.71073","MoKα","","0.1927","0.0427","","","0.0701","0.0943","","","","","","0.792","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505925","18.1743","0.0016","14.9401","0.0013","17.2589","0.0015","90","","95.7046","0.0012","90","","4663","0.7","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C29 H23 Cl3 -","- C29 H23 Cl3 -","- C232 H184 Cl24 -","8","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.0581","0.0401","","","0.101","0.1117","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506356","23.951","0.002","7.8455","0.0013","32.732","0.003","90","","110.353","0.008","90","","5766.6","1.2","140","2","140","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","cis,cis,trans-diamminedichlorobis(4-vinylbenzoyl)platinum(IV)","","- C26 H36 Cl2 N2 O6 Pt -","- C26 H36 Cl2 N2 O6 Pt -","- C208 H288 Cl16 N16 O48 Pt8 -","8","1","","Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J.","Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake.","Journal of medicinal chemistry","2005","48","25","8060","8069","10.1021/jm0506468","","","0.71073","MoKα","","0.0703","0.0537","","","0.1116","0.1172","","","","","","1.162","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506572","10.687","0.002","7.678","0.0015","28.81","0.006","90","","96.29","0.03","90","","2349.8","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H19 N O4 -","- C12 H19 N O4 -","- C96 H152 N8 O32 -","8","1","","Giorgi, Giorgio; Miranda, Sonia; López-Alvarado, Pilar; Avendaño, Carmen; Rodriguez, Jean; Menéndez, J Carlos","Unique Michael addition-initiated domino reaction for the stereoselective synthesis of functionalized macrolactones from alpha-nitroketones in water.","Organic letters","2005","7","11","2197","2200","10.1021/ol0505860","","","1.5418","CuKα","","0.2185","0.0919","","0.2781","0.1988","","","","1.076","1.529","1.529","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507422","8.4221","0.0013","11.5766","0.0016","18.42","0.003","90","","93.263","0.012","90","","1793","0.5","143","2","143","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H12 F6 O8 S4 Sr -","- C6 H12 F6 O8 S4 Sr -","- C24 H48 F24 O32 S16 Sr4 -","4","0.5","","Moreau, Gilles; Scopelliti, Rosario; Helm, Lothar; Purans, Juris; Merbach, André E.","Solution X-ray Absorption Fine Structure Study of the Eu2+and Sr2+Ions: Unexpected Solvent and Metal Ion Dependencies of the Solvation Numbers","The Journal of Physical Chemistry A","2002","106","41","9612","","10.1021/jp026061w","","","0.71073","MoKα","","0.1036","0.0919","","","0.2559","0.2626","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507858","22.784","0.003","11.0292","0.0013","29.49","0.005","90","","104.934","0.001","90","","7160.2","1.8","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","12081s","","","- C35 H34 N2 O4 S2 -","- C35 H34 N2 O4 S2 -","- C280 H272 N16 O32 S16 -","8","1","","DeKorver, Kyle A.; Hsung, Richard P.; Song, Wang-Ze; Wang, Xiao-Na; Walton, Mary C.","An intramolecular [2 + 2] cycloaddition of ketenimines via palladium-catalyzed rearrangements of N-allyl-ynamides.","Organic letters","2012","14","12","3214","3217","10.1021/ol3013233","","","0.71073","MoKα","","0.0683","0.0485","","","0.1299","0.1397","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508070","28.5423","0.0002","22.2297","0.0001","28.8082","0.0002","90","","112.759","0.001","90","","16855.3","0.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C96 H55 N3 O14 S2 -","- C96 H55 N3 O14 S2 -","- C768 H440 N24 O112 S16 -","8","1","","Zhu, Zhixue; Cardin, Christine J.; Gan, Yu; Colquhoun, Howard M.","Sequence-selective assembly of tweezer molecules on linear templates enables frameshift-reading of sequence information.","Nature chemistry","2010","2","8","653","660","10.1038/nchem.699","","","1.54184","CuKα","","0.1076","0.0935","","","0.2996","0.3175","","","","","","1.265","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508141","19.59","0.004","22.495","0.005","20.59","0.004","90","","105.26","0.03","90","","8754","3","163","2","163","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","ndsw114xs","nds114xs","","- C72 H82 Au2 Cl2 O4 P2 -","- C72 H82 Au2 Cl2 O4 P2 -","- C288 H328 Au8 Cl8 O16 P8 -","4","0.5","","de Silva, Namal; Ha, Jeong-Myeong; Solovyov, Andrew; Nigra, Michael M.; Ogino, Isao; Yeh, Sheila W.; Durkin, Kathleen A.; Katz, Alexander","A bioinspired approach for controlling accessibility in calix[4]arene-bound metal cluster catalysts.","Nature chemistry","2010","2","12","1062","1068","10.1038/nchem.860","","","0.71073","MoKα","","0.039","0.0281","","","0.0715","0.0739","","","","","","1.061","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1509466","23.05","","4.831","","22.935","","90","","90.42","","90","","2553.85","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ag (Mo5 P8 O33)","","- Ag Mo5 O33 P8 -","- Ag Mo5 O33 P8 -","- Ag4 Mo20 O132 P32 -","4","0.5","","Goshorn, D.P.; Lii, K.-H.; Johnston, D.C.; Haushalter, R.C.","Crystal structure and magnetic properties of a new molybdenophosphate: Ag Mo5 P8 O33","Journal of Solid State Chemistry","1987","71","","131","138","10.1016/0022-4596(87)90151-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510813","12.414","","7.314","","14.092","","90","","107.3","","90","","1221.61","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Rb2 (B2 (Se2)3 Se)","","- B2 Rb2 Se7 -","- B2 Rb2 Se7 -","- B8 Rb8 Se28 -","4","0.5","","Krebs, B.; Hammerschmidt, A.; Jansen, C.; Pruss, T.; Kuchinke, J.; Kueper, J.; Koester, C.; Lindemann, A.; Doech, M.","Syntheses and crystal structures of Rb2 B2 Se7, Tl2 B2 Se7, Cs3 B3 Se10, and Tl3 B3 Se10: new perseleno-selenoborates with polymeric anionic chains","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","419","425","10.1002/1521-3749(200103)627:3<419::AID-ZAAC419>3.0.CO;2-Z","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510832","11.878","","7.0909","","13.998","","90","","108.37","","90","","1118.91","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Tl2 (B2 (Se2)3 Se)","","- B2 Se7 Tl2 -","- B2 Se7 Tl2 -","- B8 Se28 Tl8 -","4","0.5","","Krebs, B.; Doech, M.; Kueper, J.; Hammerschmidt, A.; Koester, C.; Lindemann, A.; Jansen, C.; Kuchinke, J.; Pruss, T.","Syntheses and crystal structures of Rb2 B2 Se7, Tl2 B2 Se7, Cs3 B3 Se10, and Tl3 B3 Se10: New perseleno-selenoborates with polymeric anionic chains","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","419","425","10.1002/1521-3749(200103)627:3<419::AID-ZAAC419>3.0.CO;2-Z","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510925","7.956","","8.161","","6.499","","90","","93.63","","90","","421.126","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","La (B3 O6)","","- B3 La O6 -","- B3 La O6 -","- B12 La4 O24 -","4","0.5","","Hoffmann, W.; Ysker, J.S.","Die Kristallstruktur des La B3 O6","Naturwissenschaften","1970","57","","129","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511391","17.0662","","4.48009","","19.4223","","90","","102.907","","90","","1447.47","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Na2 Ni2 B12 O21","","- B12 Na2 Ni2 O21 -","- B12 Na2 Ni2 O21 -","- B48 Na8 Ni8 O84 -","4","0.5","","Albert, B.; Pompetzki, M.","Ein ionenleitendes Natriumnickelborat: Na2 Ni2 B12 O21","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2550","2553","10.1002/zaac.200400341","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512376","18.6916","0.0012","5.7783","0.0005","33.895","0.002","90","","102.828","0.007","90","","3569.5","0.4","180","2","180.15","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 O -","- C26 H18 O -","- C208 H144 O8 -","8","1","","Liu, Zhenxing; Xia, Ying; Zhou, Shiyi; Wang, Long; Zhang, Yan; Wang, Jianbo","Pd-Catalyzed Cyclization and Carbene Migratory Insertion: New Approach to 3-Vinylindoles and 3-Vinylbenzofurans.","Organic letters","2013","15","19","5032","5035","10.1021/ol402368h","","","0.7107","MoKα","","0.0592","0.0434","","","0.1033","0.1128","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512754","18.889","0.002","9.8572","0.0008","21.208","0.003","90","","112.074","0.013","90","","3659.3","0.8","130","2","130","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H36 Fe O3 P2 S2 -","- C38 H28 Fe O2 P2 S2 -","- C152 H112 Fe4 O8 P8 S8 -","4","0.5","","Ana-Maria Valean; Santiago Gomez-Ruiz; Alexandru Lupan; Radu Silaghi-Dumitrescu; Luminita Silaghi-Dumitrescu; Evamarie Hey-Hawkins","Phosphinoarylthiolato molybdenum and iron complexes [M{(SC6H4-2-PPh2)-k2S,P}2(CO)2] (M = Mo, Fe): Analogous composition - Different structure","Inorganica Chimica Acta","2013","394","","289","294","10.1016/j.ica.2012.05.041","","","0.71073","MoKα","","0.0886","0.0414","","","0.1105","0.1233","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512851","24.584","0.003","9.2487","0.0004","36.028","0.002","90","","98.297","0.006","90","","8105.9","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H21 N2 O2 P -","- C22 H21 N2 O2 P -","- C352 H336 N32 O32 P16 -","16","2","","Milica Milenkovic; Alessia Bacchi; Giulia Cantoni; Sinisa Radulovic; Nevenka Gligorijevic; Sandra Arandelovic; Dusan Sladic; Miroslava Vujcic; Dragana Mitic; Katarina Andelkovic","Synthesis, characterisation and biological activity of Co(III) complex with the condensation product of 2-(diphenylphosphino)benzaldehyde and ethyl carbazate","Inorganica Chimica Acta","2013","395","","33","43","10.1016/j.ica.2012.09.043","","","1.54178","CuKα","","0.0452","0.0425","","","0.1219","0.1247","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514149","24.9411","0.0013","11.4329","0.0004","26.1884","0.0009","90","","116.585","0.002","90","","6678.1","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C30.5 H27 Co F6 N6 O6 S2 -","- C30.5 H27 Co F6 N6 O6 S2 -","- C244 H216 Co8 F48 N48 O48 S16 -","8","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.1204","0.061","","","0.1393","0.1675","","","","","","1.027","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514386","14.0731","0.0002","11.5359","0.0002","31.2056","0.0004","90","","93.7226","0.0005","90","","5055.41","0.13","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H18 B Cl3 F2 N4 -","- C28.5 H18 B Cl3 F2 N4 -","- C228 H144 B8 Cl24 F16 N32 -","8","1","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","1.54178","CuKα","","0.0355","0.0335","","","0.0989","0.1009","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514981","22.814","0.0008","16.6711","0.0007","23.2989","0.0014","90","","92.135","0.002","90","","8855.2","0.7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C47 H60 Co O9.75 Pt S4 -","- C28 H22 Co O5 Pt S4 -","- C224 H176 Co8 O40 Pt8 S32 -","8","1","","Dahl, Eric W.; Baddour, Frederick G.; Fiedler, Stephanie R.; Hoffert, Wesley A.; Shores, Matthew P.; Yee, Gordon T.; Djukic, Jean-Pierre; Bacon, Jeffrey W.; Rheingold, Arnold L.; Doerrer, Linda H.","Antiferromagnetic coupling across a tetrametallic unit through noncovalent interactions","Chemical Science","2012","3","2","602","","10.1039/c1sc00608h","","","1.54184","CuKα","","0.0434","0.034","","","0.0964","0.1003","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515260","23.1428","0.0013","17.9913","0.001","27.126","0.002","90","","97.895","0.001","90","","11187.4","1.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C104 H118 N22 O20 -","- C104 H118 N22 O20 -","- C416 H472 N88 O80 -","4","0.5","","Vollrath, Sidonie B. L.; Bräse, Stefan; Kirshenbaum, Kent","Twice tied tight: Enforcing conformational order in bicyclic peptoid oligomers","Chemical Science","2012","3","9","2726","","10.1039/c2sc20473h","","","0.71073","MoKα","","0.1217","0.0783","","","0.2038","0.218","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515464","16.7865","0.0017","9.2933","0.0006","36.414","0.005","90","","91.02","0.012","90","","5679.8","1","173","2","173","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C42 H28 -","- C42 H28 -","- C336 H224 -","8","1","","Zhao, Zujin; Lu, Ping; Lam, Jacky W. Y.; Wang, Zhiming; Chan, Carrie Y. K.; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Tang, Ben Zhong","Molecular anchors in the solid state: Restriction of intramolecular rotation boosts emission efficiency of luminogen aggregates to unity","Chemical Science","2011","2","4","672","","10.1039/c0sc00521e","","","1.54178","CuKα","","0.1435","0.0553","","","0.0946","0.1135","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515993","24.2504","0.0002","8.1885","0.0001","21.5299","0.0003","90","","110.491","0.001","90","","4004.78","0.09","110","2","110","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C29 H20 O -","- C29 H20 O -","- C232 H160 O8 -","8","1","","Pal, Rumpa; Mukherjee, Somnath; Chandrasekhar, S.; Guru Row, T. N.","Exploring cyclopentadienone antiaromaticity: charge density studies of various tetracyclones.","The journal of physical chemistry. A","2014","118","19","3479","3489","10.1021/jp5010924","","x-ray","0.71073","MoKα","","0.051","0.028","","","","0.058","","","","","","1.272","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516731","11.247","0.002","15.014","0.002","25.636","0.005","90","","102.346","0.008","90","","4228.8","1.3","293","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H15 Cr O5 P -","- C23 H15 Cr O5 P -","- C184 H120 Cr8 O40 P8 -","8","1","","Ndiaye, Bassirou; Bhat, Shrinivasa; Jouaiti, Abdelaziz; Berclaz, Théo; Bernardinelli, Gérald; Geoffroy, Michel","EPR and DFT studies of the structure of phosphinyl radicals complexed by a pentacarbonyl transition metal.","The journal of physical chemistry. A","2006","110","31","9736","9742","10.1021/jp061960w","","","0.71073","MoKα","","","0.041","","","","0.038","","","","","","1.46","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518310","13.4109","0.0002","16.2568","0.0004","27.9028","0.0006","90","","98.984","0.002","90","","6008.7","0.2","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H28 Ba3 O26 -","- C12 Ba3 O26 -","- C96 Ba24 O208 -","8","1","","Boon, Matthew P.; Freeman, Sandra; Ogden, Mark I.; Oliveira, Allan; Richmond, William R.; Skelton, Brian W.; Jones, Franca","The many roles of mellitic acid during barium sulfate crystallization.","Faraday discussions","2015","179","","343","357","10.1039/c4fd00211c","","","0.71073","MoKα","","0.1026","0.0611","","","0.1561","0.1681","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518313","24.007","0.0011","14.6606","0.0012","26.57","0.0012","90","","92.563","0.004","90","","9342.1","1","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C72 H68 F24 N26 O2 P4 Ru2 -","- C72 H68 F24 N26 O2 P4 Ru2 -","- C288 H272 F96 N104 O8 P16 Ru8 -","4","0.5","","Kumar, Sreedhar V.; Lo, Warrick K.C.; Brooks, Heather J.L.; Crowley, James D.","Synthesis, structure, stability and antimicrobial activity of a ruthenium(II) helicate derived from a bis-bidentate ""click"" pyridyl-1,2,3-triazole ligand","Inorganica Chimica Acta","2015","425","","1","6","10.1016/j.ica.2014.10.011","","","1.5418","CuKα","","0.1439","0.0958","","","0.2509","0.2875","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518507","17.366","0.003","9.4565","0.0013","21.295","0.003","90","","109.08","0.003","90","","3305","0.9","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Se(IPrCl)]","","- C27 H34 Cl2 N2 Se -","- C27 H34 Cl2 N2 Se -","- C108 H136 Cl8 N8 Se4 -","4","0.5","","Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gómez-Suárez, Adrián; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi","What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?","Chem. Sci.","2015","6","3","1895","","10.1039/C4SC03264K","","","0.71075","MoKα","","0.0662","0.0612","","","0.224","0.2293","","","","","","1.208","","","","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",""
"1518970","19.8215","0.0008","44.837","0.0012","19.874","0.0005","90","","106.727","0.003","90","","16915.4","1","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","Ru(tbp)2tpphzRu","","","- C143.5 H198 F24 N14 O5.5 P4 Ru2 -","- C116 H132 F24 N14 P4 Ru2 -","- C464 H528 F96 N56 P16 Ru8 -","4","0.5","","Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.","Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular ""Fingerhakel"".","Dalton transactions (Cambridge, England : 2003)","2015","44","19","8889","8905","10.1039/c5dt00214a","","x-ray","1.54178","CuKα","","0.0926","0.0658","","","0.1932","0.2178","","","","","","1.062","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1519074","13.692","0.003","7.7183","0.0015","16.391","0.003","90","","99.47","0.03","90","","1708.6","0.6","","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C18 H6 Cl4 N4 -","- C18 Cl4 N4 -","- C72 Cl16 N16 -","4","0.5","","Andresen, Thomas L.; Krebs, Frederik C.; Larsen, Mogens; Thorup, Niels","Crystal Structure of Three Compounds Related to Triphenylene and Tetracyanoquinodimethane","Acta Chemica Scandinavica","1999","53","","410","416","","","x-ray","0.71069","MoKα","","","0.0846","","","0.2285","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519127","26.129","0.009","12.714","0.005","28.369","0.007","90","","116.96","0.03","90","","8400","5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C58 H38 F48 Gd4 O27 -","- C58 H26 F48 Gd4 O27 -","- C232 H104 F192 Gd16 O108 -","4","0.5","","Underhill, Allan E.; Hursthouse, Michael B.; Malik, K.M. Abdul","C40H18F48Gd4O26, 3(C6H6), H2O","Crystal Structure Report Archive","1993","","","1185","","","","","0.71069","MoKα","","0.0787","0.0401","","","0.1054","0.154","","","","","","0.462","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519380","5.7265","0.0002","14.7681","0.0006","14.6482","0.0006","90","","96.59","0.004","90","","1230.61","0.08","173","0.1","173","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[bis(pyridine)silver]nitrate","","- C10 H12 Ag N3 O4 -","- C10 H12 Ag N3 O4 -","- C40 H48 Ag4 N12 O16 -","4","0.5","","Bedin, Michele; Karim, Alavi; Reitti, Marcus; Carlsson, Anna-Carin C.; Topić, Filip; Cetina, Mario; Pan, Fangfang; Havel, Vaclav; Al-Ameri, Fatima; Sindelar, Vladimir; Rissanen, Kari; Gräfenstein, Jürgen; Erdélyi, Máté","Counterion influence on the N‒I‒N halogen bond","Chem. Sci.","2015","6","7","3746","","10.1039/C5SC01053E","","","0.71073","MoKα","","0.0195","0.0179","","","0.0404","0.0415","","","","","","1.097","","","","has coordinates","143323","2020-10-21","18:00:00",""
"1520715","15.181","0.006","15.559","0.005","23.696","0.007","90","","105.016","0.018","90","","5406","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","racemic L1","","- C28 H28 N2 O4 S4 -","- C28 H28 N2 O4 S4 -","- C224 H224 N16 O32 S32 -","8","1","","Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin","Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach","Chem. Sci.","2015","6","10","5491","","10.1039/C5SC01636C","","","0.71073","MoKα","","0.0521","0.0431","","","0.108","0.1127","","","","","","1.06","","","","has coordinates","170948","2020-10-21","18:00:00",""
"1520794","9.8799","","10.2801","","9.8764","","90","","90.113","","90","","1003.11","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ca2.89 (Al5.84 Si10.16 O32) (H2 O)16.32","","- Al5.84 Ca2.89 H32.64 O48.32 Si10.16 -","- Al5.84 Ca2.88 O48.32 Si10.16 -","- Al5.84 Ca2.88 O48.32 Si10.16 -","1","0.125","","Artioli, G.; Marchi, M.","On the space group of garronite","Powder Diffraction","1999","14","","190","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521120","23.77","","5.1036","","18.1","","90","","94.491","","90","","2189.02","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(C (N H2)3)2 (Zn4 (H P O4)5)","","- C2 H17 N6 O20 P5 Zn4 -","- C2 N6 O20 P5 Zn4 -","- C8 N24 O80 P20 Zn16 -","4","0.5","","Harrison, W.T.A.; Phillips, M.L.F.; Teat, S.J.; Clegg, W.","(C N3 H6)2 . Zn4 H5 (P O4)5, a new layered guanidinium zinc phosphate built up from 3-, 4-, and 8-ring units","Journal of Solid State Chemistry","1999","148","","433","437","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521948","7.6855","","5.4347","","5.4243","","90","","90.221","","90","","226.563","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","La0.83 (La0.07 Ti0.465 Al0.465) O2.9","","- Al0.465 La0.9 O2.9 Ti0.465 -","- Al0.465 La0.901 O2.9 Ti0.465 -","- Al1.86 La3.604 O11.6 Ti1.86 -","4","0.5","","Slater, P.R.; Irvine, J.T.S.","Synthesis and structure of a new perovskite phase in the La Ti - Al - O system","Journal of Solid State Chemistry","1999","146","","437","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524106","22.783","","8.745","","16.066","","90","","96.705","","90","","3179.05","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ca2 (B3 O3 (O H)4 O B (O H)3) Cl (H2 O)7","","- B4 Ca2 Cl H21 O18 -","- B4 Ca2 Cl H21 O18 -","- B32 Ca16 Cl8 H168 O144 -","8","1","","Brown, G.E.; Clark, J.R.","Crystal structure of hydrochlorborite, Ca2 ( B3 O3 (O H)4 O B (O H)3 ) Cl (H2 O)7, a seasonal evaporite mineral","American Mineralogist","1978","63","","814","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526832","5.1162","","11.1352","","5.3946","","90","","94.616","","90","","306.333","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Eu0.6 Nb O3.4 -","- Eu0.6 Nb O3.4 -","- Eu2.4 Nb4 O13.6 -","4","0.5","","Toda, K.; Honda, M.; Ishimoto, Y.; Ye, Z.-G.; Sato, M.","Oxygen defect in non-stoichiometric europium orthoniobate, Eux Nb O4-1.5(1-x)","Solid State Ionics","2000","136","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526833","5.1162","","11.1347","","5.3965","","90","","94.603","","90","","306.433","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Eu0.5 Nb O3.25 -","- Eu0.5 Nb O3.25 -","- Eu2 Nb4 O13 -","4","0.5","","Toda, K.; Honda, M.; Ishimoto, Y.; Sato, M.; Ye, Z.-G.","Oxygen defect in non-stoichiometric europium orthoniobate, Eux Nb O4-1.5(1-x)","Solid State Ionics","2000","136","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526835","5.1178","","11.1384","","5.398","","90","","94.614","","90","","306.711","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Eu0.45 Nb O3.175 -","- Eu0.45 Nb O3.1748 -","- Eu1.8 Nb4 O12.6992 -","4","0.5","","Toda, K.; Sato, M.; Honda, M.; Ishimoto, Y.; Ye, Z.-G.","Oxygen defect in non-stoichiometric europium orthoniobate, Eux Nb O4-1.5(1-x)","Solid State Ionics","2000","136","","25","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528597","7.8106","","5.585","","5.5097","","90","","90.37","","90","","240.34","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(La0.89 Sr0.11) (Ga0.56 Mg0.24 Fe0.20) O2.80","","- Fe0.2 Ga0.56 La0.89 Mg0.24 O2.8 Sr0.11 -","- Fe0.2 Ga0.56 La0.89 Mg0.24 O2.8 Sr0.11 -","- Fe0.8 Ga2.24 La3.56 Mg0.96 O11.2 Sr0.44 -","4","0.5","","Ivanov, S.A.; Kaleva, G.M.; Eriksson, S.; Aleksandrovskii, V.V.; Politova, E.D.","Specific features of the structure and weight loss of aliovalent-substituted oxides based on lanthanum gallate (La, Sr) (Ga, Fe, Mg) O(3-y)","Kristallografiya","2006","51","","241","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1528665","9.071","","11.813","","13.659","","90","","101.41","","90","","1434.71","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Sr (Pb Cl3)2 (H2 O)5","","- Cl6 H10 O5 Pb2 Sr -","- Cl6 H10 O5 Pb2 Sr -","- Cl24 H40 O20 Pb8 Sr4 -","4","0.5","","Abraham, I.; Benoit, D.M.; Demetriou, D.Z.; Mustarde, K.; Vordemvenne, E.","Lone pair effects in trihalo-stannate and -plumbate anions in the crystal structures of Sr(MX3)(2) center dot 5H(2)O(M = Sn, X = Cl, Br; M = Pb, X = Br)","Polyhedron","2006","25","","996","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528779","5.1947","","11.50069","","5.56301","","90","","94.222","","90","","331.447","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- Ce0.21 La0.79 Nb O3.872 -","- Ce0.21 La0.79 Nb O3.872 -","- Ce0.84 La3.16 Nb4 O15.488 -","4","0.5","","Packer, R.J.; Stuart, P.A.; Skinner, S.J.","Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid solutions series: in-situ high-temperature powder diffraction studies","Journal of Solid State Chemistry","2008","181","","1445","1455","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528781","5.5403","","11.4354","","5.1744","","90","","94.396","","90","","326.863","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- Ce0.77 La0.23 Nb O3.82 -","- Ce0.77 La0.23 Nb O3.82 -","- Ce3.08 La0.92 Nb4 O15.28 -","4","0.5","","Packer, R.J.; Skinner, S.J.; Stuart, P.A.","Structural characterisation of the Ce(1-x) La(x) Nb O(4+delta) solid solutions series: in-situ high-temperature powder diffraction studies","Journal of Solid State Chemistry","2008","181","","1445","1455","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529350","11.4371","0.0003","13.3473","0.0003","22.4306","0.0007","90","","101.301","0.001","90","","3357.74","0.16","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 Br F3 N2 O2 S -","- C16 H10 Br F3 N2 O2 S -","- C128 H80 Br8 F24 N16 O16 S8 -","8","1","","Lee, Eunsook; Ryu, Taekyu; Shin, Eunji; Son, Jeong-Yu; Choi, Wonseok; Lee, Phil Ho","Synthesis of 2-bromoimidazoles from alkynes, N-sulfonylazides, and bromocyanides.","Organic letters","2015","17","10","2470","2473","10.1021/acs.orglett.5b00977","","","0.71073","MoKα","","0.0926","0.0665","","","0.1674","0.1872","","","","","","1.043","","","","has coordinates","152782","2020-10-21","18:00:00",""
"1531238","7.7758","","5.3981","","5.3975","","90","","90","","90","","226.558","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(Pr0.6 Sr0.4) (Mn O3)","","- Mn O3 Pr0.6 Sr0.4 -","- Mn O3 Pr0.6 Sr0.4 -","- Mn4 O12 Pr2.4 Sr1.6 -","4","0.5","","Boujelben, W.; Ellouze, M.; Cheikhrouhou, A.; Pierre, J.; Cai, Q.; Yelon, W.B.; Shimizu, K.; Dubourdieu, C.","Neutron diffraction, NMR and magneto-transport properties in the Pr0.6 Sr0.4 Mn O3 perovskite manganite","Journal of Alloys Compd.","2002","334","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531438","5.0416","","10.4174","","4.7808","","90","","95.279","","90","","250.024","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Y Li F4","","- F4 Li Y -","- F4 Li Y -","- F16 Li4 Y4 -","4","0.5","","Grzechnik, A.; Syassen, K.; Hanfland, M.; Loa, I.; Gesland, J.Y.","Scheelite to fergusonite phase transition in Y Li F4 at high pressures","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2002","65","","104102-1","104102-6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531601","10.772","","7.336","","10.447","","90","","102.09","","90","","807.246","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(N H3 O H)2 (Si F6) (H2 O)2","","- F6 H12 N2 O4 Si -","- F6 H12 N2 O4 Si -","- F24 H48 N8 O16 Si4 -","4","0.5","","Kristl, M.; Drofenik, M.; Golic, L.","Synthesis and structure of hydroxylammonium fluorosilicates","Acta Chimica Slovenica","2002","49","","243","250","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532125","7.2727","","5.0027","","5.5432","","90","","96.762","","90","","200.276","","","","","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","V2 O3","","- O3 V2 -","- O3 V2 -","- O12 V8 -","4","0.5","","Rozier, P.; Ratuszna, A.; Galy, J.","Comparative structural and electrical studies of V2 O3 and V2-x Nix O3 (0 < x < 0.75) solid solution","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1236","1242","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1532185","7.8227","","5.5555","","5.5208","","90","","90.035","","90","","239.928","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(La0.95 Sr0.05) (Ga0.87 Mg0.13) O2.74","","- Ga0.87 La0.95 Mg0.13 O2.74 Sr0.05 -","- Ga0.87 La0.95 Mg0.13 O2.74 Sr0.05 -","- Ga3.48 La3.8 Mg0.52 O10.96 Sr0.2 -","4","0.5","","Vasylechko, L.; Knapp, M.; Savytskii, D.; Vashook, V.; Matkovskii, A.; Niewa, R.; Ullmann, H.; Senyshin, A.; Berkowski, M.; Bismayer, U.","Crystal structure, thermal expansion and conductivity of anisotropic La1-x Srx Ga1-2x Mg2x O3-y (x = 0.05, 0.1) single crystals","Journal of Solid State Chemistry","2003","172","","396","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533306","13.197","","10.237","","8.509","","90","","101.29","","90","","1127.3","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Ba2 Al D7","","- Al Ba2 D7 -","- Al Ba2 D7 -","- Al8 Ba16 D56 -","8","1","","Zhang, Q.-A.; Akiba, E.; Nakamura, Y.; Kamiyama, T.; Oikawa, K.","Hydrogen-induced phase decomposition of Ba7 Al13 and the crystal structure of Ba2 Al H7","Journal of Alloys Compd.","2003","361","","180","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533441","13.666","","13.623","","13.531","","90","","90.5","","90","","2519","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ca0.959 (Al2 Si4 O12) (H2 O)1.82","","- Al2 Ca0.959 H3.64 O13.82 Si4 -","- Al2 Ca0.959 O13.82 Si4 -","- Al16 Ca7.672 O110.56 Si32 -","8","1","","Seryotkin, Y.V.; Belitsky, I.A.; Joswig, W.; Bakakin, V.V.; Fursenko, B.A.","High-temperature crystal structure of wairakite","European Journal of Mineralogy (1,1989-)","2003","15","","475","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533584","7.2741","","5.0053","","5.5514","","90","","96.779","","90","","200.708","","","","","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","V2 O3","","- O3 V2 -","- O3 V2 -","- O12 V8 -","4","0.5","","Tenailleau, C.; Suard, E.; Rodriguez-Carvajal, J.; Gibaud, A.; Lacorre, P.","Effect of doping and temperature on the crystal structure of (V1-x Mox)2 O3 above and below the metal/insulator transition","Journal of Solid State Chemistry","2003","174","","431","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533587","7.2868","","4.9974","","5.559","","90","","96.926","","90","","200.954","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(V0.97 Mo0.03)2 O3","","- Mo0.06 O3 V1.94 -","- Mo0.06 O3 V1.94 -","- Mo0.24 O12 V7.76 -","4","0.5","","Tenailleau, C.; Suard, E.; Rodriguez-Carvajal, J.; Gibaud, A.; Lacorre, P.","Effect of doping and temperature on the crystal structure of (V1-x Mox)2 O3 above and below the metal/insulator transition","Journal of Solid State Chemistry","2003","174","","431","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533590","7.3039","","4.9875","","5.5646","","90","","97.141","","90","","201.136","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(V0.95 Mo0.05)2 O3","","- Mo0.1 O3 V1.9 -","- Mo0.1 O3 V1.9 -","- Mo0.4 O12 V7.6 -","4","0.5","","Tenailleau, C.; Suard, E.; Rodriguez-Carvajal, J.; Gibaud, A.; Lacorre, P.","Effect of doping and temperature on the crystal structure of (V1-x Mox)2 O3 above and below the metal/insulator transition","Journal of Solid State Chemistry","2003","174","","431","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533633","5.3611","","5.4316","","7.6318","","90","","91.056","","90","","222.195","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","La (Co O3)","","- Co La O3 -","- Co La O3 -","- Co4 La4 O12 -","4","0.5","","Haas, O.; Struis, R.P.W.J.; McBreen, J.M.","Synchrotron X-ray absorption of La Co O3 perovskite","Journal of Solid State Chemistry","2004","177","","1000","1010","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534521","7.4231","","14.852","","8.623","","90","","101.073","","90","","932.969","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Sr (La I4)","","- I4 La Sr -","- I4 La Sr -","- I16 La4 Sr4 -","4","0.5","","Gerlitzki, N.; Meyer, G.","Action of alkaline earth metals on lanthanum triiodide: unusually short La-La distances in Sr La I4 and Ba La I4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","915","916","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534525","7.4142","","15.04","","8.9681","","90","","102.28","","90","","977.148","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Ba (La I4)","","- Ba I4 La -","- Ba I4 La -","- Ba4 I16 La4 -","4","0.5","","Gerlitzki, N.; Meyer, G.","Action of alkaline earth metals on lanthanum triiodide: unusually short La-La distances in Sr La I4 and Ba La I4","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","915","916","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534528","7.3552","","14.776","","8.638","","90","","101.36","","90","","920.39","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Nd Ce I4","","- Ce I4 Nd -","- Ce I4 Nd -","- Ce4 I16 Nd4 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534532","7.4031","","14.804","","8.6583","","90","","101.5","","90","","929.861","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Nd La I4","","- I4 La Nd -","- I4 La Nd -","- I16 La4 Nd4 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534535","7.3625","","14.728","","8.5606","","90","","101.126","","90","","910.821","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Sm Ce I4","","- Ce I4 Sm -","- Ce I4 Sm -","- Ce4 I16 Sm4 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534537","7.4226","","14.786","","8.5969","","90","","101.012","","90","","926.142","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Sm La I4","","- I4 La Sm -","- I4 La Sm -","- I16 La4 Sm4 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534541","7.3581","","14.783","","8.602","","90","","101.25","","90","","917.702","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Sr Ce I4","","- Ce I4 Sr -","- Ce I4 Sr -","- Ce4 I16 Sr4 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1534545","7.352","","14.98","","8.936","","90","","102.381","","90","","961.26","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Ba Ce I4 -","- Ba Ce I4 -","- Ba4 Ce4 I16 -","4","0.5","","Gerlitzki, N.; Hammerich, S.; Meyer, G.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534549","7.394","","14.791","","8.548","","90","","101.15","","90","","917.203","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Eu La I4","","- Eu I4 La -","- Eu I4 La -","- Eu4 I16 La4 -","4","0.5","","Gerlitzki, N.; Meyer, G.; Hammerich, S.","New ternary iodides of lanthanum and cerium, A(II) M I4 (A = Sr, Ba, Nd, Sm, Eu; M = La, Ge)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","2431","2433","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1536037","10.868","","9.063","","17.557","","90","","103.2","","90","","1683.62","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Cs2 (La (N O3)5 (H2 O)2)","","- Cs2 H4 La N5 O17 -","- Cs2 La N5 O17 -","- Cs8 La4 N20 O68 -","4","0.5","","Vigdorchik, A.G.; Malinovskii, Yu.A.; Dryuchko, A.G.","Preparation and crystal structure of cesium-lanthanum nitrate Cs2: La (N O3)5 (H2 O)2:","Kristallografiya","1990","35","","1395","1398","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1536635","13.6154","","12.1589","","31.084","","90","","97.916","","90","","5096.87","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Cs2 (B10 Br10) (H2 O)1.83","","- B10 Br10 Cs2 H3.66 O1.83 -","- B10 Br10 Cs2 H3.66 O1.83 -","- B80 Br80 Cs16 H29.28 O14.64 -","8","1","","Einholz, W.; Vaas, K.; Wieloch, C.; Wizemann, T.; Speiser, B.; Meyer, H.J.; Stroebele, M.","Chemische und cyclovoltammetrische Untersuchung der Redoxreaktionen der Decahalogendecaborate closo-(B10 X10)(2-) und hypercloso-(B10 X10)(-) (X = Cl, Br). Kristallstrukturanalyse von Cs2 (B10 Br10) * 2(H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","258","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1536967","13.05","","21.6506","","12.9512","","90","","93.275","","90","","3653.26","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Pr2 (H3 O) (H4 I O6) (I2 O10) (H2 O)5","","- H17 I3 O22 Pr2 -","- I3 O22 Pr2 -","- I24 O176 Pr16 -","8","1","","Fischer, A.","Synthesis and structure of Ln2 (H4 I O6) (I2 O10) * (H3 O) * 5(H2 O) (Ln= Pr, Nd, Sm), a lanthanide periodate diperiodate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","335","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1536970","13.022","","21.6112","","12.9223","","90","","93.5309","","90","","3629.7","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Nd2 (H3 O) (H4 I O6) (I2 O10) (H2 O)5","","- H17 I3 Nd2 O22 -","- I3 Nd2 O22 -","- I24 Nd16 O176 -","8","1","","Fischer, A.","Synthesis and structure of Ln2 (H4 I O6) (I2 O10) * (H3 O) * 5(H2 O) (Ln = Pr, Nd, Sm), a lanthanide periodate diperiodate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","335","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1536973","12.9488","","21.4665","","12.8573","","90","","93.5238","","90","","3567.13","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Sm2 (H3 O) (H4 I O6) (I2 O10) (H2 O)5","","- H17 I3 O22 Sm2 -","- I3 O22 Sm2 -","- I24 O176 Sm16 -","8","1","","Fischer, A.","Synthesis and structure of Ln2 (H4 I O6) (I2 O10) * (H3 O) * 5(H2 O) (Ln = Pr, Nd, Sm), a lanthanide periodate diperiodate","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","335","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"1541224","10.475","","6.462","","13.08","","90","","105.57","","90","","852.888","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","((N2 H5)2 H) (Ga F6) (H2 O)2","","- F6 Ga H15 N4 O2 -","- F6 Ga H15 N4 O2 -","- F24 Ga4 H60 N16 O8 -","4","0.5","","Meden, A.; Golic, L.; Siftar, J.","Structure of dihydrazinium hexafluorogallate dihydrate","Documenta Chemica Yugoslavica. Vestnik Slovenskega Kemijskega Drustva","1992","39","","319","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542007","10.41","","6.721","","12.49","","90","","102.65","","90","","852.658","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Y2 (Si O4) O","","- O5 Si Y2 -","- O5 Si Y2 -","- O40 Si8 Y16 -","8","1","","Maksimov, B.A.; Ilyukhin, V.V.; Kharitonov, Yu.A.; Belov, N.V.","Crystal structure of yttrium oxyorthosilicate Y2 O3 Si O2 and Y2 Si O5. Dual function of yttrium","Kristallografiya","1970","15","","926","933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542693","18.3718","0.0011","5.6809","0.0003","40.089","0.003","90","","100.975","0.006","90","","4107.5","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 F3 N O -","- C26 H20 F3 N O -","- C208 H160 F24 N8 O8 -","8","1","","Gao, Fei; Yang, Chao; Ma, Na; Gao, Guo-Lin; Li, Dazhi; Xia, Wujiong","Visible-Light-Mediated 1,7-Enyne Bicyclizations for Synthesis of Cyclopenta[c]quinolines and Benzo[j]phenanthridines.","Organic letters","2016","18","3","600","603","10.1021/acs.orglett.5b03662","","x-ray","0.71073","MoKα","","0.0892","0.0589","","","0.132","0.1504","","","","","","1.048","","","","has coordinates","177342","2020-10-21","18:00:00",""
"1542848","22.638","0.005","7.2553","0.0011","18.013","0.003","90","","90.767","0.009","90","","2958.3","0.9","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C96 H64 Cl40 N8 O8 -","8","1","BI5032","Mukherjee, Arijit; Dixit, Karuna; Sarma, Siddhartha P.; Desiraju, Gautam R.","Aniline‒phenol recognition: from solution through supramolecular synthons to cocrystals","IUCrJ","2014","1","4","228","239","10.1107/S2052252514012081","","","0.71073","MoKα","","0.0957","0.0925","","","0.2002","0.2015","","","","","","1.206","","","","has coordinates","178187","2020-10-21","18:00:00",""
"1543020","25.63","0.002","10.6233","0.0008","31.622","0.002","90","","95.408","0.001","90","","8571.6","1.1","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Et4N][Fe4N(CO)11PPh3]","","","- C41 H43 Fe4 N2 O12 P -","- C41 H43 Fe4 N2 O12 P -","- C328 H344 Fe32 N16 O96 P8 -","8","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","0.71073","MoKα","","0.0264","0.0229","","","0.0572","0.059","","","","","","1.056","","","","has coordinates,has disorder","181482","2020-10-21","18:00:00",""
"1543075","10.025","0.0005","19.7722","0.0008","12.5456","0.0006","90","","95.411","0.004","90","","2475.7","0.2","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C27 H29 B F4 N2 O2 -","- C27 H29 B F4 N2 O2 -","- C108 H116 B4 F16 N8 O8 -","4","0.5","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0705","0.0621","","","0.1794","0.1905","","","","","","1.067","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543442","25.7232","0.0018","12.6083","0.0004","38.521","0.004","90","","92.547","0.009","90","","12481","1.6","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","007-14177","","","- C69 H89 Fe3 N8 -","- C69 H89 Fe3 N8 -","- C552 H712 Fe24 N64 -","8","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","1.54187","CuKα","","0.113","0.0756","","","0.1807","0.218","","","","","","0.975","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543443","26.1506","0.0018","12.4838","0.0002","39.818","0.004","90","","90.725","0.009","90","","12997.9","1.6","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","spider-14106","","","- C71 H95 Fe3 N8 -","- C71 H95 Fe3 N8 -","- C568 H760 Fe24 N64 -","8","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0675","0.0483","","","0.1121","0.1216","","","","","","1.044","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543495","12.74672","0.00016","15.92732","0.0002","10.89957","0.00011","90","","90.0415","0.0051","90","","2212.84","0.05","298","","298","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Li-CH2P(tBu)2","Lithium(bis-tert-butyl)phosphanylmethanide","","- C9 H20 Li P -","- C9 H20 Li P -","- C72 H160 Li8 P8 -","8","1","","Samigullin, Kamil; Bodach, Alexander; Wagner, Matthias; Alig, Edith; Fink, Lothar; Lerner, Hans-Wolfram","Donor-unsupported Phosphanylmethanides Li[CH2PR2] (R = tBu, Ph) – Crystal Structure of Li[CH2PtBu2] Solved by XRPD and DFT-D Calculations","Zeitschrift für anorganische und allgemeine Chemie","2016","642","3","282","287","10.1002/zaac.201500811","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00765","1.181","","","","","","","has coordinates","275233","2022-05-08","23:34:31",""
"1543981","20.3301","0.001","17.4558","0.0006","20.5691","0.0011","90","","119.399","0.007","90","","6359.5","0.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I)","","- C23 H46 K N3 O6 Si2 -","- C23 H46 K N3 O6 Si2 -","- C184 H368 K8 N24 O48 Si16 -","8","1","BH4011","Toney, Sydney E.; Hillesheim, Patrick C.; Guillet, Gary L.","(18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I)","IUCrData","2016","1","8","x161338","","10.1107/S2414314616013389","","","0.71073","MoKα","","0.0753","0.0573","","","0.1304","0.1404","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","186047","2020-10-21","18:00:00",""
"1544160","20.258","0.003","13.9884","0.0013","26.734","0.004","90","","103.187","0.01","90","","7376","1.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H42 F4 I N5 O -","- C37 H42 F4 I N5 O -","- C296 H336 F32 I8 N40 O8 -","8","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0695","0.0387","","","0.0761","0.0882","","","","","","1.028","","","","has coordinates,has disorder","191516","2020-10-21","18:00:00",""
"1544184","18.5929","0.0008","12.9042","0.0005","22.7421","0.0014","90","","98.499","0.002","90","","5396.5","0.5","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C110 H176 N6 P6 Ti2 -","- C110 H176 N6 P6 Ti2 -","- C220 H352 N12 P12 Ti4 -","2","0.25","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0748","0.0662","","","0.1786","0.189","","","","","","1.058","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"1544292","12.35","0.003","4.8107","0.0013","42.812","0.011","90","","97.569","0.009","90","","2521.4","1.1","173","","173","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ammonium hydrogen bis[4-(2-phenyl-2<i>H</i>-tetrazol-5-yl)benzoate]","","- C28 H23 N9 O4 -","- C28 H23 N9 O4 -","- C112 H92 N36 O16 -","4","0.5","SU4081","Janzen, Daron E.; Lange, Kayla A.; Wollack, James W.","Ammonium hydrogen bis[4-(2-phenyl-2<i>H</i>-tetrazol-5-yl)benzoate]","IUCrData","2016","1","10","x161570","","10.1107/S2414314616015704","","","0.71075","MoKα","","0.0757","0.0596","","","0.1232","0.1283","","","","","","1.185","","","","has coordinates,has Fobs","187348","2020-10-21","18:00:00",""
"1544298","17.9549","0.0011","5.7818","0.0003","55.027","0.003","90","","91.498","0.005","90","","5710.5","0.6","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C38 H26 N2 S -","- C38 H26 N2 S -","- C304 H208 N16 S8 -","8","1","","Jadhav, Thaksen; Dhokale, Bhausaheb; Patil, Yuvraj; Mobin, Shaikh M.; Misra, Rajneesh","Multi-Stimuli Responsive Donor‒Acceptor Tetraphenylethylene Substituted Benzothiadiazoles","The Journal of Physical Chemistry C","2016","120","42","24030","","10.1021/acs.jpcc.6b09015","","","1.5418","CuKα","","0.1152","0.0788","","","0.2292","0.2809","","","","","","1.066","","","","has coordinates","187939","2020-10-21","18:00:00",""
"1544807","25.1883","0.0019","12.192","0.0009","26.4276","0.0018","90","","98.253","0.003","90","","8031.8","1","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35.38 H33.75 B2 Cl0.75 F18 N3 -","- C35.375 H33.75 B2 Cl0.75 F18 N3 -","- C283 H270 B16 Cl6 F144 N24 -","8","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0642","0.0608","","","0.16","0.1632","","","","","","1.062","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544865","5.3182","0.0008","10.9583","0.0013","5.0595","0.0007","90","","94.993","0.014","90","","293.74","0.07","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Y(Ta,Nb)O4","","takanawaite-(Y)","- Dy0.08 Nb0.45 O4 Ta0.57 Y0.75 -","- Nb0.45 O4 Ta0.57 Y -","- Nb1.8 O16 Ta2.28 Y4 -","4","0.5","","Nishio-Hamane, D.; Minakawa, T.; Ohgoshi, Y.","Takanawaite-(Y), a new mineral of the M-type polymorph with Y(Ta,Nb)O4 from Takanawa Mountain, Ehime Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2013","108","","335","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","189380","2020-10-21","18:00:00",""
"1544907","5.534","","13.565","","25.09","","90","","93.96","","90","","1878.98","","","","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","(K,Na,Ca)0.96Mn6(Si,Al)12(O,OH)32*nH2O","","ganophyllite: monoclinic subcell","- Al2.5 Ca0.7 K0.17 Mn7.5 Na0.06 O32 Si9.8 -","- K0.5 Mn2 O11 Si3 -","- K4 Mn16 O88 Si24 -","8","1","","Kato, T.","The crystal structure of ganophyllite; monoclinic subcell","Mineralogical Journal","1980","10","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","189465","2020-10-21","18:00:00",""
"1544960","30.303","0.002","14.1499","0.001","30.774","0.002","90","","115.729","0.0011","90","","11887.2","1.4","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C72 H79 O9 -","- C66 H68 O6 -","- C528 H544 O48 -","8","1","","Wu, Chong; Ikejiri, Yusuke; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Synthesis of Mono-O-alkylated Homooxacalix[3]arene and a Protection-Deprotection Strategy for Homooxacalix[3]arene.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03338","","","0.71073","MoKα","","0.0875","0.0573","","","0.1347","0.1515","","","","","","1.071","","","","has coordinates","189715","2020-10-21","18:00:00",""
"1545478","26.9274","0.0003","5.87596","0.00008","29.0682","0.0004","90","","90.0555","0.0012","90","","4599.29","0.1","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H33 Cl2 N O3 S -","- C23 H33 Cl2 N O3 S -","- C184 H264 Cl16 N8 O24 S8 -","8","1","","Saint-Dizier, François; Simpkins, Nigel S.","First total synthesis of concavine","Chem. Sci.","2017","8","5","3384","","10.1039/C6SC05627J","","x-ray","1.54184","CuKα","","0.0791","0.0754","","","0.2209","0.2247","","","","","","1.094","","","","has coordinates","196333","2020-10-21","18:00:00",""
"1545776","16.3409","0.0006","9.0662","0.0003","35.1804","0.0013","90","","101.985","0.004","90","","5098.4","0.3","99.9","0.2","99.9","0.2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C64 H82 -","- C64 H82 -","- C256 H328 -","4","0.5","","Ivanov, Maxim V.; Thakur, Khushabu; Boddeda, Anitha; Wang, Denan; Rathore, Rajendra","Nodal Arrangement of HOMO Controls the Turning On/Off the Electronic Coupling in Isomeric Polypyrene Wires","The Journal of Physical Chemistry C","2017","121","17","9202","","10.1021/acs.jpcc.7b02264","","x-ray","1.54184","CuKα","","0.0832","0.0542","","","0.153","0.1822","","","","","","1.023","","","","has coordinates","196159","2020-10-21","18:00:00",""
"1545995","13.7214","0.0014","9.2266","0.0009","34.566","0.004","90","","91.593","0.002","90","","4374.4","0.8","100","2","99.99","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H17 N3 O7 S -","- C24 H17 N3 O7 S -","- C192 H136 N24 O56 S8 -","8","1","","Laws, Stephen W.; Moore, Lucas C.; Di Maso, Michael J.; Nguyen, Q Nhu N; Tantillo, Dean J.; Shaw, Jared T.","Diastereoselective Base-Catalyzed Formal [4 + 2] Cycloadditions of N-Sulfonyl Imines and Cyclic Anhydrides.","Organic letters","2017","19","10","2466","2469","10.1021/acs.orglett.7b00468","","","0.71073","MoKα","","0.0357","0.0326","","","0.088","0.09","","","","","","1.049","","","","has coordinates","197485","2020-10-21","18:00:00",""
"1546035","5.069","0.002","10.851","0.005","5.081","0.007","90","","90.091","0.009","90","","279.47","","","","","","11300000","","11300000","","","","","3","I 1 2/a 1","-I 2ya","15","","","Fergusonite","- Ca O4 W -","- Ca O4 W -","- Ca4 O16 W4 -","4","0.5","","Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.","Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure","Journal of Physics and Chemistry of Solids","2006","67","9-10","2164","2171","10.1016/j.jpcs.2006.05.011","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","196686","2020-10-21","18:00:00",""
"1546037","5.263","0.009","11.182","0.006","5.231","0.006","90","","90.35","0.01","90","","307.84","","","","","","11000000","","11000000","","","","","3","I 1 2/a 1","-I 2ya","15","","","Fergusonite","- O4 Sr W -","- O4 Sr W -","- O16 Sr4 W4 -","4","0.5","","Rodríguez-Hernández, P.; López-Solano, J.; Radescu, S.; Mujica, A.; Muñoz, A.; Errandonea, D.; Pellicer-Porres, J.; Segura, A.; Ferrer-Roca, Ch.; Manjón, F. J.; Kumard, R. S.; Tschaunerd, O.; Aquilantie, G.","Theoretical and experimental study of CaWO~4~ and SrWO~4~ under pressure","Journal of Physics and Chemistry of Solids","2006","67","9-10","2164","2171","10.1016/j.jpcs.2006.05.011","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","196687","2020-10-21","18:00:00",""
"1546187","31.169","0.0013","5.462","0.0002","19.627","0.0008","90","","102.81","","90","","3258.2","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","1,7,10,16-Tetraoxa-4,13-diazacyclo-octadecane 1,8-diiodoperfluorooctane","","- C20 H26 F16 I2 N2 O4 -","- C20 H26 F16 I2 N2 O4 -","- C80 H104 F64 I8 N8 O16 -","4","0.5","","Zavala, Jose; Greenan, Rebecca; Krantz, Q. Todd; DeMarini, David M.; Higuchi, Mark; Gilmour, M. Ian; White, Paul A.","Regulating temperature and relative humidity in air‒liquid interface in vitro systems eliminates cytotoxicity resulting from control air exposures","Toxicol. Res.","2017","","","","","10.1039/C7TX00109F","","","0.71069","MoKα","","0.0572","0.0413","","","0.1153","0.1242","","","","","","1.06","","","","has coordinates,has disorder","197149","2020-10-21","18:00:00",""
"1546254","23.6952","0.0004","14.2502","0.0003","27.6824","0.0005","90","","103.199","0.0019","90","","9100.3","0.3","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C42 H34 Cl10 F2 N O P Pt -","- C42 H34 Cl10 F2 N O P Pt -","- C336 H272 Cl80 F16 N8 O8 P8 Pt8 -","8","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0513","0.0404","","","0.0951","0.1033","","","","","","1.039","","","","has coordinates,has disorder","197543","2020-10-21","18:00:00",""
"1546255","14.61871","0.00018","17.9381","0.0003","28.6293","0.0004","90","","98.6391","0.0012","90","","7422.34","0.19","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C40.4 H33.2 Cl4.2 F2 N P Pt -","- C40.4 H33.2 Cl4.2 F2 N P Pt -","- C323.2 H265.6 Cl33.6 F16 N8 P8 Pt8 -","8","1","","Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P.","Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre","Chem. Sci.","2017","","","","","10.1039/C7SC01361B","","x-ray","0.71073","MoKα","","0.0646","0.0393","","","0.087","0.0958","","","","","","1.041","","","","has coordinates,has disorder","197543","2020-10-21","18:00:00",""
"1546587","14.6454","0.0008","12.0415","0.0005","15.1149","0.0009","90","","115.621","0.007","90","","2403.5","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C12 H13 Cl N2 O2 -","- C12 H13 Cl N2 O2 -","- C96 H104 Cl8 N16 O16 -","8","1","HB4159","El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","6-Chloro-1,4-diethylquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2017","2","7","x171052","","10.1107/S2414314617010525","","","1.54184","CuKα","","0.052","0.0447","","","0.1191","0.1283","","","","","","1.034","","","","has coordinates,has Fobs","198921","2020-10-21","18:00:00",""
"1546674","29.2234","0.0004","8.3076","0.0002","31.0407","0.0005","90","","101.859","0.002","90","","7375.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C352 H272 Cl16 N32 O32 -","16","2","SJ4123","El Janati, Ali; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar","1,4-Dibenzyl-6-chloroquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2017","2","6","x170901","","10.1107/S2414314617009014","","","1.54184","CuKα","","0.069","0.0527","","","0.144","0.1562","","","","","","1.042","","","","has coordinates,has Fobs","199268","2020-10-21","18:00:00",""
"1546707","22.1001","0.0008","6.7624","0.0002","24.5714","0.0007","90","","104.835","0.003","90","","3549.8","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate","","- C23 H21 N2 O0.5 -","- C23 H21 N2 O0.5 -","- C184 H168 N16 O4 -","8","1","","Loughzail, Mohamed; Adardour, Mohamed; Dahaoui, Slimane; Baouid, Abdesselam","(<i>E</i>)-2-Phenyl-4-styryl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine hemihydrate","IUCrData","2017","2","7","x171070","","10.1107/S2414314617010707","","","1.54184","CuKα","","0.0741","0.0579","","","0.1538","0.1718","","","","","","1.07","","","","has coordinates,has Fobs","199303","2020-10-21","18:00:00",""
"1547574","19.772","0.002","6.1368","0.0007","23.6786","0.0019","90","","94.152","0.008","90","","2865.5","0.5","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H21 Br -","- C16 H21 Br -","- C128 H168 Br8 -","8","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.1255","0.0557","","","0.0923","0.1114","","","","","","1.008","","","","has coordinates","201725","2020-10-21","18:00:00",""
"1547648","19.815","0.0004","5.02009","0.00008","18.2337","0.0004","90","","111.493","0.002","90","","1687.64","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 H11 B O3 -","- C8 H11 B O3 -","- C64 H88 B8 O24 -","8","1","","Chai, Zhaofei; Wang, Can; Wang, Jinfeng; Liu, Fan; Xie, Yujun; Zhang, Yongzheng; Li, Jian-Rong Jeff; Li, Qianqian; Li, Zhen","Abnormal Room Temperature Phosphorescence of Purely Organic Boron-Containing Compounds: the Relationship between the Emissive Behavior and the Molecular Packing, and the Potential Related Applications","Chem. Sci.","2017","","","","","10.1039/C7SC04098A","","x-ray","1.54184","CuKα","","0.0338","0.0328","","","0.0868","0.0877","","","","","","1.045","","","","has coordinates","201870","2020-10-21","18:00:00",""
"1548088","22.76348","0.00012","17.0958","0.00009","22.50605","0.00012","90","","100.782","0.0005","90","","8603.83","0.08","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66 H150 Cs2 N10 Si6 U2 -","- C66 H150 Cs2 N10 Si6 U2 -","- C264 H600 Cs8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0396","0.0395","","","0.1031","0.1031","","","","","","1.074","","","","has coordinates,has disorder","203272","2020-10-21","18:00:00",""
"1548117","18.259","0.0012","3.867","0.0002","24.2737","0.0018","90","","95.491","0.006","90","","1706.04","0.19","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H12 Br2 Cd N4 O2 -","- C16 H12 Br2 Cd N4 O2 -","- C64 H48 Br8 Cd4 N16 O8 -","4","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.069","0.0551","","","0.1629","0.1769","","","","","","1.076","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548118","19.7099","0.0005","6.8535","0.0002","13.631","0.0004","90","","98.052","0.003","90","","1823.15","0.09","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H12 Cd I2 N4 O2 -","- C16 H12 Cd I2 N4 O2 -","- C64 H48 Cd4 I8 N16 O8 -","4","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0431","0.0382","","","0.0936","0.098","","","","","","1.087","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548716","18.2502","0.0013","5.8703","0.0001","25.807","0.003","90","","100.988","0.008","90","","2714.1","0.4","","","93","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H18 O -","- C18 H18 O -","- C144 H144 O8 -","8","1","","Michael W. Giuliano; Chung-Yon Lin; David K. Romney; Scott J. Miller; Eric V. Anslyn","A Synergistic Combinatorial and Chiroptical Study of Peptide Catalysts for Asymmetric Baeyer-Villiger Oxidation","Advanced Synthesis & Catalysis","2015","357","","2301","2309","10.1002/adsc.201500230","","x-ray","1.54187","CuKα","","0.063","0.0586","","","0.1627","0.1721","","","","","","1.099","","","","has coordinates","205360","2020-10-21","18:00:00",""
"1548758","15.6052","0.0004","24.2499","0.0005","23.5838","0.0005","90","","102.23","0.002","90","","8722.1","0.3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C46.5 H56 F4 N3 Zn -","- C46.5 H56 F4 N3 Zn -","- C372 H448 F32 N24 Zn8 -","8","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0667","0.0442","","","0.1208","0.1384","","","","","","1.046","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548760","21.9257","0.0003","15.7003","0.0002","37.0659","0.0006","90","","97.8995","0.0014","90","","12638.5","0.3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H99 Al Mg N4 -","- C59 H85 Al Mg N4 -","- C472 H680 Al8 Mg8 N32 -","8","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0444","0.0377","","","0.1016","0.1075","","","","","","1.042","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548798","23.767","0.003","5.1425","0.0003","39.806","0.01","90","","102.61","0.02","90","","4747.8","1.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)","","- C22 H29 Br N4 Se2 -","- C22 H29 Br N4 Se2 -","- C176 H232 Br8 N32 Se16 -","8","1","","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","3,3'-[(2-Bromo-1,3-phenylene)bis(methylene)]bis(1-butyl-2,3-dihydro-1<i>H</i>-imidazole-2-selone)","IUCrData","2017","2","12","x171746","","10.1107/S2414314617017461","","","0.71073","MoKα","","0.1324","0.0619","","","0.1199","0.1461","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","205743","2020-10-21","18:00:00",""
"1548889","22.2914","0.0008","14.1339","0.0003","23.1869","0.0008","90","","115.732","0.002","90","","6580.9","0.4","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","4,9,14-Trichloro-1,3,5,6,8,10,11,13,15-nonaazatetracyclo\ [10.3.0.0^2,6^.0^7,11^]pentadeca-2,4,7,9,12,14-hexaene","2,6,10-Trichlorotris[1,2,4]triazolo[1,5-<i>a</i>:1',5'-<i>c</i>:1'',5''-<i>e</i>][1,3,5]triazine","","- C6 Cl3 N9 -","- C6 Cl3 N9 -","- C144 Cl72 N216 -","24","3","WM4072","Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter","2,6,10-Trichlorotris[1,2,4]triazolo[1,5-<i>a</i>:1',5'-<i>c</i>:1'',5''-<i>e</i>][1,3,5]triazine","IUCrData","2018","3","2","x180212","","10.1107/S2414314618002122","","","0.71069","MoKα","","0.0419","0.0331","","","0.0794","0.0861","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","206301","2020-10-21","18:00:00",""
"1549045","15.1489","0.0004","13.2904","0.0004","24.594","0.0008","90","","97.293","0.003","90","","4911.6","0.3","159.95","0.1","159.95","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H66 Cl2 N10 O16 -","- C40 H66 Cl2 N10 O16 -","- C160 H264 Cl8 N40 O64 -","4","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1208","0.125","","","","","","1.07","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549094","7.7604","0.0008","5.9132","0.0006","49.45","0.004","90","","95.879","0.009","90","","2257.3","0.4","95","","95","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0641","0.052","","0.0707","0.0619","0.0652","","","","","","1.116","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549095","7.856","0.0007","5.8413","0.0006","49.561","0.004","90","","95.46","0.008","90","","2264","0.4","135","","135","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0391","0.0339","","0.084","0.0776","0.0813","","","","","","0.9222","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549096","8.0891","0.0006","5.7282","0.0004","49.849","0.004","90","","94.255","0.006","90","","2303.4","0.3","215","","215","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0373","0.0325","","0.0773","0.0711","0.0736","","","","","","0.8551","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549097","7.9306","0.0005","5.8288","0.0004","49.645","0.003","90","","95.171","0.005","90","","2285.5","0.3","155","","155","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0442","0.0354","","0.0625","0.0519","0.0545","","","","","","0.9734","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549098","7.9631","0.0006","5.8073","0.0004","49.723","0.003","90","","94.85","0.006","90","","2291.2","0.3","175","","175","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0427","0.0353","","0.0868","0.0809","0.0848","","","","","","0.8841","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549099","8.3546","0.0005","5.6236","0.0003","50.168","0.003","90","","93.146","0.005","90","","2353.5","0.2","275","","275","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0471","0.0368","","0.0603","0.0541","0.0575","","","","","","0.9597","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549100","8.0248","0.0006","5.7688","0.0005","49.827","0.004","90","","94.591","0.007","90","","2299.3","0.3","195","","195","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0366","0.0326","","0.0667","0.0603","0.0624","","","","","","0.9514","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549101","8.446","0.0003","5.58942","0.00019","50.2534","0.0015","90","","92.829","0.003","90","","2369.48","0.14","295","","295","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0407","0.0361","","0.0972","0.0876","0.0915","","","","","","0.7832","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549102","7.8186","0.0005","5.8811","0.0003","49.458","0.003","90","","95.762","0.006","90","","2262.7","0.2","115","","115","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0326","0.0296","","0.0651","0.0624","0.0639","","","","","","0.9209","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549103","8.1615","0.0007","5.6918","0.0005","49.87","0.004","90","","93.819","0.007","90","","2311.5","0.3","235","","235","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0394","0.0339","","0.083","0.0778","0.0804","","","","","","0.8332","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549104","8.2606","0.0006","5.6541","0.0003","49.944","0.003","90","","93.621","0.006","90","","2328","0.3","255","","255","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0427","0.0359","","0.0696","0.063","0.066","","","","","","0.988","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549397","24.712","0.007","8.4842","0.0015","24.907","0.006","90","","101.616","0.01","90","","5115","2","299","2","299","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(hex-5-ynyl)-3-(3-(2-(trimethylsilyl)ethynyl)phenyl)thiourea","","- C24 H36 N2 S Si -","- C24 H36 N2 S Si -","- C192 H288 N16 S8 Si8 -","8","1","","Kulikov, Oleg V.; Siriwardane, Dumindika A.; Budhathoki-Uprety, Januka; McCandless, Gregory T.; Mahmood, Samsuddin F.; Novak, Bruce M.","The secondary structures of PEG-functionalized random copolymers derived from (R)- and (S)- families of alkyne polycarbodiimides","Polymer Chemistry","2018","9","20","2759","","10.1039/C8PY00282G","","","1.54184","CuKα","","0.0613","0.047","","","0.1331","0.1468","","","","","","1.054","","","","has coordinates","230964","2020-10-21","18:00:00",""
"1549884","35.5103","0.0007","9.6091","0.0002","37.3391","0.0008","90","","103.589","0.002","90","","12384.3","0.5","100","1","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,7,12-Tris-(2-(4-pyridylazo)ethoxy)-3,8,13-trimethoxy-10,15-dihydro-2H-tribenzo[a,d,g]cyclononene nitromethane clathrate","","- C65 H63 N11 O13 -","- C65 H63 N11 O13 -","- C520 H504 N88 O104 -","8","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","1.54184","CuKα","","0.1127","0.0959","","","0.2991","0.3231","","","","","","1.36","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549940","13.2572","0.0006","5.1221","0.0002","16.7741","0.0008","90","","97.5575","0.0019","90","","1129.15","0.09","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-fluoro-1,3-diphenyl-1,3-propanedione","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0412","0.0342","","","0.0848","0.0884","","","","","","1.153","","","","has coordinates,has disorder","228753","2020-10-21","18:00:00",""
"1550059","17.113","0.0002","15.0517","0.0002","29.9562","0.0004","90","","90.872","0.001","90","","7715.22","0.17","150","2","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H62 Mg N4 O2 -","- C38 H62 Mg N4 O2 -","- C304 H496 Mg8 N32 O16 -","8","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0557","0.0505","","","0.1415","0.1444","","","","","","1.156","","","","has coordinates","230953","2020-10-21","18:00:00",""
"1550063","17.0865","0.0003","15.0333","0.0002","30.0246","0.0004","90","","91.193","0.001","90","","7710.6","0.2","150","2","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H62 N4 O2 Zn -","- C38 H62 N4 O2 Zn -","- C304 H496 N32 O16 Zn8 -","8","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0377","0.0335","","","0.0893","0.0924","","","","","","1.036","","","","has coordinates","230953","2020-10-21","18:00:00",""
"1550226","18.8952","0.0004","13.1861","0.0002","27.8641","0.0005","90","","100.042","0.0019","90","","6836.1","0.2","119.99","0.1","119.99","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C28 H46 Cl2 In K N2 O Si2 -","- C28 H46 Cl2 In K N2 O Si2 -","- C224 H368 Cl16 In8 K8 N16 O8 Si16 -","8","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0277","0.0248","","","0.0648","0.0668","","","","","","1.012","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550227","18.7078","0.0002","13.15883","0.00013","30.1739","0.0004","90","","101.73","0.0012","90","","7272.86","0.15","120","0.1","120","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C31 H49 Cl2 In K N2 O Si2 -","- C31 H49 Cl2 In K N2 O Si2 -","- C248 H392 Cl16 In8 K8 N16 O8 Si16 -","8","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0252","0.0248","","","0.0649","0.0652","","","","","","1.073","","","","has coordinates","211906","2020-10-21","18:00:00",""
"1550229","23.2852","0.0003","17.27697","0.00018","36.472","0.0005","90","","108.506","0.0014","90","","13913.9","0.3","120","0.1","120","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C59 H99 In2 K2 N4 O2 Si4 -","- C59 H99 In2 K2 N4 O2 Si4 -","- C472 H792 In16 K16 N32 O16 Si32 -","8","1","","Anker, Mathew; Lein, Matthias; Coles, Martyn P.","Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds","Chemical Science","2019","","","","","10.1039/C8SC04078H","","x-ray","1.54184","CuKα","","0.0464","0.0426","","","0.1034","0.1065","","","","","","1.081","","","","has coordinates,has disorder","211906","2020-10-21","18:00:00",""
"1550255","22.1499","0.0009","7.8915","0.0002","17.5288","0.0006","90","","111.175","0.004","90","","2857.09","0.19","149.9","0.3","149.9","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H21 B N2 O2 -","- C14 H21 B N2 O2 -","- C112 H168 B8 N16 O16 -","8","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","0.71073","MoKα","","0.0586","0.0476","","","0.1164","0.1227","","","","","","1.071","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550934","17.8492","0.0009","10.6328","0.0006","43.5137","0.0019","90","","96.227","0.002","90","","8209.6","0.7","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C32 H48 Cl2 Ir2 N4 O4 Si4 -","- C32 H48 Cl2 Ir2 N4 O4 Si4 -","- C256 H384 Cl16 Ir16 N32 O32 Si32 -","8","1","","Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J","Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2","Catalysis Science & Technology","2019","","","","","10.1039/C8CY02353K","","","0.71073","MoKα","","0.0574","0.0325","","","0.0676","0.0773","","","","","","0.898","","","","has coordinates","214748","2020-10-21","18:00:00",""
"1551241","16.375","0.003","12.327","0.003","17.399","0.004","90","","102.25","0.03","90","","3432.1","1.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 B2 F8 Fe N8 -","- C26 H20 B2 F8 Fe N8 -","- C104 H80 B8 F32 Fe4 N32 -","4","0.5","","Sánchez-Viveros, José Manuel; Bucio-Ortega, Job; Ortiz-Pastrana, Naytzé; Olguín, Juan","Mononuclear complexes of FeII, CoII and CoIII containing imine-based ligands of 8-aminoquinoline and 7-aminoindazole: spin state tuning of FeII complexes in solution","New Journal of Chemistry","2019","43","25","9776","","10.1039/C9NJ01622H","","","0.71073","MoKα","","0.1046","0.0587","","","0.157","0.1812","","","","","","1.037","","","","has coordinates","224857","2020-10-21","18:00:00",""
"1551589","15.4085","0.00014","13.0737","0.00014","27.383","0.0003","90","","98.0922","0.0009","90","","5461.27","0.1","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H26 Cl N6 O3.5 Ru -","- C28 H26 Cl N6 O3.5 Ru -","- C224 H208 Cl8 N48 O28 Ru8 -","8","1","","TOYAMA, Mari; NAKAYASU, Toshifumi; NAGAO, Noriharu","Crystal Structure of (2-Picolinato)bis(2,2′-bipyridine)ruthenium(II) Chloride","X-ray Structure Analysis Online","2017","33","0","11","","10.2116/xraystruct.33.11","","","1.54187","CuKα","","0.0274","0.0267","","","0.0709","0.0714","","","","","","1.044","","","","has coordinates","216199","2020-10-21","18:00:00",""
"1552107","18.7682","0.0011","13.7292","0.0006","31.4518","0.0016","90","","106.951","0.006","90","","7752.2","0.7","291","","291","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45 H31 Cl N4 Zn -","- C45 H31 Cl N4 Zn -","- C360 H248 Cl8 N32 Zn8 -","8","1","","Ge, Yuansheng; Cheng, Guoe; Xu, Nanfeng; Wang, Weizhou; Ke, Hanzhong","Zinc 2-N-Methyl N-confused porphyrin: An Efficient Catalyst for the Conversion of CO2 into Cyclic Carbonates","Catalysis Science & Technology","2019","","","","","10.1039/C9CY00739C","","x-ray","0.71073","MoKα","","0.1416","0.0811","","","0.1694","0.1958","","","","","","1.054","","","","has coordinates","217017","2020-10-21","18:00:00",""
"1552189","27.5312","0.0006","21.7757","0.0006","43.5129","0.0011","90","","107.785","0.003","90","","24839.8","1.2","140","0.1","140","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H144 N8 Si12 U2 -","- C52 H144 N8 Si12 U2 -","- C624 H1728 N96 Si144 U24 -","12","1.5","","Palumbo, Chad T.; Barluzzi, Luciano; Scopelliti, Rosario; Zivkovic, Ivica; Fabrizio, Alberto; Corminboeuf, Clémence; Mazzanti, Marinella","Tuning the structure, reactivity and magnetic communication of nitride-bridged uranium complexes with the ancillary ligands","Chemical Science","2019","","","","","10.1039/C9SC02149C","","x-ray","1.54184","CuKα","","0.0661","0.0377","","","0.0829","0.0945","","","","","","0.986","","","","has coordinates,has disorder","217511","2020-10-21","18:00:00",""
"1552250","18.3331","0.0003","14.0402","0.0002","20.1069","0.0003","90","","107.894","0.002","90","","4925.17","0.14","291","2","291","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H24 Cl N O2 -","- C30 H24 Cl N O2 -","- C240 H192 Cl8 N8 O16 -","8","1","","Li, Chao; Cao, Yi-Xuan; Jin, Ruoxing; Bian, Kang-Jie; Qin, Zi-Yang; Lan, Quan; Wang, Xi-Sheng","Highly Stereoselective Nickel-Catalyzed Difluoroalkylation of Aryl Ketones to Tetrasubstituted Monofluoroalkenes and Quaternary Alkyl Difluorides","Chemical Science","2019","","","","","10.1039/C9SC02806D","","","1.54184","CuKα","","0.0607","0.0542","","","0.1569","0.1635","","","","","","1.055","","","","has coordinates","217623","2020-10-21","18:00:00",""
"1552296","19.7244","0.0019","12.392","0.0012","35.75","0.003","90","","99.796","0.006","90","","8610.8","1.4","190","2","190","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C416 H352 N32 O32 -","16","2","","Oburn, Shalisa M.; Sinnwell, Michael A.; Ericson, Devin P.; Reinheimer, Eric W.; Proserpio, Davide M.; Groeneman, Ryan H.; MacGillivray, Leonard","Diversifying molecular and topological space via a supramolecular solid-state synthesis: a purely organic mok net sustained by hydrogen bonds","IUCrJ","2019","6","6","","","10.1107/S2052252519011382","","","0.71073","MoKα","","0.0756","0.0566","","","0.1402","0.1485","","","","","","1.047","","","","has coordinates,has disorder","218067","2020-10-21","18:00:00",""
"1552485","14.0408","0.001","15.4293","0.0013","16.5882","0.0013","90","","93.136","0.006","90","","3588.3","0.5","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C160 H184 N24 O24 -","8","1","","Wang, Guotong; Cui, Pengcheng; Bai, Hongjin; Wei, Sanyue; Li, Shengkun","Late-Stage C-H Functionalization of Nicotinamides for the Expedient Discovery of Novel Antifungal Leads.","Journal of agricultural and food chemistry","2019","67","43","11901","11910","10.1021/acs.jafc.9b05349","","x-ray","0.71073","MoKα","","0.0625","0.0458","","","0.1062","0.1168","","","","","","1.04","","","","has coordinates","223214","2020-10-21","18:00:00",""
"1552742","18.9506","0.0003","5.3187","0.0001","33.0475","0.0007","90","","91.961","0.001","90","","3328.99","0.11","90","0.2","90","0.2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C50 H28 -","- C50 H28 -","- C200 H112 -","4","0.5","","Ly, Jack; Martin, Kara; Thomas, Simil; Yamashita, Masataka; Yu, Beihang; Pointer, Craig A.; Yamada, Hiroko; Carter, Kenneth R.; Parkin, Sean; Zhang, Lei; Bredas, Jean-Luc; Young, Elizabeth R.; Briseno, Alejandro L.","Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives.","The journal of physical chemistry. A","2019","123","35","7558","","10.1021/acs.jpca.9b04203","","","1.54178","CuKα","","0.0534","0.0395","","","0.1006","0.1091","","","","","","1.026","","","","has coordinates","223171","2020-10-21","18:00:00",""
"1552749","15.5234","0.0007","19.2687","0.0005","19.1761","0.0008","90","","112.933","0.005","90","","5282.5","0.4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H26 Br Co N3 O7 S -","- C24 H26 Br Co N3 O7 S -","- C192 H208 Br8 Co8 N24 O56 S8 -","8","1","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.0613","0.0428","","","0.0998","0.1103","","","","","","1.012","","","","has coordinates","247765","2020-10-21","18:00:00",""
"1552855","14.4384","","16.0496","","20.713","","90","","96.573","","90","","4768.29","","123","","123","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H32 N2 O3 S Si -","- C24 H32 N2 O3 S Si -","- C192 H256 N16 O24 S8 Si8 -","8","1","","Rej, Supriya; Chatani, Naoto","Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.","Chemical science","2020","11","2","389","395","10.1039/c9sc04308j","","","0.71073","MoKα","","0.0502","0.0363","","","0.0944","0.0987","","","","","","1.085","","","","has coordinates","250224","2020-10-21","18:00:00",""
"1552856","17.4067","0.001","10.6112","0.001","22.164","0.002","90","","98.333","0.007","90","","4050.6","0.6","123","","123","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H36 N4 O12 Rh2 S2 -","- C38 H36 N4 O12 Rh2 S2 -","- C152 H144 N16 O48 Rh8 S8 -","4","0.5","","Rej, Supriya; Chatani, Naoto","Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.","Chemical science","2020","11","2","389","395","10.1039/c9sc04308j","","","0.71073","MoKα","","0.1132","0.0897","","","0.2399","0.2618","","","","","","1.041","","","","has coordinates","250224","2020-10-21","18:00:00",""
"1552921","16.3881","0.0012","4.6912","0.0003","22.4928","0.0018","90","","97.512","0.007","90","","1714.4","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate","","- C8 H7 N2 O2.5 S -","- C8 H7 N2 O2.5 S -","- C64 H56 N16 O20 S8 -","8","1","WM4116","Razzoqova, Surayyo Razzoqovna; Kadirova, Shaxnoza; Ashurov, Jamshid Mengnorovich; Rakhmonova, Dilnoza Salamovna; Ziyaev, Abdukhakim; Parpiev, Nusrat Agzamovich","5-(3-Hydroxyphenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione hemihydrate","IUCrData","2019","4","11","x191532","","10.1107/S2414314619015323","","","1.54184","CuKα","","0.0704","0.0429","","","0.0995","0.1167","","","","","","1.04","","","","has coordinates,has Fobs","277994","2022-09-20","08:32:41",""
"1553230","13.6461","0.0019","10.723","0.0015","22.268","0.004","90","","90.915","0.002","90","","3258","0.9","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Wun1m","","- C20 H15 N3 O3 -","- C20 H15 N3 O3 -","- C160 H120 N24 O24 -","8","1","","Nack, W. A.; Wang, B.; Wu, X.; Jiao, R.; He, G.; Chen, G.","Palladium-catalyzed arylation of β-methylene C(sp3)‒H bonds at room temperature: desymmetrization of simple cycloalkyl carboxylic acids","Organic Chemistry Frontiers","2016","3","5","561","","10.1039/C5QO00421G","","","0.71073","MoKα","","0.159","0.153","","","0.3373","0.3402","","","","","","2.199","","","","has coordinates","233722","2020-10-21","18:00:00",""
"1553332","27.9933","0.0004","9.57267","0.00008","22.8556","0.0004","90","","118.274","0.002","90","","5393.91","0.16","150","0.1","150","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C H O -","- C1.49333 H1.28 O0.64 -","- C224 H192 O96 -","150","18.75","","Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang","Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.","Journal of natural products","2018","81","6","1376","1383","10.1021/acs.jnatprod.7b01018","","x-ray","1.54184","CuKα","","0.0402","0.0384","","","0.1061","0.1079","","","","","","1.067","","","","has coordinates","234116","2020-10-21","18:00:00",""
"1553465","25.856","0.0009","5.37038","0.00017","21.5154","0.0007","90","","101.646","0.003","90","","2926.05","0.17","99.98","0.11","99.98","0.11","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","8a","","- C16 H16 B N3 O2 -","- C16 H16 B N3 O2 -","- C128 H128 B8 N24 O16 -","8","1","","Zhai, Wenlei; Chapin, Brette M.; Yoshizawa, Akina; Wang, Hui-Chen; Hodge, Stephen A.; James, Tony D.; Anslyn, Eric V.; Fossey, John S.","“Click-fluors”: triazole-linked saccharide sensors","Organic Chemistry Frontiers","2016","3","8","918","","10.1039/C6QO00171H","","x-ray","0.71073","MoKα","","0.0491","0.0418","","","0.1011","0.1059","","","","","","1.09","","","","has coordinates","235028","2020-10-21","18:00:00",""
"1553709","12.2591","0.0003","38.9347","0.0008","18.0305","0.0004","90","","93.869","0.002","90","","8586.4","0.3","213","","213","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","hexakis(4-carboxy-3,5-difluorophenyl)triphenylene","","- C60 H24 F12 O12 -","- C60 H24 F12 O12 -","- C240 H96 F48 O48 -","4","0.5","","Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu","Sterically crowded hydrogen-bonded hexagonal network frameworks","Materials Chemistry Frontiers","2018","2","2","338","","10.1039/C7QM00544J","","","1.54187","CuKα","","0.1257","0.1061","","","0.3522","0.3784","","","","","","1.481","","","","has coordinates,has disorder","235926","2020-10-21","18:00:00",""
"1553710","27.8455","0.0003","22.4501","0.0002","29.8331","0.0003","90","","95.3352","0.0009","90","","18568.9","0.3","213","","213","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","hexakis(4-carboxy-3,5-dimethylphenyl)triphenylene, methyl benzoate solvate","","- C80 H68 O14 -","- C80 H67.9999 O13.9998 -","- C640 H543.999 O111.998 -","8","1","","Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu","Sterically crowded hydrogen-bonded hexagonal network frameworks","Materials Chemistry Frontiers","2018","2","2","338","","10.1039/C7QM00544J","","","1.54187","CuKα","","0.0975","0.0883","","","0.2811","0.2926","","","","","","1.05","","","","has coordinates,has disorder","235926","2020-10-21","18:00:00",""
"1553825","9.6871","0.0007","14.029","0.0007","23.8866","0.0017","90","","90.258","0.006","90","","3246.2","0.4","289.9","0.3","289.9","0.3","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Sun, Haiyu; Xu, Shiyan; Xing, Zhimin; Liu, Lin; Feng, Shangbiao; Fang, Bowen; Xie, Xingang; She, Xuegong","Rapid construction of complex tetracyclic frameworks via a gold(i)-catalyzed tandem 1,2-acyloxy migration/[3 + 2] cycloaddition/Friedel‒Crafts type cyclization reaction of linear enynyl esters","Organic Chemistry Frontiers","2017","4","11","2109","","10.1039/C7QO00511C","","","0.7107","MoKα","","0.0806","0.0545","","","0.1326","0.1516","","","","","","1.093","","","","has coordinates","236073","2020-10-21","18:00:00",""
"1554027","26.5617","0.0007","5.7076","0.0001","20.2096","0.0006","90","","109.72","0.003","90","","2884.16","0.14","104","8","104","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","triphenyl bismuth","","","- C18 H15 Bi -","- C18 H15 Bi -","- C144 H120 Bi8 -","8","1","","Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon","Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.","The journal of physical chemistry. A","2016","120","33","6650","6669","10.1021/acs.jpca.6b05769","","x-ray","0.71073","MoKα","","0.0383","0.0295","","","0.0598","0.063","","","","","","1.066","","","","has coordinates","236455","2020-10-21","18:00:00",""
"1554146","14.715","0.007","13.139","0.006","17.882","0.012","90","","104.31","0.013","90","","3350","3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","L-Strap","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C176 H184 N8 O16 -","8","1","","Wang, Fang; DeRosa, Christopher A.; Song, Daniel; Dickie, Diane A.; Fraser, Cassandra L.","Environment-Sensitive Azepane-Substituted β-Diketones and Difluoroboron Complexes with Restricted C‒C Bond Rotation","The Journal of Physical Chemistry C","2019","123","37","23124","","10.1021/acs.jpcc.9b06304","","","0.71073","MoKα","","0.1565","0.0695","","","0.1673","0.2163","","","","","","1.032","","","","has coordinates","236638","2020-10-21","18:00:00",""
"1554606","28.7327","0.0005","22.93","0.0003","24.8036","0.0003","90","","102.077","0.0013","90","","15979.9","0.4","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H57 Cl N11 O2 U Zn -","- C57 H57 Cl N11 O2 U Zn -","- C456 H456 Cl8 N88 O16 U8 Zn8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.54184","CuKα","","0.1055","0.0983","","","0.2329","0.2365","","","","","","1.142","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554608","24.852","0.005","23.01","0.005","28.754","0.005","90","0.005","102.183","0.005","90","0.005","16073","6","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C87 H87 Cl Mg N17 O2 U -","- C87.5 H87.5 Cl Mg N16.5 O2 U -","- C700 H700 Cl8 Mg8 N132 O16 U8 -","8","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.5418","CuKα","","0.0365","0.0295","","","0.0698","0.0735","","","","","","0.922","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1554846","24.915","0.002","8.8562","0.0007","19.8464","0.0018","90","","105.666","0.009","90","","4216.5","0.6","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H49 F12 N7 O4 P2 -","- C34 H49 F12 N7 O4 P2 -","- C136 H196 F48 N28 O16 P8 -","4","0.5","","Devillard, Marc; Regnier, Vianney; Pecaut, Jacques; Martin, David","Stable dicationic dioxoliums and fate of their dioxolyl radicals","Organic Chemistry Frontiers","2019","6","18","3184","","10.1039/C9QO00298G","","x-ray","0.71073","MoKα","","0.138","0.0803","","","0.1669","0.196","","","","","","1.048","","","","has coordinates,has disorder","238151","2020-10-21","18:00:00",""
"1556407","7.3633","0.0013","12.0641","0.0016","8.9185","0.0019","90","","103.738","0.013","90","","769.6","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1-Nitro-4-(1-propyn-1-yl)benzene","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","0.5","HB4327","Campos Fernandez, Cristian Saul; Pineda, Leslie W.; Cabezas Pizarro, Jorge","1-Nitro-4-(1-propyn-1-yl)benzene","IUCrData","2019","4","11","x191585","","10.1107/S2414314619015852","","","1.54178","CuKα","","0.0733","0.0569","","","0.1599","0.1785","","","","","","1.13","","","","has coordinates,has Fobs","244834","2020-10-21","18:00:00",""
"1556425","17.9524","0.0017","11.0913","0.0007","16.3512","0.0015","90","","100.154","0.008","90","","3204.8","0.5","299.6","0.6","299.6","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C20 H34 Cl2 Cu N4 O12 S2 -","- C20 H34 Cl2 Cu N4 O12 S2 -","- C80 H136 Cl8 Cu4 N16 O48 S8 -","4","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0427","0.034","","","0.0843","0.0902","","","","","","1.035","","","","has coordinates,has disorder","244897","2020-10-21","18:00:00",""
"1556466","12.9939","0.0007","10.1996","0.0005","24.8297","0.0016","90","","94.623","0.005","90","","3280","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 Br O8 Ru2 -","- C32 H28 Br O8 Ru2 -","- C128 H112 Br4 O32 Ru8 -","4","0.5","","Delgado-Martinez, P.; Elvira-Bravo, A.; Gonzalez-Prieto, R.; Priego, J.L.; Jimenez-Aparicio, R.; Torres, M.R.","Synthesis of Ru2Br(mu-O2CC6H4-R)4 (R = o-Me, m-Me, p-Me) Using Microwave Activation: Structural and Magnetic Properties","Inorganics","2014","2","","524","536","10.3390/inorganics2030524","","","0.71073","MoKα","","0.071","0.0406","","","0.0711","0.0851","","","","","","0.997","","","","has coordinates","244952","2020-10-21","18:00:00",""
"1556767","12.5506","0.0004","6.6807","0.0002","26.1586","0.0008","90","","98.815","0.003","90","","2167.41","0.12","100","2","100","2","","","","","","","see text","4","I 1 2/a 1","-I 2ya","15","","","","- C11 H9 N O6 -","- C11 H9 N O6 -","- C88 H72 N8 O48 -","8","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0567","0.0533","","","0.1334","0.1359","","","","","","1.164","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556900","26.7934","0.0005","12.4321","0.0003","39.1414","0.0007","90","","106.494","0.002","90","","12501.4","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C62 H79 Cl2 N5 O6 Pt S -","- C62 H79 Cl2 N5 O6 Pt S -","- C496 H632 Cl16 N40 O48 Pt8 S8 -","8","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","1.54178","CuKα","K-L~3~","0.0398","0.0371","","","0.0997","0.1021","","","","","","1.04","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1557105","28.36","0.0004","12.35285","0.00017","27.666","0.0004","90","","94.6541","0.0014","90","","9660.2","0.2","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C104 H96 B4 F16 N8 O4 Pd2 -","- C88 H56 B4 F16 N8 Pd2 -","- C352 H224 B16 F64 N32 Pd8 -","4","0.5","","Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.","Conformational control of Pd2L4 assemblies with unsymmetrical ligands","Chemical Science","2020","11","3","677","683","10.1039/C9SC05534G","","","1.54184","CuKα","","0.0494","0.0419","","","0.1118","0.119","","","","","","1.055","","","","has coordinates,has disorder","257420","2020-10-21","18:00:00",""
"1557207","17.03","0.02","10.58","0.01","22.26","0.04","90","","103.23","0.03","90","","3904","9","173","2","173.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H29 N3 O2 -","- C19 H29 N3 O2 -","- C152 H232 N24 O16 -","8","1","","Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei","n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media","Chemical Science","2020","11","10","2707","2715","10.1039/C9SC05698J","","","0.71073","MoKα","","0.1482","0.088","","","0.2275","0.2777","","","","","","1.072","","","","has coordinates","257290","2020-10-21","18:00:00",""
"1557315","11.9451","0.0005","11.9286","0.0004","16.2807","0.0007","90","","101.179","0.004","90","","2275.79","0.16","223","2","223","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C6 H12 F N0.5 Na0.5 O5 S2.5 -","- C6 H12 F N0.5 Na0.5 O5 S2.5 -","- C48 H96 F8 N4 Na4 O40 S20 -","8","1","","Okamoto, Yukihiro; Tsuzuki, Seiji; Tatara, Ryoichi; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","High Transference Number of Na Ion in Liquid-State Sulfolane Solvates of Sodium Bis(fluorosulfonyl)amide","The Journal of Physical Chemistry C","2020","","","","","10.1021/acs.jpcc.9b11458","","","0.71073","MoKα","","0.0427","0.0392","","","0.1097","0.1128","","","","","","1.084","","","","has coordinates","248142","2020-10-21","18:00:00",""
"1557444","22.4997","0.0012","8.4913","0.0003","17.7726","0.0007","90","","111.646","0.005","90","","3156","0.3","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H35 F6 N5 Ni O2 P -","- C31 H35 F6 N5 Ni O2 P -","- C124 H140 F24 N20 Ni4 O8 P4 -","4","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","1.54184","CuKα","","0.0692","0.0526","","","0.132","0.1434","","","","","","1.071","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557514","7.0581","0.0005","11.6424","0.0007","9.2407","0.0006","90","","103.046","0.007","90","","739.74","0.09","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C7 H3 K N O4 -","- C7 H3 K N O4 -","- C28 H12 K4 N4 O16 -","4","0.5","","Li, Chao; Wang, Kuaibing; Li, Jingze; Zhang, Qichun","Nanostructured potassium-organic framework as an effective anode for potassium-ion batteries with a long cycle life.","Nanoscale","2020","12","14","7870","7874","10.1039/d0nr00964d","","","0.71073","MoKα","","0.0413","0.0348","","","0.0916","0.0984","","","","","","1.212","","","","has coordinates","251678","2020-10-21","18:00:00",""
"1557940","9.79","0.002","10.437","0.002","9.79","0.002","90","","90.97","0.03","90","","1000.2","0.3","","","348","","","","100","","","","","5","I 1 2/a 1","-I 2ya","15","Ca4(Al8Si8O32)18H2O","","gismondine at 75 C","- Al8 Ca4 H36 O50 Si8 -","- Al8 Ca3.52 O48.36 Si8 -","- Al8 Ca3.52 O48.36 Si8 -","1","0.125","","Wadoski-Romeijn, E.; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure","American Mineralogist","2013","98","","1988","1997","10.2138/am.2013.4495","","","","","","","","","","","","","","","","","","","","","has coordinates","251245","2020-10-21","18:00:00",""
"1557941","9.434","0.004","9.044","0.002","9.695","0.002","90","","89.04","0.01","90","","827.1","0.4","","","498","","","","100","","","","","5","I 1 2/a 1","-I 2ya","15","Ca4(Al8Si8O32)18H2O","","gismondine C2/c at 225 C","- Al8 Ca4 H36 O50 Si8 -","- Al8 Ca3.784 O36 Si8 -","- Al8 Ca3.784 O36 Si8 -","1","0.125","","Wadoski-Romeijn, E.; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure","American Mineralogist","2013","98","","1988","1997","10.2138/am.2013.4495","","","","","","","","","","","","","","","","","","","","","has coordinates","251246","2020-10-21","18:00:00",""
"1558125","14.7979","0.0002","21.9313","0.0003","18.008","0.0003","90","","112.854","0.002","90","","5385.48","0.16","173","0.14","173","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 F6 N3 O4 S4 -","- C23 H21 F6 N3 O4 S4 -","- C184 H168 F48 N24 O32 S32 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","1.54184","CuKα","","0.0807","0.0686","","","0.1802","0.1933","","","","","","1.048","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558370","18.504","0.0003","17.9348","0.0003","19.6933","0.0007","90","","108.694","0.002","90","","6190.7","0.3","173","0.1","173","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H28 B2 Br2 N2 -","- C36 H28 B2 Br2 N2 -","- C288 H224 B16 Br16 N16 -","8","1","","Guo, Rui; Jiang, Jingxing; Hu, Chenyang; Liu, Liu Leo; Cui, Ping; Zhao, Meihua; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","BNN-1,3-dipoles: isolation and intramolecular cycloaddition with unactivated arenes","Chemical Science","2020","","","","","10.1039/D0SC02162H","","x-ray","1.54178","CuKα","","0.0871","0.073","","","0.2095","0.2527","","","","","","1.208","","","","has coordinates","253282","2020-10-21","18:00:00",""
"1558479","17.4699","0.0012","6.8917","0.0005","22.137","0.002","90","","103.57","0.0016","90","","2590.8","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H12 Cl N O3 -","- C15 H11 Cl N O3 -","- C120 H88 Cl8 N8 O24 -","8","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0557","0.0524","","","0.1264","0.1277","","","","","","1.301","","","","has coordinates,has disorder","253683","2020-10-21","18:00:00",""
"1558612","9.04","0.009","16.15","0.008","14.32","0.006","90","","101.67","0.006","90","","2047","2","301","2","301","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 Cl O7 -","- C23 H21 Cl O7 -","- C92 H84 Cl4 O28 -","4","0.5","","Chakraborty , Sandip; Joseph, Manu M.; Varughese, Sunil; Ghosh, Samrat; Maiti, Kaustabh; Samanta, Animesh; Ajayaghosh, Ayyappanpillai","A new pentacyclic pyrylium fluorescent probe that responds to pH imbalance during apoptosis","Chemical Science","2020","","","","","10.1039/D0SC02623A","","","0.71073","MoKα","","0.1771","0.1275","","","0.2138","0.2347","","","","","","1.328","","","","has coordinates","254369","2020-10-21","18:00:00",""
"1558745","10.072","0.003","10.703","0.004","41.298","0.013","90","","90.973","0.01","90","","4451","3","173","","173","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H31 N3 O4 -","- C23 H31 N3 O4 -","- C184 H248 N24 O32 -","8","1","","Swedin, Rachel; Badgurjar, Deepak; Healy, Andrew; Harkins, Robin; Oehrlein, Amanda; Greenlund, Lindsey; Alshebber, Mohammed; Ripp, Nathan; Anderson, Nathaniel T.; Honzay, Benjamin R.; Pappenfus, Ted M.; Janzen, Daron E.; Blank, David A.; Gladfelter, Wayne L.","Excited State Electron Transfer from Donor−π System‒Acceptor Dyes to ZnO Nanocrystals","The Journal of Physical Chemistry C","2020","124","28","15565","15573","10.1021/acs.jpcc.0c03828","","","0.71075","MoKα","","","0.0698","","","","0.1865","","","","","","0.974","","","","has coordinates","257153","2020-10-21","18:00:00",""
"1559284","17.3579","0.0003","13.3131","0.0002","19.0795","0.0003","90","","105.933","0.002","90","","4239.65","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H48 F5 N4 Ni -","- C48 H48 F5 N4 Ni -","- C192 H192 F20 N16 Ni4 -","4","0.5","","Kuntze-Fechner, Maximilian; Holthausen, Max C C.; Marder, Todd B.; Braunschweig, Holger; Krummenacher, Ivo; Radius, Udo; Tendera, Lukas; Verplancke, Hendrik; Diefenbach, Martin","Coligand Role in the NHC Nickel catalyzed C‒F Bond Activation: Investigations on the Insertion of bis(NHC) Nickel into the C‒F Bond of Hexafluorobenzene","Chemical Science","2020","","","","","10.1039/D0SC04237D","","x-ray","1.54184","CuKα","","0.043","0.04","","","0.1067","0.1096","","","","","","1.083","","","","has coordinates","258209","2020-10-21","18:00:00",""
"1559593","14.1982","0.0002","22.6765","0.0003","14.9567","0.0002","90","","90.0258","0.0013","90","","4815.54","0.11","228","","228","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C176 H104 Au16 Fe8 N56 O16 -","8","1","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.048","0.03","","","0.0691","0.0779","","","","","","1.033","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559636","18.90952","0.00014","10.14583","0.00006","28.4275","0.0002","90","","93.3559","0.0007","90","","5444.54","0.06","180","0.1","180","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H33 N3 O2 S -","- C32 H33 N3 O2 S -","- C256 H264 N24 O16 S8 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0372","0.0348","","","0.0905","0.0926","","","","","","1.071","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1560138","17.4514","0.0004","4.6477","0.0001","35.608","0.0008","90","","102.334","0.002","90","","2821.46","0.11","93","","93","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C128 H112 N16 O32 -","8","1","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","x-ray","1.54184","CuKα","","0.0922","0.083","","","0.2263","0.2396","","","","","","1.078","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1560194","9.9866","0.0007","5.67205","0.00019","12.2351","0.0014","90","","111.913","0.007","90","","642.98","0.09","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","carlfriesite","","","- Ca O8 Te3 -","- Ca O8 Te3 -","- Ca4 O32 Te12 -","4","0.5","","Owen P. Missen; Anthony R. Kampf; Stuart J. Mills; Robert M. Housley; John Spratt; Mark D. Welch; Mark F. Coolbaugh; Joe Marty; Marek Chorazewicz; Cristiano Ferraris","The crystal structures of the mixed-valence tellurium oxysalts tlapallite, (Ca,Pb)3CaCu6[Te4+3Te6+O12]2(Te4+O3)2(SO4)2 . 3H2O, and carlfriesite, CaTe4+2Te6+O8","Mineralogical Magazine","2019","83","","439","549","10.1180/mgm.2019.9","","","0.71075","MoKα","","0.0247","0.023","","","0.0528","0.0538","","","","","","1.298","","","","has coordinates","261186","2021-01-25","09:45:53",""
"1561204","25.6264","0.0011","39.0611","0.0018","48.407","0.002","90","","103.147","0.003","90","","47185","4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C252 H148 N42 O57 Tb7 -","- C252 H148 N42 O57 Tb7 -","- C2016 H1184 N336 O456 Tb56 -","8","1","","Zhu, Yuanyuan; Xia, Tifeng; Zhang, Qi; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A Eu/Tb mixed lanthanide coordination polymer with rare 2D thick layers: Synthesis, characterization and ratiometric temperature sensing","Journal of Solid State Chemistry","2018","259","","98","103","10.1016/j.jssc.2018.01.009","","","0.71073","MoKα","","0.1696","0.0823","","","0.2033","0.2659","","","","","","1.031","","","","has coordinates","263248","2021-03-23","09:03:13",""
"1562839","27.1708","0.0003","8.98003","0.00013","58.2262","0.0007","90","","91.0722","0.0012","90","","14204.4","0.3","150","0.4","150","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","xstr1318","","- C92 H169.6 N16 S8 Zn8 -","- C92 H169.6 N16 S8 Zn8 -","- C460 H848 N80 S40 Zn40 -","5","0.625","","Bhide, Malavika; Mears, Kristian Luke; Carmalt, Claire J.; Knapp, Caroline E.","Synthesis, solution dynamics and chemical vapour deposition of heteroleptic zinc complexes via ethyl and amide zinc thioureides","Chemical Science","2021","","","","","10.1039/D1SC01846A","","x-ray","1.54184","CuKα","","0.0497","0.0458","","","0.1158","0.1185","","","","","","1.079","","","","has coordinates","265471","2021-05-25","00:53:29",""
"1563142","22.6297","0.0005","23.9733","0.0005","23.9063","0.0005","90","","92.9909","0.0018","90","","12951.7","0.5","139.9","0.6","139.9","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H100 K N7 O6 Si6 U -","- C48 H100 K N7 O6 Si6 U -","- C384 H800 K8 N56 O48 Si48 U8 -","8","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0934","0.0502","","","0.1186","0.1328","","","","","","0.841","","","","has coordinates","265778","2021-06-04","10:52:11",""
"1563504","12.929","0.003","7.8554","0.0016","17.74","0.004","90","","100.66","0.03","90","","1770.6","0.7","293","0.2","298","0.2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C7 H5 F In N O5 -","- C7 H3 F In N O5 -","- C56 H24 F8 In8 N8 O40 -","8","1","","Kyung Kim, Min; Woo Lee, Dong; Min Ok, Kang","In[NC5H3(CO2)2](OH2)F: A new layered indium-organic framework material (NC5H3(CO2)2=2,6-pyridinedicarboxylate)","Journal of Solid State Chemistry","2010","183","10","2406","2410","10.1016/j.jssc.2010.08.016","","","0.71073","MoKα","","0.0455","0.0319","","","0.0635","0.1109","","","","","","1.316","","","","has coordinates","266475","2021-06-15","08:51:22",""
"1563671","9.3082","0.0003","53.691","0.0012","30.7096","0.0006","90","","97.504","0.002","90","","15216.2","0.7","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","BPTp","4',4''',4''''',4''''''',4'''''''''-(11-(4'-methyl-[1,1'-biphenyl]-4-yl)triphenylene-2,3,6,7,10-pentayl)pentakis(([1,1'-biphenyl]-4-carboxylic acid))","","- C108 H72 Cl6 O12 -","- C108 H72 Cl6 O12 -","- C432 H288 Cl24 O48 -","4","0.5","","Suzuki, Yuto; GUTIÉRREZ, MARIO; Tanaka, Senri; Gomez Garcia, Eduardo; Tohnai, Norimitsu; Yasuda, Nobuhiro; Matubayasi, Nobuyuki; Douhal, Abderrazzak; Hisaki, Ichiro","Construction of Isostructural Hydrogen-bonded Organic Frameworks: Limitations and Possibilities of Pore Expansion","Chemical Science","2021","","","","","10.1039/D1SC02690A","","x-ray","1.54184","CuKα","","0.1786","0.1349","","","0.3858","0.4215","","","","","","1.377","","","","has coordinates,has disorder","266647","2021-06-24","00:55:47",""
"1563852","18.971","0.003","15.5933","0.0016","19.549","0.003","90","","101.681","0.013","90","","5663.2","1.4","293","","293","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 Br Cu2 N10 O14 Sm -","- C48 H58 Br Cu2 N10 O14 Sm -","- C192 H232 Br4 Cu8 N40 O56 Sm4 -","4","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0956","0.0468","","","0.0947","0.1379","","","","","","1.026","","","","has coordinates,has Fobs","266868","2021-07-01","09:25:56",""
"1563853","18.972","0.011","15.53","0.008","19.512","0.009","90","","101.8","0.04","90","","5627","5","293","","293","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 Br Cu2 Eu N10 O14 -","- C48 H58 Br Cu2 Eu N10 O14 -","- C192 H232 Br4 Cu8 Eu4 N40 O56 -","4","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0747","0.0544","","","0.1439","0.1609","","","","","","0.947","","","","has coordinates,has Fobs","266869","2021-07-01","09:28:36",""
"1563854","18.95","0.03","15.55","0.02","19.36","0.03","90","","101.39","0.03","90","","5593","14","566","2","293.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 Br Cu2 Gd N10 O14 -","- C48 H58 Br Cu2 Gd N10 O14 -","- C192 H232 Br4 Cu8 Gd4 N40 O56 -","4","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0828","0.0707","","","0.1654","0.1751","","","","","","1.053","","","","has coordinates,has Fobs","266870","2021-07-01","09:30:41",""
"1563856","18.968","0.013","15.522","0.009","19.472","0.011","90","","101.58","0.05","90","","5616","6","293","2","293.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 Br Cu2 Dy N10 O14 -","- C48 H58 Br Cu2 Dy N10 O14 -","- C192 H232 Br4 Cu8 Dy4 N40 O56 -","4","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0502","0.0417","","","0.0899","0.0944","","","","","","1.097","","","","has coordinates,has Fobs","266872","2021-07-01","09:34:47",""
"1564073","9.93013","0.00009","33.0819","0.0003","23.3061","0.0003","90","","94.7559","0.001","90","","7629.87","0.14","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H74 F4 N8 O2 S3 -","- C80 H74 F4 N8 O2 S3 -","- C320 H296 F16 N32 O8 S12 -","4","0.5","","Li, Xiaojun; Luo, Siwei; sun, huiliang; Liu, Tao; Sung, Herman H-Y.; Yu, Han; Xiao, Yiqun; Bai, Fujin; Pan, Mingao; Lu, Xinhui; Williams, Ian Duncan; Guo, Xugang; Li, Yongfang; Yan, He","Medium Band-Gap Non-fullerene Acceptors Based on Benzothiophene Donor Moiety Enabling High-Performance Indoor Organic Photovoltaics","Energy & Environmental Science","2021","","","","","10.1039/D1EE00687H","","x-ray","1.54184","CuKα","","0.0564","0.0516","","","0.1569","0.1648","","","","","","1.032","","","","has coordinates,has disorder","267418","2021-07-09","02:02:12",""
"1564114","19.2945","0.0005","6.0859","0.0002","37.7878","0.0009","90","","98.136","0.002","90","","4392.5","0.2","290.2","0.3","290.2","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H24 Cl12 Cu2 N4 O18 -","- C28 H24 Cl12 Cu2 N4 O18 -","- C112 H96 Cl48 Cu8 N16 O72 -","4","0.5","","Li, Jun-Xia; Du, Zhong-Xiang; Zhang, Lu-Lu; Liu, Duo-Li; Pan, Qiu-Yue","Doubly mononuclear cocrystal and oxalato-bridged binuclear copper compounds containing flexible 2-((3,5,6-trichloropyridin-2-yl)oxy)acetate tectons: Synthesis, crystal analysis and magnetic properties","Inorganica Chimica Acta","2020","512","","119890","","10.1016/j.ica.2020.119890","","x-ray","0.71073","MoKα","","0.0516","0.0391","","","0.0762","0.0824","","","","","","1.066","","","","has coordinates","267489","2021-07-13","07:27:28",""
"1564312","18.1028","0.0007","14.4854","0.0005","24.8028","0.0009","90","","101.78","0.004","90","","6367","0.4","113","2","113.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34.12 H38.25 Cl1.25 N3 O3 Pd -","- C34.125 H38.25 Cl1.25 N3 O3 Pd -","- C273 H306 Cl10 N24 O24 Pd8 -","8","1","","Dong, Jie; Wang, Baiquan","Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm","Polymer Chemistry","2021","12","32","4736","4747","10.1039/D1PY00699A","","x-ray","0.71073","MoKα","","0.0544","0.0402","","","0.0822","0.09","","","","","","1.043","","","","has coordinates","268963","2021-09-06","12:40:24",""
"1564344","30.0915","0.001","7.7107","0.0001","32.6089","0.0011","90","","117.332","0.004","90","","6721.5","0.4","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H25 Br Cu N3 O7 -","- C36 H25 Br Cu N3 O7 -","- C288 H200 Br8 Cu8 N24 O56 -","8","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0883","0.0845","","","0.2361","0.2394","","","","","","1.123","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564791","17.1405","0.0008","8.3052","0.0004","18.5156","0.0008","90","","102.347","0.004","90","","2574.8","0.2","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate","","- C15 H16 N O1.5 -","- C15 H16 N O1.5 -","- C120 H128 N8 O12 -","8","1","XU4045","Diop, Aboubacar; Diop, Tidiane; Diop, Cheikh Abdou Khadre; Tumanov, Nikolay; Ennio, Zangrando; Sidibé, Mamadou","(3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate","IUCrData","2021","6","9","x210989","","10.1107/S2414314621009895","","","0.71073","MoKα","","0.0568","0.0432","","","0.1123","0.1225","","","","","","1.049","","","","has coordinates,has Fobs","269420","2021-10-01","02:18:57",""
"1564849","11.5109","0.0001","21.0713","0.0002","20.3473","0.0003","90","","98.719","0.001","90","","4878.2","0.1","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H24 Cu N2 O8 S2 -","- C22 H24 Cu N2 O8 S2 -","- C176 H192 Cu8 N16 O64 S16 -","8","1","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0309","0.0296","","","0.0851","0.0861","","","","","","1.06","","","","has coordinates","269811","2021-10-06","23:45:48",""
"1564895","31.9083","0.0016","7.4874","0.0003","32.008","0.0015","90","","94.356","0.003","90","","7624.9","0.6","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H30 N6 O4 Os P -","- C42 H30 N6 O4 Os P -","- C336 H240 N48 O32 Os8 P8 -","8","1","","Lau, Tai-Chu; Xiang, Jing; Ming, Peng; Yi, PAN; Luo, Li-Juan; Cheng, Shun-Cheung; Jin, XinXin; Yiu, Shek-Man; Man, Wai-Lun; Ko, Chi-Chiu; LAU, Kai Chung","Visible Light-Induced Oxidative N-dealkylation of Alkylamines by a Luminescent Osmium(VI) Nitrido Complex","Chemical Science","2021","","","","","10.1039/D1SC04369B","","","0.71073","MoKα","","0.0392","0.0345","","","0.087","0.0919","","","","","","0.731","","","","has coordinates","269879","2021-10-09","22:13:40",""
"1565093","18.9032","0.0003","7.449","0.0001","38.5591","0.0005","90","","96.953","0.001","90","","5389.57","0.13","93","2","93","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene","","- C40 H26 -","- C40 H26 -","- C320 H208 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0411","0.035","","","0.0884","0.0921","","","","","","1.058","","","","has coordinates,has disorder","271236","2021-12-07","04:03:31",""
"1565094","18.8241","0.0003","7.5014","0.0002","38.7559","0.0008","90","","96.531","0.002","90","","5437.1","0.2","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.396 H27.188 O0.198 -","- C323.168 H217.504 O1.584 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0542","0.0425","","","0.1056","0.1129","","","","","","1.053","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1565095","18.8388","0.0004","7.4948","0.0002","38.7701","0.0009","90","","96.653","0.002","90","","5437.2","0.2","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.396 H27.188 O0.198 -","- C323.168 H217.504 O1.584 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0641","0.047","","","0.1132","0.1223","","","","","","1.053","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1565096","18.8286","0.0003","7.498","0.0001","38.7615","0.0006","90","","96.684","0.001","90","","5435.03","0.14","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.394 H27.182 O0.197 -","- C323.152 H217.456 O1.576 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0476","0.0401","","","0.0991","0.1034","","","","","","1.033","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1565238","22.7117","0.0015","14.5551","0.001","27.4","0.003","90","","91.973","0.007","90","","9052.3","1.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H74 Mn5 N24 O12 -","- C94 H74 Mn5 N24 O12 -","- C376 H296 Mn20 N96 O48 -","4","0.5","","Tang, Qun; Yang, Yanli; Cheng, Ze; Chen, Xiuni; Lin, Qingmei; Zou, Zhiming; Zou, Hua-Hong; Liang, Fu-Pei","Construction and magnetic properties of hemicyclic “phoenix crown” manganese clusters: Molecular assembly from {Mn5} to {Mn10} cluster","Inorganica Chimica Acta","2020","504","","119438","","10.1016/j.ica.2020.119438","","","0.71073","MoKα","","0.0904","0.0637","","","0.1641","0.1894","","","","","","1.065","","","","has coordinates","270676","2021-11-16","09:15:09",""
"1565534","10.3099","0.0007","13.9369","0.0008","13.8855","0.0012","90","","93.83","0.002","90","","1990.7","0.2","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H8 Cu N6 S8 -","- C14 H8 Cu N6 S8 -","- C56 H32 Cu4 N24 S32 -","4","0.5","","Huang, Yulong; Mitchell, Travis; Yost, Dillon C.; Hu, Yong; Benedict, Jason B.; Grossman, Jeffrey C.; Ren, Shenqiang","Emerged Metallicity in Molecular Ferromagnetic Wires.","Nano letters","2021","21","22","9746","9753","10.1021/acs.nanolett.1c03663","","","0.71073","MoKα","","0.0447","0.0294","","","0.0642","0.0689","","","","","","1.026","","","","has coordinates","271115","2021-12-04","03:31:56",""
"1565535","8.5718","0.0007","13.3508","0.0009","13.009","0.0007","90","","93.729","0.005","90","","1485.6","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 N4 O2 -","- C16 H16 N4 O2 -","- C64 H64 N16 O8 -","4","0.5","","Purkait, Kallol; Mukherjee, Arindam","Cytotoxicity and reactivity of a redox active 1,4-quinone-pyrazole compound and its Ru(II)-p-cymene complex","Inorganica Chimica Acta","2020","502","","119361","","10.1016/j.ica.2019.119361","","x-ray","0.71073","MoKα","","0.0563","0.047","","","0.1077","0.1182","","","","","","1.063","","","","has coordinates","271122","2021-12-06","08:17:58",""
"1565800","8.3073","0.0008","11.9213","0.0006","42.89","0.002","90","","95.119","0.005","90","","4230.6","0.5","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C21 H18 Ag N O5 -","- C21 H18 Ag N O5 -","- C168 H144 Ag8 N8 O40 -","8","1","","Azmi, Nurul I.; Zhan, Shun-Ze; Li, Jing-Hong; Razali, Mohd. R.","Metal complexes based on substituted aliphatic acid derived from a Diels-Alder adduct: Synthesis and potential ratiometric luminescent temperature sensor of d10 complex","Inorganica Chimica Acta","2019","498","","119167","","10.1016/j.ica.2019.119167","","","0.71073","MoKα","","0.0778","0.0638","","","0.2148","0.2402","","","","","","0.981","","","","has coordinates","271527","2021-12-20","10:10:34",""
"1566158","11.781","0.00019","15.9628","0.0003","41.3531","0.0007","90","","93.4263","0.0016","90","","7762.9","0.2","173","2","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C31 H52 Al B Br4 N4 -","- C31 H52 Al B Br4 N4 -","- C248 H416 Al8 B8 Br32 N32 -","8","1","","Guo, Rui; Zhang, Xin; Li, Tong; Li, Qianli; Ruiz, David A.; Liu, Liu Leo; Tung, Chen-Ho; Kong, Lingbing","Unraveling the reactivity of a cationic iminoborane: avenues to unusual boron cations","Chemical Science","2022","13","8","2303","2309","10.1039/D2SC00002D","","x-ray","1.54184","CuKα","","0.0392","0.0344","","","0.0882","0.0908","","","","","","1.037","","","","has coordinates,has disorder","273348","2022-03-04","22:06:07",""
"1566245","25.2403","0.0001","43.6932","0.0002","49.0721","0.0003","90","","96.672","0.001","90","","53751.6","0.5","100","0.14","100","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C342 H236 Bi38 N4 O178 Ti16 -","- C342 H236 Bi38 N4 O178 Ti16 -","- C1368 H944 Bi152 N16 O712 Ti64 -","4","0.5","","Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian","Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2","Chemical Science","2022","","","","","10.1039/D1SC06847D","","x-ray","1.3405","GaKα","","0.0896","0.0669","","","0.172","0.1947","","","","","","1.018","","","","has coordinates","272400","2022-02-01","23:11:21",""
"1566299","15.851","0.003","9.869","0.002","17.994","0.003","90","","92.952","0.017","90","","2811.1","0.9","112.55","0.1","112.55","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C128 H144 O32 -","8","1","","Chen, De-Li; Chen, Mei-Ying; Hou, Yong; Wang, Can-Hong; Sun, Zhao-Cui; Yang, Yun; Liang, Han-Qiao; Ma, Guo-Xu; Xu, Xu-Dong; Wei, Jian-He","Cadinane-Type Sesquiterpenoids with Cytotoxic Activity from the Infected Stems of the Semi-mangrove <i>Hibiscus tiliaceus</i>.","Journal of natural products","2022","85","1","127","135","10.1021/acs.jnatprod.1c00849","","x-ray","0.71073","MoKα","","0.1895","0.0738","","","0.1119","0.1599","","","","","","0.949","","","","has coordinates","272531","2022-02-04","00:49:49",""
"1566383","22.0537","0.0002","9.5781","0.0001","22.3969","0.0003","90","","98.891","0.001","90","","4674.11","0.09","149","1","149","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H42 B2 F8 Fe N14 -","- C46 H42 B2 F8 Fe N14 -","- C184 H168 B8 F32 Fe4 N56 -","4","0.5","","Birchall, Lee; Truccolo, Giada; Jackson, Lewis; Shepherd, Helena Jane","Co-crystallisation as a Modular Approach to the Discovery of Spin-Crossover Materials","Chemical Science","2022","","","","","10.1039/D1SC04956A","","x-ray","1.54184","CuKα","","0.036","0.0349","","","0.09","0.0908","","","","","","1.043","","","","has coordinates,has disorder","273036","2022-02-18","23:15:33",""
"1566890","16.9198","0.0002","22.2833","0.0002","17.4576","0.0003","90","","117.934","0.002","90","","5815.14","0.17","99.9","0.7","99.9","0.7","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C68 H80 Al2 N4 -","- C68 H80 Al2 N4 -","- C272 H320 Al8 N16 -","4","0.5","","Dhara, Debabrata; Jayaraman, Arumugam; Härterich, Marcel; Dewhurst, Rian; Braunschweig, Holger","Generation of a transient base-stabilised arylalumylene for the facile deconstruction of aromatic molecules","Chemical Science","2022","","","","","10.1039/D2SC01436J","","x-ray","1.54184","CuKα","","0.0434","0.0384","","","0.0984","0.1017","","","","","","1.024","","","","has coordinates","274805","2022-05-02","22:24:42",""
"1566897","21.747","0.002","19.582","0.002","23.834","0.002","90","","90.748","0.007","90","","10148.8","1.6","180.15","","180.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C59.42 H70.28 B N3 -","- C59.4252 H70.2756 B N3 -","- C475.402 H562.205 B8 N24 -","8","1","","Jiang, Long; Wang, Yu; Tan, Dehui; Chen, Xiaobin; Ma, Tinghao; Zhang, Baoliang; Yang, Deng-Tao","Access to tetracoordinate boron-doped polycyclic aromatic hydrocarbons with delayed fluorescence and aggregation-induced emission under mild conditions","Chemical Science","2022","","","","","10.1039/D2SC01722A","","","0.71073","MoKα","","0.1731","0.0957","","","0.2667","0.3228","","","","","","1.017","","","","has coordinates,has disorder","274807","2022-05-02","22:26:36",""
"1566943","29.457","0.002","16.1306","0.0012","46.333","0.004","90","","105.969","0.005","90","","21166","3","150.15","","150.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C109 H177 O6 Tm3 -","- C109 H177 O6 Tm3 -","- C872 H1416 O48 Tm24 -","8","1","","Simler, Thomas; McCabe, Karl Nael; Maron, Laurent; Nocton, Grégory","CO reductive oligomerization by a divalent thulium complex and CO2-induced functionalization","Chemical Science","2022","","","","","10.1039/D2SC01798A","","","0.71073","MoKα","","0.071","0.0366","","","0.0674","0.0784","","","","","","1.006","","","","has coordinates","275283","2022-05-09","22:13:20",""
"1567099","21.1606","0.001","7.1694","0.0003","25.5604","0.0014","90","","110.862","0.006","90","","3623.5","0.3","201","130","201","130","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","'2,5-bis(6-methylpyridin-2-yl)-4-(p-tolyl)oxazole'","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C176 H152 N24 O8 -","8","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0812","0.0548","","","0.15","0.1725","","","","","","1.086","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567113","25.7535","0.0005","24.5293","0.0006","24.9163","0.0004","90","","91.174","0.002","90","","15736.7","0.6","173","0.1","173","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H53 Ag5 F9 N17 O9 S3 -","- C57 H53 Ag5 F9 N17 O9 S3 -","- C456 H424 Ag40 F72 N136 O72 S24 -","8","1","","Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang","Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction.","Chemical science","2022","13","27","8095","8103","10.1039/d2sc00989g","","","1.54184","CuKα","","0.0918","0.0728","","","0.1979","0.2182","","","","","","1.031","","","","has coordinates,has disorder","277099","2022-08-06","11:41:47",""
"1567141","23.012","0.003","6.0848","0.0009","10.6386","0.0013","90","","91.194","0.009","90","","1489.3","0.3","293","","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H16 N4 Ni O4 S -","- C12 H16 N4 Ni O4 S -","- C48 H64 N16 Ni4 O16 S4 -","4","0.5","","González Guillén, Anabel B.; Konieczny, Piotr; Luberda-Durnaś, Katarzyna; Oszajca, Marcin; Kozieł, Marcin; Łasocha, Wiesław","Tuning magnetic properties by crystal engineering in a family of coordination polymers based on Ni(ii) sulphates","New Journal of Chemistry","2022","46","31","14786","14792","10.1039/D2NJ01188C","powder diffraction","x-ray","1.5418","CuKα","","0.0555","0.0555","","0.0656","0.0656","","","","3.7","","","","","","","has coordinates","277676","2022-09-06","10:13:43",""
"1567284","22.442","0.005","10.441","0.002","41.64","0.014","90","","91.84","0.03","90","","9752","4","100","2","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H40 Cu F6 N8 P -","- C30 H40 Cu F6 N8 P -","- C360 H480 Cu12 F72 N96 P12 -","12","1.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.0791","0.0682","","","0.1684","0.1757","","","","","","1.095","","","","has coordinates","276801","2022-07-22","22:46:27",""
"1567287","22.769","0.005","10.613","0.002","42.709","0.017","90","","90.75","0.03","90","","10320","5","240","2","240","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H40 Cu F3 N8 O3 S -","- C31 H40 Cu F3 N8 O3 S -","- C372 H480 Cu12 F36 N96 O36 S12 -","12","1.5","","Heck, Joshua; Metz, Fabian; Buchenau, Sören; Teubner, Melissa; Grimm-Lebsanft, Benjamin; Spaniol, Thomas P.; Hoffmann, Alexander; Rübhausen, Michael A.; Herres-Pawlis, Sonja","Manipulating electron transfer – the influence of substituents on novel copper guanidine quinolinyl complexes","Chemical Science","2022","13","28","8274","8288","10.1039/D2SC02910C","","x-ray","0.71073","MoKα","","0.1187","0.0527","","","0.1128","0.1277","","","","","","0.922","","","","has coordinates,has disorder","276801","2022-07-22","22:46:28",""
"1567467","32.5289","0.0011","13.8777","0.0004","32.5269","0.0015","90","","96.618","0.004","90","","14585.7","0.9","123","2","123","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C79 H55.5 B Cl2 F20 N3 O3 -","- C79 H55.5 B Cl2 F20 N3 O3 -","- C632 H444 B8 Cl16 F160 N24 O24 -","8","1","","Sato, Hiroki; Suizu, Rie; Kato, Tomoki; Yagi, Akiko; Segawa, Yasutomo; Awaga, Kunio; Itami, Kenichiro","N-doped nonalternant aromatic belt via a six-fold annulative double N-arylation","Chemical Science","2022","","","","","10.1039/D2SC02647C","","x-ray","0.71073","MoKα","","0.2728","0.1162","","","0.3059","0.3935","","","","","","1.021","","","","has coordinates,has disorder","277219","2022-08-12","22:14:32",""
"1567553","24.4164","0.0005","11.4199","0.0002","29.7959","0.0006","90","","106.683","0.002","90","","7958.4","0.3","140","0.1","140","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H114 N10 Si12 U2 -","- C44 H114 N10 Si12 U2 -","- C176 H456 N40 Si48 U8 -","4","0.5","","Modder, dieuwertje; Batov, Mikhail; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Assembling Diuranium Complexes in Different States of Charge with a Bridging Redox-Active Ligand","Chemical Science","2022","","","","","10.1039/D2SC03592H","","x-ray","1.54184","CuKα","","0.0359","0.032","","","0.0861","0.0879","","","","","","1.018","","","","has coordinates","277508","2022-08-31","22:13:20",""
"1567555","29.9688","0.0016","11.6805","0.0005","32.306","0.003","90","","115.332","0.009","90","","10221.3","1.4","140","0.1","140","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C62 H150 K N12 O6 Si12 U2 -","- C62 H150 K N12 O6 Si12 U2 -","- C248 H600 K4 N48 O24 Si48 U8 -","4","0.5","","Modder, dieuwertje; Batov, Mikhail; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Sienkiewicz, Andrzej; Maron, Laurent; Mazzanti, Marinella","Assembling Diuranium Complexes in Different States of Charge with a Bridging Redox-Active Ligand","Chemical Science","2022","","","","","10.1039/D2SC03592H","","x-ray","1.54184","CuKα","","0.1091","0.0771","","","0.2026","0.2502","","","","","","1.019","","","","has coordinates","277508","2022-08-31","22:13:21",""
"1567582","17.3378","0.0009","16.0403","0.001","38.924","0.002","90","","95.096","0.005","90","","10782.1","1","150","0.14","150","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C57 H84 F3 N2 O4.5 S -","- C57 H84 F3 N2 O4.5 S -","- C456 H672 F24 N16 O36 S8 -","8","1","","Théry, Valentin; Molton, Florian; Sirach, Selim; Tillet, Neven; Pécaut, Jacques; Tomás-Mendivil, Eder; Martin, David","The curious case of a sterically crowded Stenhouse salt","Chemical Science","2022","13","33","9755","9760","10.1039/D2SC01895K","","x-ray","0.71073","MoKα","","0.1844","0.0859","","","0.2195","0.2793","","","","","","1.014","","","","has coordinates,has disorder","277625","2022-09-05","06:17:20",""
"1567652","22.0567","0.0003","7.5133","0.0001","32.5379","0.0006","90","","109.612","0.002","90","","5079.32","0.15","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29.5 H31 Cl N2 -","- C29.5 H31 Cl N2 -","- C236 H248 Cl8 N16 -","8","1","","Cui, Xian-Chao; Zhang, Hu; Wang, Yi-Ping; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of carbinoxamine via α-C(sp3)–H 2-pyridylation of O, S or N-containing compounds enabled by non-D–A-type super organoreductants and sulfoxide- or sulfide HAT reagents","Chemical Science","2022","13","37","11246","11251","10.1039/D2SC03504A","","x-ray","1.54184","CuKα","","0.0732","0.0655","","","0.1823","0.1908","","","","","","1.065","","","","has coordinates","278406","2022-10-07","00:48:11",""
"1567655","20.6359","0.0004","5.1809","0.0001","27.7349","0.0006","90","","104.528","0.002","90","","2870.4","0.1","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H28 Br4 N4 O4 -","- C24 H28 Br4 N4 O4 -","- C96 H112 Br16 N16 O16 -","4","0.5","","Kerckhoffs, Aidan; Christensen, Kirsten E.; Langton, Matthew J.","Fast relaxing red and near-IR switchable azobenzenes with chalcogen and halogen substituents: periodic trends, tuneable thermal half-lives and chalcogen bonding.","Chemical science","2022","13","39","11551","11559","10.1039/d2sc04601f","","","1.54184","CuKα","","0.1044","0.1031","","0.0666","0.0656","0.0666","","","","","","1.1565","","","","has coordinates","278982","2022-11-07","05:20:34",""
"1567805","11.2729","0.0004","20.2466","0.0007","19.5699","0.0006","90","","92.742","0.003","90","","4461.5","0.3","100.15","","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H56 F9 N6 O9 S3 -","- C35 H56 F9 N6 O9 S3 -","- C140 H224 F36 N24 O36 S12 -","4","0.5","","Nayak, Mithilesh Kumar; Sarkar, Pallavi; Elvers, Benedict J.; Mehta, Sakshi; Zhang, Fangyuan; Chrysochos, Nicolas; Krummenacher, Ivo; Vijayakanth, Thangavel; Narayanan, Ramakirushnan Suriya; Dolai, Ramapada; Roy, Biswarup; Malik, Vishal; Rawat, Hemant; Mondal, Abhishake; Boomishankar, Ramamoorthy; Pati, Swapan K.; Braunschweig, Holger; Schulzke, Carola; Ravat, Prince; Jana, Anukul","A bis-NHC–CAAC dimer derived dicationic diradical","Chemical Science","2022","13","42","12533","12539","10.1039/D2SC03937K","","","0.71073","MoKα","","0.0544","0.0479","","","0.1248","0.1283","","","","","","1.065","","","","has coordinates,has disorder","278973","2022-11-07","05:15:50",""
"1568097","9.3367","0.0001","11.1259","0.0001","22.22","0.0002","90","","99.672","0.001","90","","2275.39","0.04","160","1","160","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H5 Cl N O6 Re -","- C9 H5 Cl N O6 Re -","- C72 H40 Cl8 N8 O48 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0136","0.0134","","","0.033","0.0336","","","","","","1.289","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568101","9.2924","0.0002","11.1464","0.0003","22.2675","0.0006","90","","100.09","0.002","90","","2270.73","0.1","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H8 N O6 Re -","- C10 H8 N O6 Re -","- C80 H64 N8 O48 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0257","0.0246","","","0.0638","0.0645","","","","","","1.089","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568102","22.7527","0.0002","10.614","0.0001","21.7337","0.0002","90","","109.916","0.001","90","","4934.72","0.08","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H18 N2 O13 Re2 -","- C20 H18 N2 O13 Re2 -","- C160 H144 N16 O104 Re16 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0183","0.0179","","","0.0429","0.0431","","","","","","1.141","","","","has coordinates","281396","2023-03-04","18:05:07",""
"1568111","8.8821","0.0001","11.136","0.0002","26.399","0.0004","90","","93.457","0.001","90","","2606.4","0.07","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N O8 Re -","- C10 H10 N O8 Re -","- C80 H80 N8 O64 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0165","0.0164","","","0.0419","0.042","","","","","","1.156","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568116","9.1881","0.0001","11.0679","0.0001","25.0097","0.0003","90","","97.989","0.001","90","","2518.63","0.05","160","1","160","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N O7 Re -","- C10 H10 N O7 Re -","- C80 H80 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.0228","0.0222","","","0.0574","0.0575","","","","","","1.203","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568119","9.0438","0.0001","11.1598","0.0002","23.9385","0.0004","90","","96.213","0.001","90","","2401.85","0.06","160","1","160","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H7 F N O7 Re -","- C9 H7 F N O7 Re -","- C72 H56 F8 N8 O56 Re8 -","8","1","","Karges, Johannes; Giardini, Miriam A.; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M.","Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes.","Chemical science","2023","14","3","711","720","10.1039/d2sc05473f","","x-ray","1.54184","CuKα","","0.018","0.0174","","","0.0463","0.0467","","","","","","1.154","","","","has coordinates,has disorder","281396","2023-03-04","18:05:07",""
"1568202","25.8831","0.001","5.6524","0.0004","43.78","0.002","90","","94.085","0.004","90","","6388.8","0.6","150","","150","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29 H52 N4 O6 -","- C29 H52 N4 O6 -","- C232 H416 N32 O48 -","8","1","","Alexander, Carlson; Thom, James A.; Kenwright, Alan M.; Christensen, Kirsten E.; Sørensen, Thomas Just; Faulkner, Stephen","Chelating chloride using binuclear lanthanide complexes in water.","Chemical science","2023","14","5","1194","1204","10.1039/d2sc05417e","","","1.54184","CuKα","","0.0867","0.0553","","0.1556","0.1266","0.1556","","","","","","0.9888","","","","has coordinates,has disorder","283154","2023-05-05","00:57:59",""
"1568352","15.389","0.003","8.8015","0.0018","23.005","0.009","90","","101.75","0.03","90","","3050.6","1.5","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 N6 O2 Sn2 -","- C34 H34 N6 O2 Sn2 -","- C136 H136 N24 O8 Sn8 -","4","0.5","","Sikora, Philipp; Naumann, Robert; Förster, Christoph; Heinze, Katja","Excited state energy landscape of phosphorescent group 14 complexes.","Chemical science","2023","14","10","2489","2500","10.1039/d2sc06984a","","","0.71073","MoKα","","0.0309","0.0293","","","0.0719","0.073","","","","","","1.11","","","","has coordinates","283149","2023-05-05","00:54:10",""
"1568599","20.845","0.0009","4.6353","0.0002","22.7163","0.0011","90","","107.329","0.005","90","","2095.29","0.17","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 N5 -","- C12 H9 N5 -","- C96 H72 N40 -","8","1","","Ershov, Ivan S.; Esikov, Kirill A.; Nesterova, Olga M.; Skryl’nikova, Mariya A.; Khramchikhin, Andrey V.; Shmaneva, Nadezda T.; Chernov, Ivan S.; Chernova, Ekaterina N.; Puzyk, Aleksandra M.; Sivtsov, Eugene V.; Pavlyukova, Yuliya N.; Trifonov, Rostislav E.; Ostrovskii, Vladimir A.","3-(5-Phenyl-2H-tetrazol-2-yl)pyridine","Molbank","2023","2023","1","M1598","","10.3390/M1598","","x-ray","1.54184","CuKα","","0.0433","0.0386","","","0.0966","0.0996","","","","","","1.064","","","","has coordinates","281634","2023-03-05","21:04:46",""
"1568820","16.2725","0.0002","5.9701","0.0001","23.8665","0.0003","90","","103.114","0.001","90","","2258.13","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Gorenskaia, Elena; Potter, Jarred; Korb, Marcus; Lambert, Colin; Low, Paul J.","Exploring relationships between chemical structure and molecular conductance: from α,ω-functionalised oligoynes to molecular circuits.","Nanoscale","2023","15","25","10573","10583","10.1039/d3nr01034a","","x-ray","1.54184","CuKα","","0.036","0.0342","","","0.0906","0.092","","","","","","1.07","","","","has coordinates","284926","2023-07-05","10:25:06",""
"1569030","20.0701","0.0004","6.4604","0.0001","22.2814","0.0005","90","","107.245","0.002","90","","2759.15","0.1","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 Gd K4 N7 O6 S7 -","- C7 H4 Gd K4 N7 O6 S7 -","- C28 H16 Gd4 K16 N28 O24 S28 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0187","0.0162","","","0.0429","0.0439","","","","","","1.122","","","","has coordinates","283515","2023-05-05","10:40:31",""
"1569031","20.0808","0.0004","6.4405","0.0001","22.2609","0.0004","90","","107.379","0.002","90","","2747.58","0.09","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 Dy K4 N7 O6 S7 -","- C7 H4 Dy K4 N7 O6 S7 -","- C28 H16 Dy4 K16 N28 O24 S28 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0241","0.0187","","","0.041","0.0487","","","","","","1.16","","","","has coordinates","283516","2023-05-05","10:41:03",""
"1569032","20.0705","0.0005","6.4492","0.0001","22.255","0.0005","90","","107.304","0.003","90","","2750.28","0.11","120","","120","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C7 H4 K4 N7 O6 S7 Tb -","- C7 H4 K4 N7 O6 S7 Tb -","- C28 H16 K16 N28 O24 S28 Tb4 -","4","0.5","","Wan, Qingyun; Arczyński, Mirosław; Wakizaka, Masanori; Gupta, Shraddha; Funakoshi, Nobuto; Yamashita, Masahiro","Single-Ion Magnetism in a Three-Dimensional Thiocyanate-Bridged Dysprosium(III) Framework","Chemistry","2023","5","2","987","995","10.3390/chemistry5020067","","x-ray","0.71073","MoKα","","0.0313","0.025","","","0.0615","0.0645","","","","","","1.072","","","","has coordinates","283517","2023-05-05","10:41:25",""
"1569125","28.2746","0.0008","33.2019","0.0008","29.4805","0.001","90","","106.484","0.003","90","","26537.9","1.4","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C103 H111 Ag3 Au6 B5 F20 N21 -","- C103 H111 Ag3 Au6 B5 F20 N21 -","- C824 H888 Ag24 Au48 B40 F160 N168 -","8","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.1197","0.097","","","0.2906","0.3128","","","","","","1.109","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569126","35.541","0.0003","15.07664","0.00017","50.5683","0.0005","90","","93.2056","0.0009","90","","27054.1","0.5","93","2","93","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C123 H109 Ag4 Au6 B6 Cl4 F24 N27 -","- C123 H108.5 Ag4 Au6 B6 Cl4 F24 N27 -","- C984 H868 Ag32 Au48 B48 Cl32 F192 N216 -","8","1","","Lei, Zhen; Zhao, Pei; Pei, Xiao-Li; Ube, Hitoshi; Ehara, Masahiro; Shionoya, Mitsuhiko","Photoluminescence control by atomically precise surface metallization of C-centered hexagold(i) clusters using N-heterocyclic carbenes.","Chemical science","2023","14","23","6207","6215","10.1039/d3sc01976d","","x-ray","1.54184","CuKα","","0.068","0.0605","","","0.1686","0.1753","","","","","","1.05","","","","has coordinates,has disorder","284904","2023-07-05","09:48:05",""
"1569162","14.8971","0.0001","23.3372","0.0002","33.3618","0.0003","90","","92.469","0.001","90","","11587.7","0.16","100.01","0.1","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C58 H63 Br N4 O4 -","- C58 H63 Br N4 O4 -","- C464 H504 Br8 N32 O32 -","8","1","","Perera, Tharushi A.; Taylor, William V.; Gildner, M. Brenton; Reinheimer, Eric W.; Ito, Sho; Nelson, Anna; Yost, Shane R.; Hudnall, Todd W.","Photochemical reactions of a diamidocarbene: cyclopropanation of bromonaphthalene, addition to pyridine, and activation of sp<sup>3</sup> C-H bonds.","Chemical science","2023","14","29","7867","7874","10.1039/d2sc05122b","","","1.54184","CuKα","","0.0541","0.0518","","","0.1375","0.1389","","","","","","1.068","","","","has coordinates,has disorder","286027","2023-09-05","19:04:39",""
"1569168","18.16775","0.00017","13.05007","0.00009","30.7237","0.0002","90","","102.709","0.0008","90","","7105.83","0.1","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H51 Al K N3 O1.5 Si2 -","- C29 H47 Al K N3 O Si2 -","- C232 H376 Al8 K8 N24 O8 Si16 -","8","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Coles, Martyn P.","Controlled reductive C-C coupling of isocyanides promoted by an aluminyl anion.","Chemical science","2023","14","23","6278","6288","10.1039/d3sc01387a","","x-ray","1.54184","CuKα","","0.0399","0.0384","","","0.1108","0.1123","","","","","","1.027","","","","has coordinates","284906","2023-07-05","09:49:11",""
"1569369","15.167","0.0004","10.9238","0.0004","11.5354","0.0004","90","","94.397","0.003","90","","1905.57","0.11","293.9","0.2","293.9","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H15 N O2 -","- C28 H15 N O2 -","- C112 H60 N4 O8 -","4","0.5","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","x-ray","1.54184","CuKα","","0.0637","0.0606","","","0.1541","0.1589","","","","","","1.081","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569480","21.8311","0.0011","8.2255","0.0004","29.1754","0.0014","90","","93.759","0.004","90","","5227.8","0.4","113.15","","113.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ethyl (E)-3-(3-((3-(2-cyanophenyl)-2,5-dimethyl-1H-indol-1-yl)sulfonyl)-5-methylphenyl)acrylate","","- C29.5 H28 N2 O4.5 S -","- C29.5 H28 N2 O4.5 S -","- C236 H224 N16 O36 S8 -","8","1","","Zhang, Pengfei; Jiang, Zhiwei; Fan, Zhoulong; Li, Guoshuai; Ma, Qingxue; Huang, Jun; Tang, Jinghong; Xu, Xiaohua; Yu, Jin-Quan; Jin, Zhong","Macrocyclization <i>via</i> remote <i>meta</i>-selective C-H olefination using a practical indolyl template.","Chemical science","2023","14","31","8279","8287","10.1039/d3sc01670f","","x-ray","0.71073","MoKα","","0.1549","0.0815","","","0.1636","0.2054","","","","","","1.036","","","","has coordinates,has disorder","286065","2023-09-05","19:19:34",""
"1569489","17.2008","0.0002","8.132","0.0001","33.0797","0.0003","90","","91.243","0.001","90","","4626","0.09","169.99","0.11","169.99","0.11","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H16 F8 O4 -","- C28 H16 F8 O4 -","- C224 H128 F64 O32 -","8","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.0396","0.0367","","","0.1005","0.1025","","","","","","1.049","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569669","28.0881","0.0003","18.3857","0.0002","82.4807","0.001","90","","91.541","0.001","90","","42579.2","0.8","120","","120","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C136 H128 Ag9 Au5 Cu2 O2 P4 S8 -","- C136 H128 Ag9 Au5 Cu2 O2 P4 S8 -","- C1632 H1536 Ag108 Au60 Cu24 O24 P48 S96 -","12","1.5","","Cao, Yaoyao; Xu, Ying; Shen, Honglei; Pan, Peiyao; Zou, Xuejuan; Kang, Xi; Zhu, Manzhou","Probing the surface-active sites of metal nanoclusters with atomic precision: a case study of Au<sub>5</sub>Ag<sub>11</sub>.","Nanoscale","2023","15","33","13784","13789","10.1039/d3nr03288d","","x-ray","1.54186","CuKα","","0.0753","0.0423","","","0.0892","0.0952","","","","","","0.821","","","","has coordinates","286155","2023-09-05","20:02:00",""
"1569890","17.306","0.004","9.454","0.0019","36.444","0.011","90","","97.32","0.03","90","","5914","3","100","2","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H24 Cl2 Fe N6 -","- C16 H24 Cl2 Fe N6 -","- C192 H288 Cl24 Fe12 N72 -","12","1.5","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0872","0.0648","","","0.18","0.1933","","","","","","1.025","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569989","9.8916","0.0004","25.9653","0.001","10.937","0.0006","90","","109.525","0.001","90","","2647.5","0.2","90","","90","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H26 N2 S2 -","- C34 H26 N2 S2 -","- C136 H104 N8 S8 -","4","0.5","","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0372","0.0337","","","0.0908","0.0944","","","","","","1.056","","","","has coordinates,has disorder","286553","2023-09-27","02:10:26",""
"1570006","20.2935","0.0007","16.6798","0.0006","25.1409","0.0012","90","","109.835","0.001","90","","8005.1","0.6","273.15","","273.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C76 H56 N4 O4 S4 Zn2 -","- C76 H56 N4 O4 S4 Zn2 -","- C304 H224 N16 O16 S16 Zn8 -","4","0.5","YC5044","Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B.","Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids.","IUCrJ","2023","10","6","","","10.1107/S2052252523008060","","","0.71073","MoKα","","0.0435","0.0337","","","0.0841","0.0893","","","","","","1.06","","","","has coordinates","286553","2023-09-27","02:10:28",""
"1570017","14.635","0.002","10.097","0.002","20.471","0.003","90","","103.824","0.011","90","","2937.4","0.8","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C136 H184 N8 O16 -","8","1","","Just, David; Gonçalves, Carlos R; Vezonik, Uroš; Kaiser, Daniel; Maulide, Nuno","General acid-mediated aminolactone formation using unactivated alkenes.","Chemical science","2023","14","39","10806","10811","10.1039/d3sc04073a","","x-ray","0.71073","MoKα","","0.1699","0.0991","","","0.276","0.3023","","","","","","1.043","","","","has coordinates,has disorder","287313","2023-11-06","06:57:51",""
"1570264","18.1765","0.0003","24.9651","0.0005","32.6981","0.0006","90","","90.4373","0.0017","90","","14837.3","0.5","140","0.1","140","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C112 H242 K2.8 N4 O42.8 Si7.2 U2.54 -","- C112 H242 K2.8 N4 O42.8 Si7.2 U2.54 -","- C448 H968 K11.2 N16 O171.2 Si28.8 U10.16 -","4","0.5","","Jori, Nadir; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Dinitrogen cleavage by a dinuclear uranium(iii) complex.","Chemical science","2023","14","46","13485","13494","10.1039/d3sc05253b","","x-ray","0.71073","MoKα","","0.1323","0.0939","","","0.2434","0.2752","","","","","","1.031","","","","has coordinates,has disorder","288738","2024-01-06","07:21:25",""
"1570443","7.7073","0.0012","4.0885","0.0004","13.233","0.002","90","","93.793","0.016","90","","416.08","0.1","295","2","295","2","","","2650000","","","","","3","I 1 2/a 1","-I 2ya","15","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","0.5","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0417","0.0371","","","0.1052","0.1085","","","","","","1.13","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570492","27.37206","0.00019","15.00755","0.00012","31.8968","0.0003","90","","94.0511","0.0007","90","","13070.1","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C92 H96 Fe6 In13 N6 O46 -","- C92 H96 Fe6 In13 N6 O46 -","- C368 H384 Fe24 In52 N24 O184 -","4","0.5","","Zhang, Rong; Lan, Jiajing; Wang, Fei; Chen, Shumei; Zhang, Jian","Aggregate assembly of ferrocene functionalized indium-oxo clusters.","Chemical science","2024","15","2","726","735","10.1039/d3sc05824g","","x-ray","1.3405","GaKα","","0.0685","0.0641","","","0.1829","0.1872","","","","","","1.082","","","","has coordinates","289423","2024-02-04","11:32:58",""
"1570527","23.6994","0.0002","8.0465","0.0001","33.4683","0.0002","90","","99.912","0.001","90","","6287.04","0.1","173","2","173","2","","","","","","","synthesis as described","7","I 1 2/a 1","-I 2ya","15","","","","- C30 H31 B F4 Mn N5 O3 -","- C30 H31 B F4 Mn N5 O3 -","- C240 H248 B8 F32 Mn8 N40 O24 -","8","1","","Gulyaeva, Ekaterina S.; Osipova, Elena S.; Kovalenko, Sergey A.; Filippov, Oleg A.; Belkova, Natalia V.; Vendier, Laure; Canac, Yves; Shubina, Elena S.; Valyaev, Dmitry A.","Two active species from a single metal halide precursor: a case study of highly productive Mn-catalyzed dehydrogenation of amine-boranes <i>via</i> intermolecular bimetallic cooperation.","Chemical science","2024","15","4","1409","1417","10.1039/d3sc05356c","","x-ray","1.54184","CuKα","","0.0387","0.0365","","","0.1003","0.1023","","","","","","1.042","","","","has coordinates","289406","2024-02-04","11:29:51",""
"1570561","15.4103","0.0003","10.1338","0.0002","13.4284","0.0002","90","","108.692","0.002","90","","1986.44","0.07","291.15","","291.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tetraaqua(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) naphthalene-1,5-disulfonate dihydrate","","- C12 H26 N2 Ni O12 S2 -","- C12 H26 N2 Ni O12 S2 -","- C48 H104 N8 Ni4 O48 S8 -","4","0.5","WM4202","Suyunov, Jabbor R.; Turaev, Khayit Kh.; Alimnazarov, Bekmurod Kh.; Ibragimov, Aziz B.; Mengnorov, Islombek J.; Rasulov, Abdusamat A.; Ashurov, Jamshid M.","Tetraaqua(ethane-1,2-diamine-κ2 N,N′)nickel(II) naphthalene-1,5-disulfonate dihydrate","IUCrData","2023","8","12","","","10.1107/S2414314623010325","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0847","0.0851","","","","","","1.047","","","","has coordinates","288338","2023-12-15","03:15:36",""
"1570568","10.4642","0.0002","6.74981","0.00013","12.5396","0.0003","90","","102.739","0.002","90","","863.89","0.03","293","2","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Dy2 O5 Si -","- Dy2 O5 Si -","- Dy16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0329","0.0269","","","0.0561","0.0603","","","","","","1.168","","","","has coordinates","288377","2023-12-18","09:36:34",""
"1570569","10.4617","0.0003","6.74837","0.00016","12.5382","0.0003","90","","102.748","0.003","90","","863.37","0.04","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Dy2 O5 Si -","- Dy2 O5 Si -","- Dy16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0338","0.0277","","","0.0575","0.06","","","","","","1.152","","","","has coordinates","288378","2023-12-18","09:36:55",""
"1570570","10.369","0.0003","6.7028","0.0002","12.464","0.0003","90","","102.533","0.003","90","","845.62","0.04","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Er2 O5 Si -","- Er2 O5 Si -","- Er16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0388","0.0318","","","0.0653","0.0684","","","","","","1.18","","","","has coordinates","288379","2023-12-18","09:37:16",""
"1570571","10.4156","0.0002","6.7273","0.0001","12.5019","0.0003","90","","102.63","0.002","90","","854.8","0.03","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Ho2 O5 Si -","- Ho2 O5 Si -","- Ho16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0295","0.0264","","","0.0598","0.0614","","","","","","1.157","","","","has coordinates","288380","2023-12-18","09:37:37",""
"1570813","23.8532","0.0003","21.0638","0.0003","21.3167","0.0003","90","","97.97","0.001","90","","10606.9","0.3","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50 H51 B F15 K N O4 -","- C50 H51 B F15 K N O4 -","- C400 H408 B8 F120 K8 N8 O32 -","8","1","","Morales, Agustín; Gonçalves, Caroline; Sournia-Saquet, Alix; Vendier, Laure; Lledós, Agustí; Baslé, Olivier; Bontemps, Sébastien","Single electron reduction of NHC-CO<sub>2</sub>-borane compounds.","Chemical science","2024","15","9","3165","3173","10.1039/d3sc06325a","","x-ray","1.54184","CuKα","","0.0582","0.0529","","","0.1471","0.1518","","","","","","1.032","","","","has coordinates,has disorder","290133","2024-03-04","20:04:33",""
"1570978","15.4196","0.001","7.0728","0.0005","44.912","0.002","90","","93.069","0.005","90","","4891.1","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C31 H23 Br N2 O -","- C31 H23 Br N2 O -","- C248 H184 Br8 N16 O8 -","8","1","","Zhong, Weiren; Zhang, Jianyu; Lin, Yuting; Li, Shouji; Yang, Yalan; Wang, Wen-Jin; Si, Chuanling; Kühn, Fritz E; Zhao, Zheng; Cai, Xu-Min; Tang, Ben Zhong","Multi-site isomerization of synergistically regulated stimuli-responsive AIE materials toward multi-level decryption.","Chemical science","2024","15","11","3920","3927","10.1039/d3sc06191d","","x-ray","1.54184","CuKα","","0.1187","0.078","","","0.1931","0.2582","","","","","","1.065","","","","has coordinates","290854","2024-04-04","22:50:34",""
"1571063","18.072","0.003","9.2591","0.0016","42.868","0.008","90","","93.026","0.011","90","","7163","2","150","2","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H38 B N O S -","- C48 H38 B N O S -","- C384 H304 B8 N8 O8 S8 -","8","1","","Li, Chuan; Zhang, Kai; Luo, Yanju; Yang, Yang; Huang, Yong; Jia, Mengjiao; He, Yuling; Lei, Yue; Tang, Jian-Xin; Huang, Yan; Lu, Zhiyun","Realizing highly efficient deep-blue organic light-emitting diodes towards Rec.2020 chromaticity by restricting the vibration of the molecular framework.","Chemical science","2024","15","13","4790","4796","10.1039/d3sc06763g","","","0.71073","MoKα","","0.127","0.0786","","","0.1906","0.2243","","","","","","1.047","","","","has coordinates","290844","2024-04-04","22:48:03",""
"1571423","10.398","0.0002","19.9938","0.0003","22.173","0.0004","90","","95.895","0.002","90","","4585.29","0.14","223.15","","223.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H44 F12 Li4 N4 O14 S5 -","- C24 H44 F12 Li4 N4 O14 S5 -","- C96 H176 F48 Li16 N16 O56 S20 -","4","0.5","","Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide","Evolving Better Solvate Electrolytes for Lithium Secondary Batteries","Chemical Science","2024","","","","","10.1039/D4SC01492H","","x-ray","1.54184","CuKα","","0.0593","0.0543","","","0.1543","0.1601","","","","","","1.044","","","","has coordinates,has disorder","291198","2024-04-15","22:21:12",""
"1571471","8.313","0.0004","7.2925","0.0004","6.4432","0.0003","90","","102.186","0.002","90","","381.8","0.03","","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C3 Na2 O2 -","- C3 Na2 O2 -","- C12 Na8 O8 -","4","0.5","","Krüger, Markus; Lamann-Glees, Alexandra; Sebastian, Sean S; Siegel, Renée; Senker, Jürgen; Hempelmann, Jan; Dronskowski, Richard; Ruschewitz, Uwe","Na<sub>2</sub>C<sub>3</sub>O<sub>2</sub>: The First Crystalline Compound with the Elusive <sup>-</sup>C≡C-COO<sup>-</sup> Anion.","Angewandte Chemie (International ed. in English)","2024","","","e202402978","","10.1002/anie.202402978","powder diffraction","x-ray","0.47674","","","","","","","","","","0.0516","","","","","","","","has coordinates","291307","2024-04-21","18:51:19",""
"2000163","15.108","0.003","4.636","0.001","28.819","0.003","90","","98.62","0.01","90","","1995.7","0.6","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","","","","","- C6 H16 N O6 P -","- C6 H16 N O6 P -","- C48 H128 N8 O48 P8 -","8","1","MU0267","Macíček, J.; Vladkova, T.","Structure of {εpsilon}-ammoniohexanoic acid dihydrogenphosphate","Acta Crystallographica Section C","1991","47","12","2709","2711","10.1107/S0108270191007801","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000182","17.607","0.004","8.213","0.002","19.976","0.005","90","","93.09","0.03","90","","2884.5","1.2","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","","","","","- C18 H15 Br O -","- C18 H15 Br O -","- C144 H120 Br8 O8 -","8","1","CR0329","Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J.","Structure and photochemistry of a cyclohexenone and its solid-state photoproduct","Acta Crystallographica Section C","1991","47","11","2417","2419","10.1107/S0108270191006212","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000248","23.95","0.02","6.55","0.006","26.59","0.02","90","","96.4","0.1","90","","4145","6","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","","","","","- C25 H18 Cl2 O -","- C25 H18 Cl2 O -","- C200 H144 Cl16 O8 -","8","1","LI0064","Barnes, J. C.; Horspool, W. M.; Mackie, F. I.","6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol","Acta Crystallographica Section C","1991","47","9","1881","1885","10.1107/S0108270191001932","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000426","23.807","0.006","9.548","0.001","24.192","0.006","90","","136.48","0.02","90","","3787","2","","","","","","","","","","","","5","I 1 2/a 1","","","","","","- C14 H16 I2 Pt Te2 -","- C14 H16 I2 Pt Te2 -","- C112 H128 I16 Pt8 Te16 -","8","1","MU0295","Levason, W.; Webster, M.; Mitchell, C. J.","Structure of <i>trans</i>-diiodobis(methyl phenyl telluride)platinum(II)","Acta Crystallographica Section C","1992","48","11","1931","1933","10.1107/S0108270192003354","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000430","30.4088","0.0015","11.5561","0.0003","22.9996","0.001","90","","101.437","0.003","90","","7921.7","0.6","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H21 N2 P -","- C24 H21 N2 P -","- C384 H336 N32 P16 -","16","2","AL0527","Llamas-Saiz, A. L.; Foces-Foces, C.; Elguero, J.; Molina, P.; Alajarín, M.; Vidal, A.","Effect of the protonation and of the <i>ortho</i> substitution on the structure of aryliminophosphoranes","Acta Crystallographica Section C","1992","48","11","1940","1945","10.1107/S0108270192001811","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","288374","2023-12-18","07:44:25",""
"2000921","25.259","0.002","4.876","0.002","28.326","0.002","90","","96.215","0.002","90","","3468.2","1.5","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","","","","","- C20 H18 Br N O4 -","- C20 H18 Br N O4 -","- C160 H144 Br8 N8 O32 -","8","1","AB0225","Atkinson, A. M.; Rogers, D.","Structure of 4-bromo-13α-methyl-13aα<i>H</i>-tetrahydropseudocoptisin","Acta Crystallographica Section C","1992","48","5","931","932","10.1107/S0108270191011666","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000926","16.288","0.0006","7.5741","0.0003","22.6836","0.0008","90","","96.606","0.004","90","","2779.83","0.18","","","","","","","","","","","","5","I 1 2/a 1","","","","","","- C18 H28 N10 Ni O16 -","- C18 H28 N10 Ni O16 -","- C72 H112 N40 Ni4 O64 -","4","0.5","AL0511","Clegg, W.; Bharadwaj, P. K.; Mandal, S.","Structure of [Ni(OH~2~)~2~(NH~2~CH~2~CH~2~CH~2~NH~2~)~2~][picrate]~2~","Acta Crystallographica Section C","1992","48","5","942","943","10.1107/S0108270191012672","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001151","16.562","0.001","9.704","0.001","36.591","0.002","90","","92.21","0.01","90","","5876.4","0.8","294","1","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","FeBAMP","Bis(2,6-diaminomethylpyridine)Fe(II)Dichloride . 1.67Hydrate","","- C14 H25.33 Cl2 Fe N6 O1.67 -","- C14 H25.3333 Cl2 Fe N6 O1.66667 -","- C168 H304 Cl24 Fe12 N72 O20 -","12","1.5","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.029","0.029","","0.046","0.049","","","","","0.74","0.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001152","16.477","0.002","9.677","0.001","36.534","0.005","90","","91.9","0.01","90","","5822.1","1.2","294","1","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","NiBAMP","Bis(2,6-diaminomethylpyridine)Ni(II)Dichloride 1.67Hydrate","","- C14 H25.33 Cl2 N6 Ni O1.67 -","- C14 H25.3333 Cl2 N6 Ni O1.66667 -","- C168 H304 Cl24 N72 Ni12 O20 -","12","1.5","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.036","0.036","","0.051","0.051","","","","","0.94","0.94","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001153","16.54","0.001","9.709","0.001","36.607","0.002","90","","92.01","0.01","90","","5875","0.8","294","1","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","ZnBAMP","Bis(2,6-diaminomethylpyridine)Zn(II)Dichloride . 1.67Hydrate","","- C14 H25.33 Cl2 N6 O1.67 Zn -","- C14 H25.3333 Cl2 N6 O1.66667 Zn -","- C168 H304 Cl24 N72 O20 Zn12 -","12","1.5","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.036","0.036","","0.091","0.091","","","","","1.73","1.73","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001154","13.01","0.001","9.162","0.001","15.669","0.002","90","","93.251","0.009","90","","1864.7","0.3","294","1","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","MnBAMP","Bis(2,6-diaminomethylpyridine)Mn(II)Dichloride Monohydrate","","- C14 H24 Cl2 Mn N6 O -","- C14 H24 Cl2 Mn N6 O -","- C56 H96 Cl8 Mn4 N24 O4 -","4","0.5","MU1032","Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.","Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^","Acta Crystallographica Section C","1993","49","12","2102","2107","10.1107/S010827019300424X","","","0.71073","MolybdenumKα","","0.034","0.034","","0.064","0.064","","","","","0.6","0.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001749","13.885","0.002","5.8864","0.0006","21.624","0.002","90","","93.25","0.008","90","","1764.5","0.4","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","","","","","- C6 H8 Cd Cl O3 P -","- C6 H8 Cd Cl O3 P -","- C48 H64 Cd8 Cl8 O24 P8 -","8","1","HH1056","Du, J.-L.; Rettig, S. J.; Thompson, R. C.; Trotter, J.","Structure of a polymeric cadmium complex containing triply bridging monophenylphosphinate ligands","Acta Crystallographica Section C","1993","49","5","1035","1036","10.1107/S0108270193001234","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001845","9.902","0.002","12.581","0.002","15.203","0.003","90","","101.46","0.02","90","","1856.2","0.6","","","","","","","","","","","","6","I 1 2/a 1","","","","","","- C15 H19 Mn N5 O2 S2 -","- C15 H19 Mn N5 O2 S2 -","- C60 H76 Mn4 N20 O8 S8 -","4","0.5","MU0301","Brooker, S.; McKee, V.","Seven-coordinate manganese(II) complexes of 2,6-bis[1-(2-hydroxyethylimino)ethyl]pyridine","Acta Crystallographica Section C","1993","49","3","441","445","10.1107/S0108270192007157","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002657","11.703","0.001","16.058","0.003","11.969","0.002","90","","90.03","0.02","90","","2249.3","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Diosmium(VI) diosmium(VII) undecastrontium oxide","","- O24 Os4 Sr11 -","- O24 Os4 Sr11 -","- O96 Os16 Sr44 -","4","0.5","","Tomaszewska, A; Mueller-Buschbaum, Hk","Ein neues gemischtvalentes Oxoosmat (VI, VII): Sr11 (Os6+)2 (Os7+)2 O24","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","1738","1742","10.1002/zaac.19936191019","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002672","5.554","0.002","4.916","0.001","21.50998","","90","","93.42","0.03","90","","586.3","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Copper antimony dimolybdate","","- Cu Mo2 O8 Sb -","- Cu Mo2 O8 Sb -","- Cu4 Mo8 O32 Sb4 -","4","0.5","","Szillat, H; Mueller-Buschbaum, Hk","Zur Darstellung und Kristallstruktur eines neuen Kupfer-Antimon- Oxomolybdats: Cu Sb Mo2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","717","720","","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002737","6.929","0.004","16.24599","0.003","7.26","0.008","90","","115.82","0.06","90","","735.7","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Distrontium oxovanadium divanadate","","- O9 Sr2 V3 -","- O9 Sr2 V3 -","- O36 Sr8 V12 -","4","0.5","","Feldmann, J; Mueller-Buschbaum, Hk","Kristallstrukturuntersuchung an einem Strontium-Vanadyl-Vanadat: Sr2 (V O) V2 O8","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","43","46","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002780","6.744","0.004","15.866","0.004","7.032","0.002","90","","115.412","0.014","90","","679.6","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Distrontium oxovanadium(IV) bis(phosphate(V))","","- O9 P2 Sr2 V -","- O9 P2 Sr2 V -","- O36 P8 Sr8 V4 -","4","0.5","","Wadewitz, C; Mueller-Buschbaum, Hk","Synthese und Struktur eines Strontium-Vanadyl-Phosphats: Sr (V O) (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","929","933","","","","","","","0.0578","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002793","6.8716","0.0013","16.30698","0.004","7.196","0.002","90","","115.67","0.02","90","","726.8","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Distrontium oxovanadium bis(arsenate(V))","","- As2 O9 Sr2 V -","- As2 O9 Sr2 V -","- As8 O36 Sr8 V4 -","4","0.5","","Wadewitz, C; Mueller-Buschbaum, Hk","Strukturelle Unterschiede zwischen Sr2 (V O) (As O4)2 und Ba2 (V O) (P O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","1290","1294","","","","","","","0.0885","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002947","14.1911","0.0009","8.252","0.0006","16.7382","0.0019","90","","90.696","0.009","90","","1960","0.3","200","","200","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","3,4,5-trimethylpyrazole","","- C6 H10 N2 -","- C6 H12 N2 -","- C72 H144 N24 -","12","1.5","BM0017","Infantes, L.; Foces-Foces, C.; Elguero,J.","3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis","Acta Crystallographica Section B","1999","55","3","441","447","10.1107/S0108768198014013","","","1.5418","CuKα","","0.059","0.048","","0.063","0.054","","","","0.913","0.887","0.887","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003486","13.899","0.002","12.156","0.002","15.781","0.003","90","","105.84","0.02","90","","2565.1","0.8","294","2","294","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Zn(ω-nap)~2~ dipyridine adduct","bis(ω-nitroacetophenonato)Zn(II) cis-dipyridine adduct","","- C26 H22 N4 O6 Zn -","- C26 H22 N4 O6 Zn -","- C104 H88 N16 O24 Zn4 -","4","0.5","MU1155","Falvello, L. R.; Hicke, S.; Mueller, T. E.","<i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)zinc(II)","Acta Crystallographica Section C","1995","51","5","859","861","10.1107/S010827019401293X","","","0.71073","MoKα","","0.0749","0.0386","","0.0818","0.0708","","","","1.065","1.101","1.101","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2003565","21.974","0.003","7.2","0.007","26.151","0.003","90","","110.18","0.01","90","","3883","4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Berberine bromide dihydrate","","","- C20 H22 Br N O6 -","- C20 H22 Br N O6 -","- C160 H176 Br8 N8 O48 -","8","1","HU1131","Kariuki, B. M.; Jones, W.","Five Salts of Berberine","Acta Crystallographica Section C","1995","51","6","1234","1240","10.1107/S010827019401259X","","","0.71069","MoKα","","0.1631","0.0471","","0.0971","0.0839","","","","0.831","1.189","1.189","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004458","13.847","0.002","12.2","0.001","15.981","0.002","90","","105.72","0.01","90","","2598.7","0.6","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Mn(ω-nap)~2~ dipyridine adduct","bis(ω-nitroacetophenonato)Mn(II) cis-dipyridine adduct","","- C26 H22 Mn N4 O6 -","- C26 H22 Mn N4 O6 -","- C104 H88 Mn4 N16 O24 -","4","0.5","AB1273","Hicke, S.; Mueller, T. E.; Falvello, L. R.","<i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)manganese(II)","Acta Crystallographica Section C","1996","52","2","307","309","10.1107/S0108270195008304","","","0.71073","MoKα","","0.1301","0.0582","","0.1185","0.104","","","","1.054","1.202","1.202","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005492","13.032","0.004","11.948","0.004","16.295","0.005","90","","103.83","0.02","90","","2463.7","1.4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","catena-poly[-μ-aqua-bis(trifluoromethanesulphonatosilver-μ- (1,4-dicyanobenzene-N:N'))]","","- C18 H10 Ag2 F6 N4 O7 S2 -","- C18 H10 Ag2 F6 N4 O7 S2 -","- C72 H40 Ag8 F24 N16 O28 S8 -","4","0.5","FG1114","Venkataraman, D.; Gardner, G. B.; Covey, A. C.; Lee, S.; Moore, J. S.","Silver(I) Complexes of 1,4-Dicyanobenzene","Acta Crystallographica Section C","1996","52","10","2416","2419","10.1107/S0108270196006099","","","0.71073","MoKα","","0.0476","0.0318","","0.0801","0.073","","","","1.065","1.103","1.103","","","","","has coordinates","249787","2020-10-21","18:00:00",""
"2006008","17.812","0.002","8.2826","0.0011","19.064","0.004","90","","99.878","0.014","90","","2770.8","0.8","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","NA1269","Boss, C.; Stoeckli-Evans, H.; Keese, R.","<i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol","Acta Crystallographica Section C","1997","53","3","322","325","10.1107/S0108270196013789","","","0.71073","MoKα","","0.1315","0.0739","","0.1908","0.1482","","","","1.109","1.182","1.182","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006009","17.779","0.002","8.238","0.001","18.881","0.003","90","","99.92","0.01","90","","2724","0.6","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","meso-1.11-dimethylcyclotrideca-2.9-diyne-1.11-diol","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","NA1269","Boss, C.; Stoeckli-Evans, H.; Keese, R.","<i>meso</i>-1,11-Dimethylcyclotrideca-2,9-diyne-1,11-diol","Acta Crystallographica Section C","1997","53","3","322","325","10.1107/S0108270196013789","","","0.71073","MoKα","","0.127","0.0723","","0.1997","0.1467","","","","1.159","1.128","1.128","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006064","17.582","0.012","9.451","0.008","24.558","0.017","90","","98.88","0.08","90","","4032","5","150","0.2","150","0.2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C8 H24 F12 N4 Ni P2 S2 -","- C8 H24 F12 N4 Ni P2 S2 -","- C64 H192 F96 N32 Ni8 P16 S16 -","8","1","JZ1164","Blake, A. J.; Danks, J. P.; Parsons, S.; Schröder, M.","Bis[bis(2-aminoethyl-<i>N</i>)sulfide-<i>S</i>]nickel(II) Bis(hexafluorophosphate)","Acta Crystallographica Section C","1997","53","4","411","413","10.1107/S0108270196013297","","","0.71073","MoKα","","0.0907","0.0647","","0.302","0.2062","","","","1.044","0.856","0.856","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006371","18.781","0.005","5.292","0.001","24.948","0.007","90","","90.47","0.02","90","","2479.5","1.1","295","","295","","","","","","","","","5","I 1 2/a 1","","","","2,2'-diaminodiphenyl disulfide hemihydrate","","- C12 H13 N2 O0.5 S2 -","- C12 H13.5 N2 O S2 -","- C96 H108 N16 O8 S16 -","8","1","CF1091","Kaitner, Branko; Pavlović, Gordana","2,2'-Diaminodiphenyl Disulfide Hemihydrate","Acta Crystallographica Section C","1997","53","8","1103","1105","10.1107/S0108270197004435","","","0.71069","MoKα","","0.031","0.031","","0.051","0.051","","","","","1.12","1.12","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006528","22.093","0.005","7.878","0.001","31.473","0.005","90","","100.28","0.03","90","","5389.9","1.7","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","1-(2-chloro-6-fluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","- C15 H10 Cl F N2 S -","- C15 H10 Cl F N2 S -","- C240 H160 Cl16 F16 N32 S16 -","16","2","NA1293","Bruno, Giuseppe; Chimirri, Alba; Monforte, Anna Maria; Nicoló, Francesco; Scopelliti, Rosario","1-Aryl-1<i>H</i>,3<i>H</i>-thiazolo[3,4-<i>a</i>]benzimidazole Derivatives","Acta Crystallographica Section C","1997","53","9","1337","1341","10.1107/S0108270197004976","","","0.71073","MoKα","","0.1274","0.0769","","0.2136","0.1892","","","","0.905","1.149","1.149","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006987","21.311","0.004","3.908","0.0008","27.581","0.006","90","","97.49","0.03","90","","2277.4","0.8","163","2","163","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H6 Cl2 S2 -","- C12 H6 Cl2 S2 -","- C96 H48 Cl16 S16 -","8","1","BK1346","Chang, Ning-Leh; Thomas, Stewart N.; Lynch, Vincent M.; Simonsen, Stanley H.","2,7-Dichlorothianthrene","Acta Crystallographica Section C","1998","54","2","266","267","10.1107/S0108270197012018","","","0.71073","MoKα","","0.043","0.032","","0.085","0.081","","","","1.05","1.112","1.112","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007086","14.651","0.002","9.3117","0.0007","16.7648","0.0011","90","","93.468","0.01","90","","2283","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C10 H20 Br4 I2 Pd S4 -","- C10 H20 Br4 I2 Pd S4 -","- C40 H80 Br16 I8 Pd4 S16 -","4","0.5","HA1202","Blake, Alexander J.; Gilby, Liam M.; Gould, Robert O.; Lippolis, Vito; Parsons, Simon; Schröder, Martin","Macrocyclic Thioether Complexes of Palladium with Dibromoiodide Anions","Acta Crystallographica Section C","1998","54","3","295","298","10.1107/S0108270197014212","","","0.71073","MoKα","","0.0523","0.0392","","0.1102","0.0903","","","","1.055","1.053","1.053","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007122","18.331","0.004","3.678","0.003","17.052","0.001","90","","98.43","0.02","90","","1137.2","1","292","","292","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-(nitramino)pyridine","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C40 H40 N24 O16 -","8","1","SK1128","Angelova, Olyana; Petrova, Rosica; Atanasov, Vladimir","2-(Nitroamino)pyridine","Acta Crystallographica Section C","1998","54","3","441","442","10.1107/S0108270197015503","","","0.71073","MoKα","","","0.043","","","","0.071","","","","","","1.232","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2007641","16.599","0.002","13.957","0.002","18.105","0.003","90","","95.929","0.012","90","","4172","1","294","1","294","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","2-methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3H)-one","","- C24 H22 N3 O2 P -","- C24 H22 N3 O2 P -","- C192 H176 N24 O16 P8 -","8","1","LN1053","Low, John N.; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Marchal, Antonio","2-Methoxy-3-methyl-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one and 3-Methyl-2-methylthio-6-[(triphenylphosphoranylidene)amino]pyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","1998","54","9","1355","1357","10.1107/S0108270198003795","","","0.7107","MolybdenumKα","","0.1092","0.0392","","0.1128","0.1007","","","","0.964","1.207","1.207","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008194","13.524","0.002","11.221","0.001","18.41","0.002","90","","96.06","0.01","90","","2778.2","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H15 Cu Na O12 -","- C9 H15 Cu Na O12 -","- C72 H120 Cu8 Na8 O96 -","8","1","SK1164","Chui, Stephen Sin Yin; Siu, Alvin; Williams, Ian D.","Sodium copper(II) trimesate, [NaCu{C~6~H~3~(COO)~3~}(H~2~O)~4~].2H~2~O, a double-sheet coordination polymer with bridging aqua ligands","Acta Crystallographica Section C","1999","55","2","194","196","10.1107/S0108270198010944","","","0.71073","MoKα","","0.0391","0.0317","","0.0848","0.0788","","","","1.064","1.084","1.084","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008402","8.916","0.003","6.0717","0.0015","12.62","0.003","90","","95.027","0.014","90","","680.6","0.3","103","2","103","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","dispiro[2.1.2.1]octane","","- C8 H12 -","- C8 H12 -","- C32 H48 -","4","0.5","QA0100","Boese, Roland; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","Dispiro[2.1.2.1]octane at 103K","Acta Crystallographica Section C","1999","55","4","IUC9900023","","10.1107/S0108270199099618","","","0.71073","MoKα","","0.069","0.054","","","","0.156","","","","","","1.047","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009006","12.1685","0.0019","13.724","0.002","13.315","0.003","90","","114.792","0.009","90","","2018.7","0.6","220","0.2","220","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","7-Phenyl-1,2,3,4,-tetrahydro-1,4-diazepin-5-one","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C88 H96 N16 O8 -","8","1","CF1321","Clark, Bernard A. J.; Evans, Matthew C.; Lloyd, Douglas; McNab, Hamish; Parsons, Simon","7-Phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4-diazepin-5-one","Acta Crystallographica Section C","1999","55","10","1725","1727","10.1107/S010827019900832X","","","0.71073","MoKα","","0.047","0.034","","","","0.089","","","","","","1.048","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009572","21.438","0.003","8.161","0.001","21.655","0.006","90","","109.98","0.02","90","","3560.6","1.3","295","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","- C128 H208 N16 O32 -","8","1","AB0303","Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.","Structures of the choline ion in different crystal surroundings","Acta Crystallographica Section C","1994","50","4","617","623","10.1107/S0108270193007589","","","0.71073","MoKα","","","0.041","","","0.061","","","","","1.331","1.331","","","","","has coordinates","198526","2020-10-21","18:00:00",""
"2009655","27.048","0.006","10.298","0.002","20.3","0.003","90","","102.62","0.02","90","","5517.8","1.9","293","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","","","","","- C18 H28 Cl4 Cu2 N6 O7 -","- C18 H28.5 Cl4 Cu2 N6 O7 -","- C144 H228 Cl32 Cu16 N48 O56 -","8","1","ST1070","Abboud, K.A.; Palenik, R.C.; Palenik, G.J.","Dichloro(2,6-diacetylpyridine dioxime-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II) 1.5-hydrate","Acta Crystallographica Section C","1994","50","4","525","528","10.1107/S0108270193009746","","","0.71073","MoKα","","","0.0526","","","0.0544","","","","","1.45","1.45","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009860","23.39","0.03","3.9832","0.0009","23.8","0.03","90","","90.46","0.01","90","","2217","4","293","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","","","bis(S,S'-ethanedithioamido)palladium","","- C5 H9 N4 O Pd S4 -","- C5 N4 O1.5 Pd S4 -","- C40 N32 O12 Pd8 S32 -","8","1","DU1061","Abboudi, M.; Mosset, A.","A palladium‒dithiooxamide complex","Acta Crystallographica Section C","1994","50","7","1057","1059","10.1107/S0108270193013216","","","0.71069","MoKα","","","0.0694","","","0.0684","","","","","2.78","2.78","","","","","has coordinates","191096","2020-10-21","18:00:00",""
"2010213","5.578","0.001","15.006","0.003","6.275","0.002","90","","117.83","0.02","90","","464.5","0.2","293","","293","","","","","","","","","7","I 1 2/a 1","","","","","","- Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947 -","- O6 P Y -","- O24 P4 Y4 -","4","0.5","","Kohlmann, Monika; Sowa, Heidrun; Reithmayer, Klaus; Schulz, Heinz; Krüger, Rolf-Rüdiger; Abriel, Walter","Structure of a Y~1-x~(Gd,Dy,Er)~x~PO~4~.2H~2~O Microcrystal Studied Using Synchrotron Radiation","Acta Crystallographica Section C","1994","50","","1651","1652","","","","","","","","0.077","","","0.052","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012118","9.7411","0.0009","7.5931","0.0007","17.444","0.002","90","","112.682","0.008","90","","1190.5","0.2","293","1","293","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","pyrrole-2-thiocarboxamide","1H-pyrrole-2-carbothioamide","","- C5 H6 N2 S -","- C5 H6 N2 S -","- C40 H48 N16 S8 -","8","1","BM1450","Smith, Matt C.; Davies, Sian C.; Hughes, David L.; Evans, David J.","1<i>H</i>-Pyrrole-2-carbothioamide","Acta Crystallographica Section C","2001","57","8","987","988","10.1107/S0108270101008423","","","0.71069","Mo-Kα","","0.047","0.035","","","0.092","0.102","","","","1.086","1.086","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012133","9.6165","0.0007","9.0032","0.0007","9.6231","0.0007","90","","90.951","0.002","90","","833.05","0.11","298","","298","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","beryllophosphate gismondine","","","- C H5 Be N O4 P -","- C H5 Be N O4 P -","- C8 H40 Be8 N8 O32 P8 -","8","1","GD1154","Harrison, William T. A.","[H~3~N(CH~2~)~2~NH~3~]~0.5~[BePO~4~], a beryllophosphate analogue of aluminosilicate zeolite gismondine","Acta Crystallographica Section C","2001","57","8","891","892","10.1107/S0108270101006928","","","0.71073","MoKα","","0.048","0.035","","","","0.093","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012195","10.2455","0.0009","12.664","0.001","27.446","0.003","90","","97.441","0.009","90","","3531.1","0.6","293","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C144 H160 N16 O48 -","8","1","DA1198","Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P.","Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity","Acta Crystallographica Section C","2001","57","9","1089","1091","10.1107/S0108270101009702","","","0.71073","MoKα","","0.1152","0.0442","","0.1393","","0.1129","","","1.008","","","1.008","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2012255","19.5883","0.0017","8.0623","0.0005","22.936","0.002","90","","90.559","0.011","90","","3622","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","6-Carboxy-5-carboxylatopyrazine-2,3-diyldi-2-pyridinium chloride 2.25 hydrate","","- C16 H15.5 Cl N4 O6.25 -","- C16 H15.5 Cl N4 O6.25 -","- C128 H124 Cl8 N32 O50 -","8","1","GD1159","Alfonso, Montserrat; Wang, Yi; Stoeckli-Evans, Helen","Hydrogen bonding in the inner-salt zwitterion and in two different charged forms of 5,6-bis(2-pyridyl)pyrazine-2,3-dicarboxylic acid","Acta Crystallographica Section C","2001","57","10","1184","1188","10.1107/S0108270101010757","","","0.71073","MoKα","","0.081","0.039","","","","0.093","","","","","","0.823","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012912","15.368","0.003","6.22","0.0012","23.142","0.005","90","","90.44","0.03","90","","2212.1","0.8","295","","295","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","0.5","AV1111","Kuźnik, Nikodem; Zawadiak, Jan; Gilner, Danuta; Wiȩckol, Angelika; Wagner, Paweł; Kubicki, Maciej","1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene","Acta Crystallographica Section C","2002","58","9","o549","o550","10.1107/S0108270102012945","","","0.71073","MoKα","","0.098","0.033","","","0.08","0.092","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013071","24.862","0.004","7.3778","0.0014","19.633","0.004","90","","101.823","0.006","90","","3524.8","1.1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","2,4-diamino-5-naphthalen-1-yl-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene Cl","2,4-Diamino-5-(1-naphthyl)-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene chloride","","- C18 H22 Cl N5 -","- C18 H22 Cl N5 -","- C144 H176 Cl8 N40 -","8","1","GG1139","Papandreou, Nikolaos C.; Makedonopoulou, Stella; Antoniadou-Vyza, Ekaterini A.; Mavridis, Irene M.; Hamodrakas, Stavros J.","2,4-Diamino-5-(1-naphthyl)-3,5-diaza-1-azoniaspiro[5.5]undeca-1,3-diene chloride","Acta Crystallographica Section C","2002","58","12","o730","o732","10.1107/S0108270102019108","","","1.5418","CuKα","","0.063","0.052","","","0.143","0.155","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013384","8.0944","0.0008","13.9838","0.0014","30.482","0.003","90","","92.292","0.002","90","","3447.5","0.6","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","3,6-Bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","3,6-Bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","","- C16 H19 N7 S2 -","- C16 H19 N7 S2 -","- C128 H152 N56 S16 -","8","1","TY1000","Blake, Alexander J.; Hubberstey, Peter; Mackrell, Alexander D.; Wilson, Claire","3,6-Dichloro-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine and 3,6-bis(pyrazol-1-yl)-4-[2-(4-thiamorpholino)ethanesulfanyl]pyridazine","Acta Crystallographica Section C","2003","59","6","o293","o297","10.1107/S0108270103007686","","","0.71073","MoKα","","0.083","0.04","","","0.0967","0.119","","","","","","0.99","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013487","9.415","0.008","10.739","0.002","15.332","0.003","90","","92.58","0.04","90","","1548.6","1.4","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(3aR,3bR,4aR,4bS,5aS,8aR,8bR,9aR,9bS,10aS)- perhydrodipentaleno[2,1-a:2',1'-e]pentalene-1,6-dione","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","0.5","NA1610","Lakshminarasimhan Damodharan; Vasantha Pattabhi; Rallapalli Sivakumar; Sambasivarao Kotha","Precursors to dodecahedrane","Acta Crystallographica Section C","2003","59","7","o373","o375","10.1107/S0108270103010825","","","1.5418","CuKα","","0.0524","0.0404","","","0.0979","0.1086","","","","","","1.055","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2013694","14.175","0.004","9.582","0.002","15.433","0.004","90","","95.7","0.02","90","","2085.8","0.9","298","","298","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bromo(3,5-dimethyl-2-nitrophenyl-κ^2^C^1^,O)tellurium(II)","","- C8 H8 Br N O2 Te -","- C8 H8 Br N O2 Te -","- C64 H64 Br8 N8 O16 Te8 -","8","1","SQ1028","Prabodhika Mallikaratchy; Richard E. Norman; Frank R. Fronczek; Thomas Junk","Tribromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(IV), bromo(3,5-dimethyl-2-nitrophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II) and bromo(3,5-dimethyl-2-nitrosophenyl-κ^2^<i>C</i>^1^,<i>O</i>)tellurium(II)","Acta Crystallographica Section C","2003","59","10","o571","o574","10.1107/S0108270103017955","","","0.71073","MoKα","","0.11","0.043","","","0.076","0.104","","","","","","1.103","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013926","12.7854","0.0008","4.6647","0.0003","13.3343","0.0009","90","","91.738","0.001","90","","794.89","0.09","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ethylenediammonium catena-arsenite","","- C2 H10 As2 N2 O4 -","- C2 H10 As2 N2 O4 -","- C8 H40 As8 N8 O16 -","4","0.5","BC1044","Lee, Clare; Harrison, William T. A.","The <i>catena</i>-arsenite chain anion, [AsO~2~]~<i>n~</i>^<i>n^{-</i>}: (H~3~NCH~2~CH~2~NH~3~)~0.5~[AsO~2~] and NaAsO~2~ (revisited)","Acta Crystallographica Section C","2004","60","5","m215","m218","10.1107/S0108270104007450","","","0.71073","MoKα","","0.046","0.0394","","","0.1101","0.1149","","","","","","1.054","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2014024","9.201","0.0012","29.032","0.005","9.2079","0.0017","90","","115.45","0.03","90","","2221","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Barium zirconium oxalate hydrate","Triaquatetraoxalatodibarium(II)zirconium(IV)","","- C8 H6 Ba2 O19 Zr -","- C8 H6 Ba2 O19 Zr -","- C32 H24 Ba8 O76 Zr4 -","4","0.5","IZ1040","Vertruyen, Bénédicte; Robertz, Bénédicte; Guillaume, Bernard; Rulmont, André; Spirlet, Marie-Rose","Dibarium zirconium tetraoxalate trihydrate","Acta Crystallographica Section C","2004","60","6","m233","m234","10.1107/S0108270104006791","","","0.71073","MoKα","","0.0669","0.0468","","","0.1151","0.1244","","","","","","1.049","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2014464","13.3571","0.0012","10.7473","0.001","15.7604","0.0015","90","","90.914","0.004","90","","2262.2","0.4","150","1","150","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1H-Imidazol-1-yl 1,2,3,4-tetrahydroisoquinolin-2-yl ketone","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C104 H104 N24 O8 -","8","1","FG1761","Grzyb, Justyna A.; Lough, Alan J.; Batey, Robert A.","1<i>H</i>-Imidazol-1-yl 1,2,3,4-tetrahydroisoquinolin-2-yl ketone","Acta Crystallographica Section C","2004","60","10","o730","o732","10.1107/S0108270104019195","","","0.71073","MoKα","","0.1003","0.0487","","","0.0999","0.1219","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014872","23.685","0.005","14.183","0.002","25.264","0.008","90","","108.941","0.016","90","","8027","3","298","2","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Bis(di-2-pyridyl sulfide-κ^2^N,N')(4-methylpyrimidin-2-yl 2-pyridylmethyl sulfide-κ^2^N,S)ruthenium(II) bis(hexafluorophosphate) acetonitrile solvate","","- C33 H30 F12 N8 P2 Ru S3 -","- C33 H30 F12 N8 P2 Ru S3 -","- C264 H240 F96 N64 P16 Ru8 S24 -","8","1","SK1808","Bruno, Giuseppe; Rotondo, Archimede; Tresoldi, Giuseppe; Nicoló, Francesco; Lanza, Santo","Bis(di-2-pyridyl sulfide-κ^2^<i>N</i>,<i>N</i>')(4-methylpyrimidin-2-yl 2-pyridylmethyl sulfide-κ^2^<i>N</i>,<i>S</i>)ruthenium(II) bis(hexafluorophosphate) acetonitrile solvate","Acta Crystallographica Section C","2005","61","4","m169","m172","10.1107/S0108270105004634","","","0.71073","MoKα","","","0.0503","","","","0.1139","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015666","6.9781","0.0006","12.7118","0.0013","14.1568","0.0014","90","","91.206","0.002","90","","1255.5","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","4,4'-bipyridinium poly[tetrachloromanganate(II)]","catena-Poly[4,4'-bipyridinium [[dichloromanganese(II)]-di-μ-chloro]]","","- C10 H10 Cl4 Mn N2 -","- C5 H5 Cl2 Mn0.5 N -","- C40 H40 Cl16 Mn4 N8 -","8","1","SQ3038","Li, Ming-Xue; Li, Su-Zhi","<i>catena</i>-Poly[4,4'-bipyridinium [[<i>cis</i>-dichloromanganese(II)]-di-μ-chloro]], a novel manganese(II) coordination polymer with 4,4'-bipyridinium","Acta Crystallographica Section C","2006","62","11","m525","m526","10.1107/S0108270106038108","","","0.71073","MoKα","","0.0154","0.0151","","","0.0439","0.0441","","","","","","1.037","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016260","9.4045","0.001","8.6089","0.0009","13.742","0.0012","90","","107.742","0.01","90","","1059.67","0.19","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","triaminopyrimidinediium dichloride dihydrate","","- C4 H13 Cl2 N5 O2 -","- C4 H13 Cl2 N5 O2 -","- C16 H52 Cl8 N20 O8 -","4","0.5","GZ3095","Gustavo Portalone; Marcello Colapietro","Hydrogen-bonded supramolecular motifs in the 1:1 monohydrated molecular adduct of acetoguanaminium chloride with acetoguanamine and in 2,4,6-triaminopyrimidinediium dichloride dihydrate","Acta Crystallographica Section C","2007","63","11","o655","o658","10.1107/S0108270107046689","","","0.710689","MoKα","","0.0238","0.0229","","","0.0697","0.0702","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016554","9.441","0.0011","16.347","0.004","18.799","0.005","90","","90.045","0.015","90","","2901.3","1.1","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","morpholin-4-ium 4-amino-2-(morpholin-4-yl)-5-nitroso-6-oxo-1,6-dihydropyrimidin-1-ide","","- C12 H20 N6 O4 -","- C12 H20 N6 O4 -","- C96 H160 N48 O32 -","8","1","GG3151","Orozco, Fabían; Insuasty, Braulio; Low, John N.; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in neutral, anionic and hydrated 6-amino-2-(morpholin-4-yl)-5-nitrosopyrimidines","Acta Crystallographica Section C","2008","64","4","o220","o225","10.1107/S0108270108005076","","","0.71073","MoKα","","0.082","0.0486","","","0.0948","0.1087","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016587","21.834","0.006","12.948","0.004","23.502","0.01","90","","97.039","0.004","90","","6594","4","297","1","297","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","κ^2^N^3^:N^3'^]dicopper(I)]-μ-(<i>E</i>)-1,2-bis(1-ethyl-1H-benzimidazol-2-yl)ethene-κ^2^N^3^:N^3'^] bis(perchlorate) acetonitrile disolvate]","","- C32 H33 Cl Cu N7 O4 -","- C32 H33 Cl Cu N7 O4.006 -","- C256 H264 Cl8 Cu8 N56 O32.048 -","8","1","GZ3116","Stibrany, Robert T.; Potenza, Joseph A.","An alternating copolymer containing trigonal planar homocoordinated copper(I) ions: <i>catena</i>-poly[[[bis[μ-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]dicopper(I)]-μ-(<i>E</i>)-1,2-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)ethene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(perchlorate) acetonitrile disolvate]","Acta Crystallographica Section C","2008","64","5","m213","m216","10.1107/S0108270108002618","","","0.71073","MoKα","","0.0426","0.0329","","","0.0906","0.0964","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016604","15.61","0.0012","13.2847","0.001","17.2233","0.0013","90","","91.358","0.006","90","","3570.7","0.5","295","1","295","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(2-chlorobenzyl)-4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridinium chloride hemihydrate","","- C20 H18 Cl2 N O1.5 -","- C20 H18 Cl2 N O1.5 -","- C160 H144 Cl16 N8 O12 -","8","1","LN3095","Prukała, Wiesław; Prukała, Dorota; Kubicki, Maciej","Isomorphism in 1-(2-halidobenzyl)-4-[(<i>E</i>)-2-(3-hydroxyphenyl)ethenyl]pyridinium halide hemihydrates (halide = Cl, Br)","Acta Crystallographica Section C","2008","64","5","o269","o271","10.1107/S0108270108009037","","","0.71073","MoKα","","0.0616","0.0362","","","0.0929","0.1039","","","","","","1.21","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016605","15.6975","0.0008","13.5505","0.0007","17.2562","0.001","90","","92.879","0.004","90","","3665.9","0.3","294","1","294","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(2-bromobenzyl)-4-[(E)-2-(3-hydroxyphenyl)ethenyl]pyridinium bromide hemihydrate","","- C20 H18 Br2 N O1.5 -","- C20 H18 Br2 N O1.5 -","- C160 H144 Br16 N8 O12 -","8","1","LN3095","Prukała, Wiesław; Prukała, Dorota; Kubicki, Maciej","Isomorphism in 1-(2-halidobenzyl)-4-[(<i>E</i>)-2-(3-hydroxyphenyl)ethenyl]pyridinium halide hemihydrates (halide = Cl, Br)","Acta Crystallographica Section C","2008","64","5","o269","o271","10.1107/S0108270108009037","","","0.71073","MoKα","","0.0575","0.028","","","0.065","0.0744","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016719","15.224","0.003","3.9694","0.0008","15.444","0.004","90","","94.73","0.03","90","","930.1","0.4","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-poly[[[<i>trans</i>-diaquacopper(II)]-di-μ-chlorido] piperazine-2,5-dione solvate]","","- C4 H10 Cl2 Cu N2 O4 -","- C4 H10 Cl2 Cu N2 O4 -","- C16 H40 Cl8 Cu4 N8 O16 -","4","0.5","GG3165","Sarangarajan, Thanjavur R.; Krishnamoorthy, Belli S.; Panchanatheswaran, Krishnaswamy; Low, John N.; Glidewell, Christopher","Three-dimensional frameworks built from piperazine-2,5-dione and simple metal salts (<i>M</i> = Co, Ni, Cu and Ag)","Acta Crystallographica Section C","2008","64","8","m286","m291","10.1107/S010827010801648X","","","0.71073","MoKα","","0.0873","0.0583","","","0.1515","0.164","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016834","24.323","0.002","5.4408","0.0004","27.066","0.002","90","","111.328","0.009","90","","3336.5","0.5","233","2","233","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","europium ethanesulfonate trihydrate","catena-poly[[triaquabis(ethanesulfonato-κO)europium(III)]-μ-ethanesulfonato- κ^2^O:O']","","- C6 H21 Eu O12 S3 -","- C6 H21 Eu O12 S3 -","- C48 H168 Eu8 O96 S24 -","8","1","GG3175","Wallus, Sarah; Frank, Walter","The first structural characterization of a rare earth ethanesulfonate","Acta Crystallographica Section C","2008","64","11","m384","m386","10.1107/S0108270108033180","","","0.71073","MoKα","","0.0253","0.0214","","","0.0495","0.0498","","","","","","1.219","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018212","20.326","0.006","14.184","0.004","36.696","0.013","90","","94.89","0.03","90","","10541","6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(μ-4-chlorobenzoato- κ^2^<i>O</i>:<i>O</i>')(4-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')(4- chlorobenzoato-κ<i>O</i>)tetrakis(μ^3^-2-pyridylmethanolato- κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>)tetracopper(II)","","- C52 H40 Cl4 Cu4 N4 O12 -","- C52 H40 Cl4 Cu4 N4 O12 -","- C416 H320 Cl32 Cu32 N32 O96 -","8","1","BG3141","Moncol, Jan; Jomova, Klaudia; Zelenicky, Lubomir; Lis, Tadeusz; Valko, Marian","A tetranuclear copper(II) cluster: bis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')(4-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')(4-chlorobenzoato-κ<i>O</i>)tetrakis(μ~3~-2-pyridylmethanolato-κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>)tetracopper(II)","Acta Crystallographica Section C","2011","67","9","m318","m320","10.1107/S010827011103335X","","","0.71073","MoKα","","0.0598","0.0343","","","0.0655","0.0689","","","","","","1.024","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018252","18.999","0.001","6.7318","0.0004","21.1835","0.0011","90","","101.887","0.004","90","","2651.2","0.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb1.0005 Te4 -","- N8 O88 Rb8.004 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.71069","MoKα","","0.0794","0.0367","","","0.038","0.0429","","","","","","1.5","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018253","18.77","0.004","6.645","0.004","20.8","0.007","90","","101.61","0.18","90","","2541","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","Synchrotron","","0.1251","0.1251","","","0.1149","0.1149","","","","","","3.38","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018254","18.604","0.004","6.583","0.002","20.295","0.011","90","","101.5","0.2","90","","2436","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.108","0.108","","","0.0923","0.0923","","","","","","2.97","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018255","18.501","0.003","6.542","0.001","20.045","0.007","90","","101.41","0.1","90","","2378.2","1.3","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H8 N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.0981","0.0981","","","0.0854","0.0854","","","","","","2.7","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018256","18.344","0.004","6.473","0.003","19.62","0.01","90","","101.4","0.2","90","","2284","2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ammonium rubidium nonaoxotetratellurate(IV) dihydrate","","- H N O11 Rb Te4 -","- N O11 Rb Te4 -","- N8 O88 Rb8 Te32 -","8","1","LG3063","Friese, K.; Halasyamani, P. S.; Tolkiehn, M.; Grzechnik, A.","A high-pressure single-crystal synchrotron diffraction study of NH~4~RbTe~4~O~9~·2H~2~O: stability of three different TeO~<i>x~</i> coordination polyhedra","Acta Crystallographica Section C","2011","67","10","i45","i49","10.1107/S0108270111025728","","","0.3978","synchrotron","","0.1192","0.1189","","","0.0962","0.0962","","","","","","3.13","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018603","17.241","0.003","6.1519","0.0012","20.71","0.004","90","","107.96","0.03","90","","2089.6","0.8","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","chelidamic acid dimethyl ester monohydrate","dimethyl 4-hydroxypyridine-2,6-dicarboxylate monohydrate","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C72 H88 N8 O48 -","8","1","EG3095","Tutughamiarso, Maya; Pisternick, Thorsten; Egert, Ernst","Pseudopolymorphs of chelidamic acid and its dimethyl ester","Acta Crystallographica Section C","2012","68","9","o344","o350","10.1107/S0108270112031691","","","0.71073","MoKα","","0.0582","0.0393","","","0.093","0.1002","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019171","17.3791","0.0016","14.7131","0.0013","20.019","0.003","90","","90.464","0.001","90","","5118.7","1","183","2","183","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Diethyl ((4-chloro-2-methylanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate","","- C23 H31 Cl N O3 P Si -","- C23 H31 Cl N O3 P Si -","- C184 H248 Cl8 N8 O24 P8 Si8 -","8","1","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.1453","0.1011","","","0.1648","0.1807","","","","","","1.202","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019268","13.1489","0.0005","6.578","0.0002","17.0721","0.0009","90","","90.42","0.001","90","","1476.59","0.11","220","2","220","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Gaboxadol hydrochloride","3-Hydroxy-4,5,6,7-tetrahydro-1,2-oxazolo[5,4-<i>c</i>]pyridin-6-ium chloride","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C48 H72 Cl8 N16 O16 -","8","1","FM3008","Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.","Enantiotropically related polymorphs of gaboxadol hydrochloride","Acta Crystallographica Section C","2013","69","11","1234","1237","10.1107/S0108270113025961","","","0.71073","MoKα","","0.0349","0.0264","","","0.0719","0.0751","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019436","11.182","0.002","8.436","0.002","8.609","0.002","90","","91.36","0.02","90","","811.9","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","6,7-Dinitro-1,3,5,2,4-trithiadiazepine","","- C2 N4 O4 S3 -","- C2 N4 O4 S3 -","- C8 N16 O16 S12 -","4","0.5","QS3029","Jones, Ray","Three trithiadiazepines and a trithiatriazepine","Acta Crystallographica Section C","2014","70","1","60","66","10.1107/S2053229613033287","","","1.54178","CuKα","","0.0265","0.025","","","0.0651","0.0658","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019604","7.519","0.0002","13.2464","0.0003","11.5073","0.0004","90","","104.388","0.001","90","","1110.18","0.05","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[pentaaquauranium(IV)]-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] monohydrate]","","- H12 O14 S2 U -","- H12 O14 S2 U -","- H48 O56 S8 U4 -","4","0.5","FA3344","Burns, Alexander D.; Patrick, Brian O.; Lam, Anita E.; Dreisinger, David","The effect of coordinated water on the connectivity of uranium(IV) sulfate <i>x</i>-hydrate: [U(SO~4~)~2~(H~2~O)~5~]·H~2~O and [U(SO~4~)~2~(H~2~O)~6~]·2H~2~O, and a comparison with other known structures","Acta Crystallographica Section C","2014","70","7","726","731","10.1107/S2053229614013801","","","0.71073","MoKα","","0.0108","0.0108","","","0.0284","0.0284","","","","","","1.313","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2020102","10.9815","0.0009","10.8697","0.001","11.1525","0.0009","90","","111.135","0.009","90","","1241.7","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","DABCO BrCF2CF2Br adduct","1,2-Dibromo-1,1,2,2-tetrafluoroethane‒1,4-diazabicyclo[2.2.2]octane (1/1)","","- C8 H12 Br2 F4 N2 -","- C8 H12 Br2 F4 N2 -","- C32 H48 Br8 F16 N8 -","4","0.5","YF3093","Brisdon, Alan K.; Muneer, Abeer M. T.; Pritchard, Robin G.","Halogen-bonded adduct of 1,2-dibromo-1,1,2,2-tetrafluoroethane and 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2015","71","10","","","10.1107/S2053229615016472","","","0.71073","MoKα","","0.0519","0.0367","","","0.0622","0.0688","","","","","","1.029","","","","has coordinates,has Fobs","158188","2020-10-21","18:00:00",""
"2020392","17.8382","0.0011","10.322","0.0007","14.5599","0.0011","90","","101.06","0.006","90","","2631.1","0.3","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Morpholinium 3,5-dinitrosalicylate","Tetrahydro-2<i>H</i>-1,4-oxazin-4-ium 2-carboxy-4,6-dinitrophenolate","","- C11 H13 N3 O8 -","- C11 H13 N3 O8 -","- C88 H104 N24 O64 -","8","1","KY3097","Smith, Graham; Lynch, Daniel E.","Cyclic heterotetrameric and low-dimensional hydrogen-bonded polymeric structures in the morpholinium salts of ring-substituted benzoic acid analogues","Acta Crystallographica Section C","2016","72","2","105","111","10.1107/S2053229615024821","","","0.71073","MoKα","","0.0523","0.0386","","","0.0893","0.0978","","","","","","1.032","","","","has coordinates,has Fobs","177470","2020-10-21","18:00:00",""
"2020660","14.8441","0.0012","13.2872","0.0011","21.0311","0.0015","90","","105.191","0.003","90","","4003.2","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Bis(<i>tert</i>-butylammonium) 2,6-dichlorophenolate 2,4-dichlorophenolate 2,4-dichlorophenol tetrahydrofuran disolvate","","- C34 H50 Cl6 N2 O5 -","- C34 H50 Cl6 N2 O5 -","- C136 H200 Cl24 N8 O20 -","4","0.5","KY3103","Cai, Xiao-Qing; Tian, Bei; Zhang, Jian-Nan; Jin, Zhi-Min","The hydrogen-bonded complex bis(<i>tert</i>-butylammonium) 2,6-dichlorophenolate 2,4-dichlorophenol‒2,4-dichlorophenolate tetrahydrofuran disolvate containing a chiral <i>R</i>~5~^3^(10) hydrogen-bonded ring as a supramolecular synthon","Acta Crystallographica Section C","2016","72","10","720","723","10.1107/S2053229616013577","","","0.71073","MoKα","","0.0735","0.0601","","","0.1577","0.1611","","","","","","0.934","","","","has coordinates,has disorder,has Fobs","187986","2020-10-21","18:00:00",""
"2020856","20.8783","0.0007","7.4013","0.0002","23.2605","0.0008","90","","108.146","0.004","90","","3415.6","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","4-Amino-5-chloro-2,6-dimethylpyrimidine ferrocenecarboxylic acid","4-Amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","","- C17 H18 Cl Fe N3 O2 -","- C17 H18 Cl Fe N3 O2 -","- C136 H144 Cl8 Fe8 N24 O16 -","8","1","","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in the salt trimethoprimium ferrocene-1-carboxylate and the cocrystal 4-amino-5-chloro-2,6-dimethylpyrimidine‒ferrocene-1-carboxylic acid (1/1)","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011913","","","0.71073","MoKα","","0.0437","0.032","","","0.0772","0.084","","","","","","1.069","","","","has coordinates,has Fobs","199852","2020-10-21","18:00:00",""
"2021391","30.5449","0.0013","14.2507","0.0005","48.6187","0.0017","90","","107.836","0.004","90","","20145.9","1.4","293","2","293","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H90.67 As2 Cu8 Eu2 K2 N16 O117.5 W22 -","- C116 H90.6672 As2 Cu8 Eu2 K2 N16 O117.5 W22 -","- C464 H362.669 As8 Cu32 Eu8 K8 N64 O470 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","x-ray","0.71073","MoKα","","0.1011","0.0635","","","0.1444","0.1739","","","","","","1.057","","","","has coordinates","212254","2020-10-21","18:00:00",""
"2021392","30.5038","0.0007","14.1439","0.0004","48.2029","0.0012","90","","108.131","0.003","90","","19764.2","0.9","190","20","190","20","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22 -","- C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22 -","- C464 H368 As8 Cu32 Gd8 K8 N64 O504 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0623","0.0449","","","0.092","0.1003","","","","","","1.081","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021393","30.4415","0.0007","14.0792","0.0003","48.0609","0.0014","90","","108.235","0.003","90","","19564.1","0.9","133","11","133","11","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 -","- C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 -","- C464 H368 As8 Cu32 K8 N64 O504 Tb8 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.067","0.0463","","","0.0897","0.0977","","","","","","1.058","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021394","30.481","0.0006","14.104","0.0003","48.1783","0.0008","90","","108.247","0.002","90","","19670.6","0.7","134","12","134","12","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H88 As2 Cu8 Dy2 K2 N16 O128 W22 -","- C116 H88 As2 Cu8 Dy2 K2 N16 O128 W22 -","- C464 H352 As8 Cu32 Dy8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0612","0.0461","","","0.0906","0.0963","","","","","","1.072","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021395","30.4802","0.0007","14.113","0.0003","48.116","0.0013","90","","108.169","0.003","90","","19665.9","0.9","172","60","172","60","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H94 As2 Cu8 Ho2 K2 N16 O128 W22 -","- C116 H94 As2 Cu8 Ho2 K2 N16 O128 W22 -","- C464 H376 As8 Cu32 Ho8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0768","0.0474","","","0.0948","0.1057","","","","","","1.022","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021396","30.581","0.002","14.1638","0.0006","48.299","0.003","90","","108.273","0.007","90","","19865","2","140","20","140","20","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H87 As2 Cu8 Er2 K2 N16 O128 W22 -","- C116 H87 As2 Cu8 Er2 K2 N16 O128 W22 -","- C464 H348 As8 Cu32 Er8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.1765","0.0872","","","0.1424","0.1832","","","","","","1.058","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021516","12.189","0.001","18.7185","0.0011","12.4701","0.0009","90","","106.612","0.008","90","","2726.4","0.4","270","2","270","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","2-Acetylpyridine-2-nitroimidazole hydrazone","2-(2-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[1-(pyridin-2-\ yl)ethylidene]acetohydrazide","","- C12 H12 N6 O3 -","- C12 H12 N6 O3 -","- C96 H96 N48 O24 -","8","1","KY3160","Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa","Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001529","","x-ray","0.71073","MoKα","","0.0709","0.0442","","","0.104","0.1192","","","","","","1.052","","","","has coordinates,has Fobs","213660","2020-10-21","18:00:00",""
"2021716","15.146","0.003","12.2411","0.0011","17.6555","0.0016","90","","99.104","0.002","90","","3232.2","0.8","293.15","","293.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[[aquacadmium(II)]-bis(μ-4b,5,7,7a-tetrahydro-4b,7a-epiminomethanoimino-6<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-6,13-dione)] bis(perchlorate) dihydrate]","","- C28 H26 Cd Cl2 N12 O15 -","- C28 H26 Cd Cl2 N12 O15 -","- C112 H104 Cd4 Cl8 N48 O60 -","4","0.5","LG3244","Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra","Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008325","","","0.71073","MoKα","","0.0288","0.0256","","","0.0616","0.0638","","","","","","1.109","","","","has coordinates,has Fobs","216918","2020-10-21","18:00:00",""
"2021717","15.2909","0.0003","14.2702","0.0003","15.4064","0.0004","90","","92.174","0.002","90","","3359.32","0.13","293.15","","293.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-Poly[[lead(II)-bis(μ-4b,5,7,7a-tetrahydro-4b,7a-epiminomethanoimino-6<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-6,13-dione)] bis(perchlorate) dihydrate]","","- C28 H24 Cl2 N12 O14 Pb -","- C28 H24 Cl2 N12 O14 Pb -","- C112 H96 Cl8 N48 O56 Pb4 -","4","0.5","LG3244","Tayade, Sakharam B.; Markad, Datta; Kumbhar, Avinash S.; Erxleben, Andrea; Chakravarty, Debamitra","Coordination polymers of Cd^II^ and Pb^II^ derived from bipyridine‒glycoluril: influence of metal-ion size and counter-ions","Acta Crystallographica Section C","2019","75","8","","","10.1107/S2053229619008325","","","0.71073","MoKα","","0.03","0.0259","","","0.0683","0.0705","","","","","","1.056","","","","has coordinates,has Fobs","216918","2020-10-21","18:00:00",""
"2021841","11.4608","0.0015","5.3791","0.0009","26.74","0.004","90","","91.457","0.012","90","","1648","0.4","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","4-(Pyridin-2-yl)pyrimidin-2-amine","","- C9 H8 N4 -","- C9 H8 N4 -","- C72 H64 N32 -","8","1","KY3191","Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Garcia, Esteban; Tenorio, Juan-C.; Ellena, Javier","Synthesis, spectroscopic (FT‒IR and UV‒Vis), crystallographic and theoretical studies, and amolecular docking simulation of an imatinib-like template","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015523","","","0.71073","MoKα","","0.0711","0.0462","","","0.114","0.1341","","","","","","1.032","","","","has coordinates,has Fobs","243778","2020-10-21","18:00:00",""
"2022236","26.4214","0.0008","4.76309","0.00013","46.6213","0.0014","90","","106.034","0.003","90","","5638.9","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(4-Bromophenyl)(3-hydroxy-5-iodobenzofuran-2-yl)methanone","","- C15 H8 Br I O3 -","- C15 H8 Br I O3 -","- C240 H128 Br16 I16 O48 -","16","2","SK3753","Cong, Nguyen Tien; Trang, Huynh Thi Xuan; Dung, Pham Duc; Phuong, Tran Hoang; Trung, Vu Quoc; Dat, Nguyen Dang; Anh, Dang Thi Tuyet; Tuyen, Nguyen Van; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 2-aroylbenzofuran-3-ols","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011018","","x-ray","0.71073","MoKα","","0.0653","0.0481","","","0.1132","0.1231","","","","","","1.067","","","","has coordinates,has Fobs","255315","2020-10-21","18:00:00",""
"2022282","23.308","0.01","7.132","0.003","27.253","0.009","90","","112.62","0.03","90","","4182","3","193.4","","193.4","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(2<i>R</i>,3<i>S</i>)-1,2,3,4-Tetrahydronaphthalene-2,3-diyl bis(2,4,6-trifluorobenzoate)","","- C24 H14 F6 O4 -","- C24 H14 F6 O4 -","- C192 H112 F48 O32 -","8","1","OP3007","Rutherford, Ryan Noboru; Ura, Shinji; Chan, Tak-Hang; Fukumoto, Kozo; Nishioka, Takanori; Renzetti, Andrea","Dibenzoate esters of <i>cis</i>-tetralin-2,3-diol as analogs of (‒)-epigallocatechin gallate: synthesis and crystal structure of anticancer drug candidates","Acta Crystallographica Section C","2020","76","12","","","10.1107/S2053229620014916","","","0.71075","MoKα","","0.062","0.0464","","","0.1131","0.1234","","","","","","1.134","","","","has coordinates,has Fobs","259242","2020-11-25","05:11:58",""
"2022571","15.5664","0.0006","15.3769","0.0007","18.4445","0.0008","90","","109.359","0.004","90","","4165.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Etravirinium oxalate","6-Amino-5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-[(4-cyanophenyl)amino]pyrimidin-1-ium hemioxalate","","- C21 H16 Br N6 O3 -","- C21 H16 Br N6 O3 -","- C168 H128 Br8 N48 O24 -","8","1","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","x-ray","0.71073","MoKα","","0.0721","0.0426","","","0.1177","0.139","","","","","","0.876","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:13",""
"2022772","16.82625","0.00015","16.73298","0.00017","26.7833","0.0003","90","","105.216","0.0011","90","","7276.56","0.13","295","1","295","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-[3-(1<i>H</i>-Benzimidazol-2-yl)propyl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-trihydroxybenzoate–1,3-bis(1<i>H</i>-benzimidazol-2-yl)propane–ethyl acetate (2/1/2.94)","","- C65 H60 N12 O10 -","- C65 H60 N12 O10 -","- C260 H240 N48 O40 -","4","0.5","WM5683","Palacios Rodríguez, José Carlos; Mendoza, Angel; Sosa Rivadeneyra, Martha; Bernès, Sylvain","2-[3-(1<i>H</i>-Benzimidazol-2-yl)prop-yl]-1<i>H</i>-benzimidazol-3-ium 3,4,5-tri-hydroxy-benzoate-1,3-bis-(1<i>H</i>-benzimidazol-2-yl)propane-ethyl acetate (2/1/2.94): co-crystallization between a salt, a neutral mol-ecule and a solvent.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 6","562","566","10.1107/S2056989023004279","","x-ray","0.71073","MoKα","","0.0661","0.0494","","","0.1373","0.1493","","","","","","1.062","","","","has coordinates,has Fobs","285053","2023-07-06","18:18:44",""
"2022833","12.6692","0.0004","7.0967","0.0003","22.3413","0.0009","90","","103.022","0.004","90","","1957.04","0.13","100","0.1","100.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(Carboxymethyl)triethylazanium bromide–2-(triethylazaniumyl)acetate (1/1)","","- C16 H35 Br N2 O4 -","- C16 H35 Br N2 O4 -","- C64 H140 Br4 N8 O16 -","4","0.5","WM5689","Carlson, Faith M.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of a (carboxymethyl)triethylazanium bromide–2-(triethylazaniumyl)acetate (1/1) hydrogen-bonded dimer","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","","","10.1107/S2056989023006850","","","1.54184","CuKα","","0.0447","0.0396","","","0.1042","0.1086","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","285640","2023-08-12","01:54:29",""
"2022939","13.742","0.0013","8.8912","0.0013","23.114","0.002","90","","94.742","0.004","90","","2814.5","0.5","294","2","294","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(2<i>Z</i>)-3-Oxo-<i>N</i>-phenyl-2-[(1<i>H</i>-pyrrol-2-yl)methylidene]butanamide monohydrate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","VM2291","Safarova, Ayten S.; Khalilov, Ali N.; Akkurt, Mehmet; Brito, Ivan; Bhattarai, Ajaya; Naghiyev, Farid N.; Mamedov, Ibrahim G.","Crystal structure and Hirshfeld surface analysis of (2Z)-3-oxo-N-phenyl-2-[(1H-pyrrol-2-yl)methylidene]butanamide monohydrate","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1142","1146","10.1107/S2056989023009799","","","0.71073","MoKα","","0.0836","0.0411","","","0.0876","0.1085","","","","","","1.046","","","","has coordinates,has Fobs","288941","2024-01-07","11:50:19",""
"2022951","21.9709","0.0015","5.1271","0.0004","27.022","0.002","90","","93.633","0.004","90","","3037.8","0.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","2-(Cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)benzo[<i>d</i>]isothiazol-3(2<i>H</i>)-one","","- C15 H15 F3 N2 O3 S -","- C15 H15 F3 N2 O3 S -","- C120 H120 F24 N16 O24 S8 -","8","1","VM2292","Richter, Adrian; Goddard, Richard; Imming, Peter; Seidel, Rüdiger W.","Crystal structure and antimycobacterial evaluation of 2-(cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)benzo[d]isothiazol-3(2H)-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","12","1194","1198","10.1107/S2056989023010137","","","0.71073","MoKα","","0.0587","0.0422","","","0.1036","0.1162","","","","","","1.041","","","","has coordinates,has Fobs","287918","2023-12-01","03:09:02",""
"2023018","27.4898","0.0004","5.9436","0.0001","32.0473","0.0005","90","","93.854","0.001","90","","5224.32","0.14","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Poly[[triaquabis(μ~4~-phthalato)(μ~3~-pyridine-2,5-dicarboxylato)dipraseodymium] monohydrate]","","- C23 H19 N O16 Pr2 -","- C23 H19 N O16 Pr2 -","- C184 H152 N8 O128 Pr16 -","8","1","JW2002","Yotnoi, Bunlawee; Rujiwatra, Apinpus","Crystal structure and characterization of a new lanthanide coordination polymer, [Pr<sub>2</sub>(pydc)(phth)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]·H<sub>2</sub>O.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","228","231","10.1107/S2056989024000872","","x-ray","0.71073","MoKα","","0.0361","0.0314","","","0.0778","0.0807","","","","","","1.046","","","","has coordinates,has Fobs","290327","2024-03-05","20:42:27",""
"2100457","8.9007","0.001","5.8099","0.0007","10.2451","0.0013","90","","101.69","0.009","90","","518.81","0.11","180","","180","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Dimethyl sulfate","","- C2 H6 O4 S -","- C2 H6 O4 S -","- C8 H24 O16 S4 -","4","0.5","WS5036","","","Acta Crystallographica, Section B","2006","62","2","280","286","10.1107/S0108768106001893","","","0.71073","MoKα","","0.0685","0.0435","","0.1194","0.1115","0.1194","","","","","","0.9572","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100510","21.7505","0.001","4.90797","0.00011","9.6949","0.0003","90","","100.379","0.003","90","","1018.01","0.06","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C2 Ba F6 O6 S2 -","- C2 Ba F6 O6 S2 -","- C8 Ba4 F24 O24 S8 -","4","0.5","SN5032","Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin","Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data","Acta Crystallographica, Section B: Structural Science","2006","62","3","467","473","10.1107/s0108768106009517","","","","","","","","","","","","","","","","","","","","","has coordinates","210924","2020-10-21","18:00:00",""
"2100599","12.824","0.002","16.332","0.003","23.713","0.004","90","","97.514","0.003","90","","4923.8","1.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 D17 K3 N12 O16 -","- C12 D17 K3 N12 O16 -","- C96 D136 K24 N96 O128 -","8","1","BS5033","G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke","Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system","Acta Crystallographica Section B","2006","62","5","798","807","10.1107/S0108768106025171","","neutron","","neutron","","0.0678","0.0678","","","0.182","0.182","","","","","","1.033","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101051","20.2","0.02","4.91","0.002","12.054","0.009","90","","90.02","0.04","90","","1195.5","1.6","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","","","","","- C12 H8 Cl2 O2 S -","- C12 H8 Cl2 O2 S -","- C48 H32 Cl8 O8 S4 -","4","0.5","AL0558","Zúñiga, F. J.; Pérez-Mato, J. M.; Breczewski, T.","Structure of the incommensurate phase of 4,4'-dichlorobiphenyl sulfone at 90 K","Acta Crystallographica Section B","1993","49","6","1060","1068","10.1107/S0108768193008195","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101114","16.359","0.003","10.469","0.006","18.339","0.004","90","","90.9","0.02","90","","3140","2","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","","","","","- C14 H19 Br N4 O2 -","- C14 H20 Br N4 O2 -","- C112 H160 Br8 N32 O16 -","8","1","HA0121","Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.","Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists","Acta Crystallographica Section B","1994","50","2","221","243","10.1107/S0108768193010407","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102509","6.963","0.001","12.4686","0.0016","14.854","0.0015","90","","101.01","0.01","90","","1265.9","0.3","0","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","cis-Diaqua-(2,2-bipyridyl-N,N')-copper sulfate","","- C10 H12 Cu N2 O6 S -","- C10 Cu N2 O6 S -","- C40 Cu4 N8 O24 S4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102512","27.869","0.001","5.771","0.003","11.758","0.005","90","","91.43","0.01","90","","1890.5","1.3","0","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(R*,R*)-4,4'-Bi(1-t-butylcyclohexen-3-one)","","- C20 H30 O2 -","- C20 O2 -","- C80 O8 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102513","18.63","0.0018","16.61","0.002","16.972","0.003","90","","108.02","0.009","90","","4994.3","1.2","0","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","N-(3-Aminpropyl)-N'-3-(anthracen-9-ylmethyl)aminpropylethane-1,2-diamin)- chloro-copper chloride monhydrate","","- C23 H34 Cl2 Cu N4 O -","- C23 H34 Cl2 Cu N4 O -","- C184 H272 Cl16 Cu8 N32 O8 -","8","1","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoK\α","","","","","","","","","","","","","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2102520","17.257","0.004","5.533","0.001","18.053","0.004","90","","98.14","0.02","90","","1706.4","0.6","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","trans-(1,4,8,11-Tetra-azacyclotetradecane)-dioxo-rhenium hexafluorophosphate","","- C10 H24 F6 N4 O2 P Re -","- C10 F6.04 N4 O2 P Re -","- C40 F24.16 N16 O8 P4 Re4 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.7107","MoKα","","0.086","0.0771","","","0.1851","0.1919","","","","","","1.319","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102523","30.123","0.013","7.564","0.006","11.044","0.006","90","","91.27","0.01","90","","2516","3","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","bis(4-Amin-N-2-thiazolylbenzenesulfonamide-N)-dichloro-methanl-copper(ii) bis(Sulfathiazole-N)-dichloro-methanl-copper(ii)","","- C19 H22 Cl2 Cu N6 O5 S4 -","- C19 Cl2 Cu N6 O5 S4 -","- C76 Cl8 Cu4 N24 O20 S16 -","4","0.5","BS0022","Prof. Clemente Dore Augusto; Prof. Marzotto Armando","30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum","Acta Crystallographica Section B","2004","60","3","287","292","10.1107/S0108768104006391","","","0.71073","MoKα","","0.055","0.053","","","0.1556","0.1562","","","","","","1.163","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103796","20.244","0.004","10.714","0.002","27.238","0.005","90","","102.76","0.03","90","","5762","2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(2,6-bis((Di-t-butylphosphino)methyl)phenoxy)-trifluoroacetato-palladium(ii)","","- C26 H43 F3 O3 P2 Pd -","- C26 H43 F3 O3 P2 Pd -","- C208 H344 F24 O24 P16 Pd8 -","8","1","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.7107","MoKα","","0.0145","0.0138","","","0.0509","0.0645","","","","","","0.639","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103797","33.99","0.004","9.5179","0.0013","29.467","0.004","90","","114.65","0.03","90","","8664","3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","trans-2-(alpha-Cumyl)cyclohexyl 2-(1,2-bis(benzyloxy)ethyl)-5-(tri-isopropylsily l)-2,3-dihydro-4H-4-pyridone-1-carboxylate","","- C47 H63 N O6 Si -","- C47 H63 N O6 Si -","- C376 H504 N8 O48 Si8 -","8","1","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.7107","MoKα","","0.0341","0.0324","","","0.1198","0.2081","","","","","","1.13","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103865","14.1257","0.0002","6.8799","0.0001","14.3121","0.0003","90","","105.078","0.001","90","","1343.01","0.04","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","manganese carbonyl","","","- C10 Mn2 O10 -","- C10 Mn2 O10 -","- C40 Mn8 O40 -","4","0.5","BS0019","Farrugia, Louis J.; Mallinson, Paul R.; Stewart, Brian","Experimental charge density in the transition metal complex Mn~2~(CO)~10~: a comparative study","Acta Crystallographica Section B","2003","59","2","234","247","10.1107/S0108768103000892","","","","MoKα","","0.0232","0.0214","","","0.0608","0.0616","","","","","","1.107","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103866","14.1257","0.0002","6.8799","0.0001","14.3121","0.0003","90","","105.078","0.001","90","","1343.01","0.04","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C10 Mn2 O10 -","- C10 Mn2 O10 -","- C40 Mn8 O40 -","4","0.5","BS0019","Farrugia, Louis J.; Mallinson, Paul R.; Stewart, Brian","Experimental charge density in the transition metal complex Mn~2~(CO)~10~: a comparative study","Acta Crystallographica Section B","2003","59","2","234","247","10.1107/S0108768103000892","","","0.71073","MoKα","","0.0168","0.0135","","","","0.0157","","","","2.161","2.161","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105557","8.5194","0.0002","4.7448","0.0001","10.397","0.0003","90","","90.013","0.006","90","","420.276","0.018","298","","298","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","phosphorus oxynitride","","- N O P -","- N O P -","- N12 O12 P12 -","12","1.5","BR0087","Haines, J.; Chateau, C.; Léger, J. M.; Le Sauze, A.; Diot, N.; Marchand, R.; Hull, S.","Crystal structure of moganite-type phosphorus oxynitride: relationship to other twinned-quartz-based structures","Acta Crystallographica Section B","1999","55","5","677","682","10.1107/S010876819900347X","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105578","15.31","0.02","6.111","0.012","28.3","0.05","90","","101.61","0.12","90","","2594","8","295","2","295","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","o-formylbenzoic pseudoanhydride","bis(1(3H)-isobenzofuranone-3-yl)ether","","- C16 H10 O5 -","- C16 H10 O5 -","- C128 H80 O40 -","8","1","FR0002","Valente, E. J.; Martin, S. B.; Sullivan, L. D.","Pseudoacids. II. 2-Acylbenzoic Acid Derivatives","Acta Crystallographica Section B","1998","54","3","264","276","10.1107/S0108768197012020","","","0.71073","MoKα","","0.2084","0.0678","","0.2821","0.1431","","","","0.618","1.297","1.297","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106073","4.905","","5.112","","29.857","","90","","93.45","","90","","747.288","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Bi0.868 Sr O2","","- Bi0.868 O2 Sr -","- Bi0.868 O2 Sr -","- Bi6.944 O16 Sr8 -","8","1","","Leligny, H.; Grebille, D.; Perez, O.; Masset, A.C.; Hervieu, M.; Raveau, B.","A five-dimensional structural investigation of the misfit layer compound (Bi0.87 Sr O2)2 (Co O2)1.82","Acta Crystallographica B (39,1983-)","2000","56","","173","182","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106621","13.3114","0.001","6.0032","0.0004","24.1094","0.0015","90","","101.854","0.005","90","","1885.5","0.2","298","","298","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 H10 N2 O5 -","- C8 H10 N2 O5 -","- C64 H80 N16 O40 -","8","1","XK5021","Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine","Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section B","2015","71","4","","","10.1107/S2052520615011300","","","0.71073","MoKα","","0.0877","0.0482","","","0.1111","0.1296","","","","","","1.013","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2107268","7.7839","0.0003","14.1821","0.0005","15.3644","0.0007","90","","90.434","0.004","90","","1696.06","0.12","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","4,4'-bipyridyl lead iodide","","","- C10 H10 I4 N2 Pb -","- C10 H10 I4 N2 Pb -","- C40 H40 I16 N8 Pb4 -","4","0.5","","Weber, Oliver J.; Marshall, Kayleigh L.; Dyson, Lewis M.; Weller, Mark T.","Structural diversity in hybrid organic‒inorganic lead iodide materials","Acta Crystallographica Section B","2015","71","6","668","678","10.1107/S2052520615019885","","","0.71073","MoKα","","0.0342","0.0284","","","0.0513","0.0542","","","","","","0.974","","","","has coordinates,has Fobs","170697","2020-10-21","18:00:00",""
"2107336","9.432","","8.756","","48.792","","90","","92.25","","90","","4026.46","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(Mg28.25 Sc3.81 Co4.36) (Li1.4 Si.49) Si36 O112","","- Co4.36 Li1.4 Mg28.25 O112 Sc3.81 Si36.49 -","- Co4.36 Li1.392 Mg28.24 O112 Sc3.82 Si36.488 -","- Co8.72 Li2.784 Mg56.48 O224 Sc7.64 Si72.976 -","2","0.25","","Takeuchi, Y.; Ito, J.; Kudoh, Y.","New Series of Superstructures Based on Clinopyroxene. I. The Structure of the 'Enstatite-IV' Series, (Mg(x-12)/3 Sc4) (Li4/3 Si(x-4)/3) Ox, with x = 100, 112 or 124","Acta Crystallographica B (39,1983-)","1984","40","","115","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2108055","20.333","0.002","5.1356","0.0005","24.966","0.002","90","","90.909","0.006","90","","2606.7","0.4","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","GW5049","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0504","0.0404","","","0.1087","0.1171","","","","","","1.042","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108056","20.332","0.002","5.1318","0.0005","25.024","0.002","90","","90.917","0.006","90","","2610.7","0.4","140","0.1","140","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0536","0.0422","","","0.1143","0.1248","","","","","","1.073","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108057","20.296","0.007","5.1263","0.0018","25.005","0.009","90","","90.95","0.02","90","","2601.2","1.6","142","0.1","142","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0646","0.0462","","","0.1197","0.1333","","","","","","1.04","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108058","20.088","0.005","5.2242","0.0012","25.033","0.006","90","","92.308","0.016","90","","2624.9","1.1","143","0.1","143","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0676","0.0467","","","0.1195","0.1342","","","","","","1.04","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108059","20.084","0.002","5.2206","0.0006","25.04","0.003","90","","92.375","0.008","90","","2623.2","0.5","150","0.1","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0558","0.0429","","","0.1142","0.1245","","","","","","1.053","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108060","20.126","0.005","5.2212","0.0012","25.134","0.006","90","","92.401","0.016","90","","2638.8","1.1","200","0.1","200","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.077","0.0489","","","0.1263","0.1446","","","","","","1.018","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108061","20.161","0.004","5.218","0.0011","25.234","0.005","90","","92.559","0.014","90","","2652","0.9","250","0.1","250","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.0794","0.0488","","","0.1275","0.1471","","","","","","1.037","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108062","20.246","0.002","5.2132","0.0006","25.372","0.002","90","","92.557","0.007","90","","2675.3","0.5","300","0.1","300","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Isonicotinamide 4-methoxybenzoic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Chia, Tze Shyang; Quah, Ching Kheng","Temperature-induced first-order displacive phase transition of isonicotinamide-4-methoxybenzoic acid co-crystal","Acta Crystallographica Section B","2017","73","2","285","295","10.1107/S2052520616019405","","","0.71073","MoKα","","0.072","0.0515","","","0.1338","0.1504","","","","","","1.064","","","","has coordinates,has Fobs","199047","2020-10-21","18:00:00",""
"2108402","18.1075","0.0002","14.16642","0.00016","18.5436","0.0003","90","","117.163","0.002","90","","4232.16","0.12","223","","223","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H22 Cl2 N2 O2 -","- C24 H22 Cl2 N2 O2 -","- C192 H176 Cl16 N16 O16 -","8","1","","So, Hee-Soo; Matsumoto, Shinya","Three differently coloured polymorphs of 3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-<i>c</i>]pyrrole-1,4-dione","Acta Crystallographica Section B","2019","75","3","","","10.1107/S2052520619004773","","","1.54187","CuKα","","0.0492","0.0459","","","0.1354","0.1391","","","","","","1.097","","","","has coordinates,has Fobs","215524","2020-10-21","18:00:00",""
"2108423","17.5108","0.0014","13.8088","0.0013","18.915","0.0016","90","","114.745","0.009","90","","4153.7","0.7","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H16 Co N6 S2 -","- C20 H16 Co N6 S2 -","- C160 H128 Co8 N48 S16 -","8","1","","Duros, Vasilios; Papatriantafyllopoulou, Constantina; Kitos, Alexandros A.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","Influence of ligand positional isomerism on the molecular and supramolecular structures of cobalt(II)-phenylimidazole complexes","Acta Crystallographica Section B","2019","75","4","","","10.1107/S205252061900636X","","","0.71073","MoKα","","0.0863","0.054","","","0.1253","0.1509","","","","","","1.03","","","","has coordinates,has Fobs","215998","2020-10-21","18:00:00",""
"2108514","21.3047","0.0016","3.7345","0.0002","35.1825","0.0019","90","","93.364","0.006","90","","2794.4","0.3","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H12 N6 -","- C18 H12 N6 -","- C144 H96 N48 -","8","1","","Yuan, Liangqian; Xing, Mengyao; Pan, Fangfang","Polymorphs of 2,4,6-tris(4-pyridyl)-1,3,5-triazine and their mechanical properties","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619012514","","x-ray","0.71073","MoKα","","0.0989","0.0605","","","0.1433","0.1613","","","","","","1.036","","","","has coordinates,has Fobs","280060","2022-12-29","10:53:48",""
"2108553","13.4002","0.0003","7.4869","0.0002","14.5329","0.0003","90","","90.059","0.002","90","","1458.03","0.06","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Caesium borophosphate hydroxide","Caesium Borodiphosphate Dihydroxide","","- B Cs H2 O8 P2 -","- B Cs H2 O8 P2 -","- B8 Cs8 H16 O64 P16 -","8","1","JE5022","Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander","Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619013763","","","0.71073","MoKα","","0.0434","0.0344","","","0.0653","0.0684","","","","","","1.133","","","","has coordinates,has Fobs","232449","2020-10-21","18:00:00",""
"2109073","8.6385","0.0001","6.6817","","11.6069","0.0001","90","","107.466","0.001","90","","639.061","0.01","100","0.11","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cyanuric acid dihydrate","1,3,5-triazine-2,4,6-triol","","- C3 H7 N3 O5 -","- C3 H7 N3 O5 -","- C12 H28 N12 O20 -","4","0.5","PX5048","Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria","New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622008800","","","0.71073","MoKα","","0.017","0.017","","","","0.034","","","","","","0.995","","","","has coordinates,has Fobs","278939","2022-11-04","02:48:41",""
"2200613","16.435","0.005","7.562","0.005","16.527","0.004","90","","90.28","0.02","90","","2054","1.6","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","cis-(2-amino-1,1-dimethylethylamine)-dichloro-palladium(II) ethanol solvate","","- C5 H15 Cl2 N2 O0.5 Pd -","- C5 H15 Cl2 N2 O0.5 Pd -","- C40 H120 Cl16 N16 O4 Pd8 -","8","1","CF6110","Farrugia, Louis J.; Cross, Ronald J.; Barley, Helen R. L.","<i>cis</i>-(2-Amino-1,1-dimethylethylamine)dichloropalladium(II) ethanol hemisolvate","Acta Crystallographica Section E","2001","57","11","m494","m495","10.1107/S1600536801015884","","","0.71073","MoKα","","0.0352","0.0258","","","","0.0583","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200646","19.929","0.001","4.3417","0.0002","22.788","0.002","90","","91.4","0.01","90","","1971.2","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","1,3-bis(8-chlorotheophyllin-7-yl)propane","1,3-bis(8-chlorotheophyllin-7-yl)propane","","- C17 H18 Cl2 N8 O4 -","- C17 H18 Cl2 N8 O4 -","- C68 H72 Cl8 N32 O16 -","4","0.5","CI6069","Maulik, Prakas R.; Avasthi, Kamlakar; Sarkhel, Sanjay; Sharon, Ashoke; Rawat, Diwan S.; Bal, Chandralata","1,3-Bis(8-chlorotheophyllin-7-yl)propane: a molecule with no intramolecular stacking","Acta Crystallographica Section E","2001","57","12","o1163","o1165","10.1107/S1600536801018670","","","0.71073","MoKα","","0.047","0.037","","","","0.098","","","","","","1.07","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200844","9.7236","0.0009","6.2851","0.0008","10.517","0.002","90","","95.691","0.005","90","","639.57","0.16","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","3,5-lutidine","3,5-dimethylpyridine","","- C7 H9 N -","- C7 H9 N -","- C28 H36 N4 -","4","0.5","CF6133","Bond, Andrew D.; Davies, John E.","3,5-Lutidine","Acta Crystallographica Section E","2002","58","1","o5","o7","10.1107/S1600536801020426","","","0.7107","MoKα","","0.0963","0.0688","","","0.1914","0.2139","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200856","16.4925","0.0004","7.2697","0.0002","19.2129","0.0006","90","","109.412","0.0018","90","","2172.59","0.11","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ-1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloeicosane- κ^4^N^1^,N^17^:N^7^,N^11^)bis[dichlorozinc(II)]","","- C12 H28 Cl4 N4 O4 Zn2 -","- C12 H28 Cl4 N4 O4 Zn2 -","- C48 H112 Cl16 N16 O16 Zn8 -","4","0.5","CF6145","Kuksa, Vladimir A.; Wardell, Solange M. S. V; Lin, Paul Kong Thoo; Howie, R. Alan","Rerefinement of (μ-1,7,11,17-tetraoxa-2,6,12,16-tetraazacycloeicosane-κ^4^<i>N</i>^1^,<i>N</i>^17^:<i>N</i>^7^,<i>N</i>^11^)bis[dichlorozinc(II)]","Acta Crystallographica Section E","2002","58","2","m68","m69","10.1107/S1600536802001654","","","0.71073","MoKα","","0.0403","0.031","","","0.0785","0.0841","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200975","14.2248","0.0011","9.167","0.0005","59.834","0.005","90","","90.38","0.009","90","","7802.1","1","153","2","153","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","decacarbonyl-1κ^4^C,2κ^3^C,3κ^3^C-μ-hydrido-2:3κ^2^H:H-μ-pyrazolyl- 2:3κ^2^N^1^:N^2^-triangulo-triruthenium","","- C14.5 H7 N2 O10 Ru3 -","- C14.5 H7 N2 O10 Ru3 -","- C232 H112 N32 O160 Ru48 -","16","2","TK6053","Lozano Diz, Enrique; Neels, Antonia; Therrien, Bruno; Stoeckli-Evans, Helen; Süss-Fink, Georg","A cluster containing a pyrazole ligand: [Ru~3~(μ-H)(μ-N~2~C~3~H~3~)(CO)~10~]","Acta Crystallographica Section E","2002","58","3","m110","m112","10.1107/S1600536802002957","","","0.71073","MoKα","","0.044","0.041","","","0.106","0.107","","","","","","1.36","","","","has coordinates,has Fobs","194596","2020-10-21","18:00:00",""
"2201150","14.2535","0.001","33.714","0.003","14.3511","0.0012","90","","100.831","0.006","90","","6773.5","1","290","2","290","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","4,4'-bipyridine 1,2-diiodotetrafluorobenzene","","- C16 H8 F4 I2 N2 -","- C16 H8 F4 I2 N2 -","- C256 H128 F64 I32 N32 -","16","2","NA6158","Rosalba Liantonio; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati","4,4'-Bipyridine 1,2-diiodo-3,4,5,6-tetrafluorobenzene","Acta Crystallographica Section E","2002","58","5","o575","o577","10.1107/S1600536802007201","","","0.71069","MoKα","","0.0566","0.0385","","","0.0879","0.094","","","","","","0.966","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201234","14.383","0.003","14.217","0.003","15.252","0.005","90","","92.85","0.01","90","","3114.9","1.4","298","1","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","κ^2^N^13^,N^43^Hydro-rac-2,2'-bis[2-(1-propyl benzimidazol-2yl)]biphenyl trifluoromethanesulfonate","","- C33 H31 F3 N4 O3 S -","- C33 H31 F3 N4 O3 S -","- C132 H124 F12 N16 O12 S4 -","4","0.5","AC6014","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","κ^2^<i>N</i>^13^,<i>N</i>^13'^-Hydro-<i>rac</i>-2,2'-bis[2-(1-propylbenzimidazol-2yl)]biphenyl trifluoromethanesulfonate, the salt of a novel proton sponge","Acta Crystallographica Section E","2002","58","10","o1142","o1144","10.1107/S1600536802016756","","","0.71073","MoKα","","0.0588","0.0463","","","0.1367","0.1463","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201719","10.542","0.008","5.359","0.003","11.958","0.005","90","","115.83","0.02","90","","608","0.6","150","","150","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- Cl4 Pb -","- Cl4 Pb -","- Cl16 Pb4 -","4","0.5","","Iain J. Maley; Simon Parsons; Colin R. Pulham","Lead(IV) chloride at 150 K","Acta Crystallographica, Section E","2002","58","","i79","i81","10.1107/S1600536802015064","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:21",""
"2201773","6.2147","0.0004","8.0225","0.0005","7.8111","0.0007","90","","93.44","0.01","90","","388.74","0.05","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","Terbium(III) trioxoborate","Terbium(III) trioxoborate","","- B3 O6 Tb -","- B3 O6 Tb -","- B12 O24 Tb4 -","4","0.5","BR6096","Goriounova, Alexandra; Held, Peter; Becker, Petra; Bohatý, Ladislav","Monoclinic modification of polymorphic TbB~3~O~6~","Acta Crystallographica Section E","2003","59","6","i83","i85","10.1107/S1600536803009553","","","0.71073","MoKα","","0.063","0.0356","","","0.0753","0.0823","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204580","6.283","0.0009","8.0331","0.0006","7.8406","0.0007","90","","93.7","0.01","90","","394.91","0.07","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","","Europium(III) trioxoborate","Europium(III) trioxoborate","","- B3 Eu O6 -","- B3 Eu O6 -","- B12 Eu4 O24 -","4","0.5","WM6032","Goriounova, Alexandra; Held, Peter; Becker, Petra; Bohatý, Ladislav","Europium triborate, EuB~3~O~6~","Acta Crystallographica, Section E","2004","60","11","i131","i133","10.1107/S1600536804024353","","","0.71073","MoKα","","0.0497","0.0473","","","0.1048","0.1065","","","","","","1.089","","","","has coordinates","282068","2023-03-26","10:12:36",""
"2204581","6.4468","0.0002","8.1266","0.0003","7.93","0.0002","90","","93.639","0.006","90","","414.62","0.02","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","","Cerium(III) trioxoborate","Cerium(III) trioxoborate","","- B3 Ce O6 -","- B3 Ce O6 -","- B12 Ce4 O24 -","4","0.5","WM6033","Goriounova, Alexandra; Held, Peter; Becker, Petra; Bohatý, Ladislav","Cerium triborate, CeB~3~O~6~","Acta Crystallographica, Section E","2004","60","11","i134","i135","10.1107/S1600536804024365","","","0.71073","MoKα","","0.0315","0.0311","","","0.0857","0.0862","","","","","","1.191","","","","has coordinates","282068","2023-03-26","10:12:38",""
"2205398","18.515","0.003","9.927","0.002","20.948","0.003","90","","94.659","0.003","90","","3837.5","1.1","295","2","295","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Poly[[[(1,10-phenanthroline)manganese(II)]-μ~3~-2-nitrobenzene-1,4- dicarboxylato] monohydrate]","","- C20 H13 Mn N3 O7 -","- C20 H13 Mn N3 O7 -","- C160 H104 Mn8 N24 O56 -","8","1","AC6166","Zhu, Long-Guan; Xiao, Hong-Ping","Poly[[[(1,10-phenanthroline)manganese(II)]-μ~3~-2-nitrobenzene-1,4-dicarboxylato] monohydrate]","Acta Crystallographica Section E","2005","61","4","m769","m771","10.1107/S1600536805009086","","","0.71073","MoKα","","0.1044","0.0628","","","0.1149","0.1421","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205625","9.877","0.002","4.6915","0.001","32.603","0.006","90","","106.25","0.01","90","","1450.4","0.5","105","2","105","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","DL-methionine","DL-methionine","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C40 H88 N8 O16 S8 -","8","1","WN6339","M. Alagar; R. V. Krishnakumar; A. Mostad; S. Natarajan","β-<small>DL</small>-Methionine at 105 K","Acta Crystallographica Section E","2005","61","4","o1165","o1167","10.1107/S1600536805009141","","","0.71073","MoKα","","0.0422","0.0408","","","0.0996","0.1003","","","","","","1.231","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206234","15.5563","0.0008","4.6549","0.0002","15.0454","0.0007","90","","103.399","0.001","90","","1059.83","0.09","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Propane-1,3-diaminium bis(dihydrogenarsenate)","","- C3 H16 As2 N2 O8 -","- C3 H16 As2 N2 O8 -","- C12 H64 As8 N8 O32 -","4","0.5","LH6441","Wilkinson, Hazel S.; Harrison, William T. A.","Propane-1,3-diaminium bis(dihydrogenarsenate)","Acta Crystallographica Section E","2005","61","7","m1289","m1291","10.1107/S1600536805017411","","","0.71073","MoKα","","0.0406","0.0365","","","0.092","0.0944","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207982","15.2574","0.0012","11.0441","0.0008","19.155","0.002","90","","90.246","0.001","90","","3227.7","0.5","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Tris(ethylenediamine) cadmium nitrate","Tris(ethylenediamine-κ^2^N,N')cadmium(II) dinitrate","","- C6 H24 Cd N8 O6 -","- C6 H24 Cd N8.003 O6.009 -","- C48 H192 Cd8 N64.024 O48.072 -","8","1","BT6805","Timothy J. Prior","Tris(ethylenediamine-κ^2^<i>N,N</i>')cadmium(II) dinitrate","Acta Crystallographica Section E","2006","62","2","m352","m354","10.1107/S1600536806002170","","","0.6711","synchrotron","","0.0631","0.0495","","","0.1084","0.1181","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208129","7.51","0.002","15.531","0.004","6.6809","0.0018","90","","98.057","0.005","90","","771.6","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","catena-Poly[cadmium(II)-di-μ-chloro-μ-4-1H-pyridone-κO:κO]","","- C5 H5 Cd Cl2 N O -","- C5 H5 Cd Cl2 N O -","- C20 H20 Cd4 Cl8 N4 O4 -","4","0.5","NC6058","Englert, Ulli; Schiffers, Stefanie","<i>catena</i>-Poly[cadmium(II)-di-μ-chloro-μ-4-1<i>H</i>-pyridone-κ<i>O</i>:κ<i>O</i>]","Acta Crystallographica Section E","2006","62","2","m194","m195","10.1107/S1600536805042595","","","0.71073","MoKα","","0.0224","0.0211","","","0.0632","0.0644","","","","","","1.398","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2210613","19.178","0.003","9.8913","0.0006","19.1983","0.0019","90","","114.513","0.011","90","","3313.6","0.7","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3-[α-(2-Hydroxyethylamino)benzylidene]-2-methoxy-2,3-dihydro- 1,2λ^5^-benzoxaphosphinine-2,4-dione","","- C18 H18 N O5 P -","- C18 H18 N O5 P -","- C144 H144 N8 O40 P8 -","8","1","GD2014","Małecka, Magdalena; Budzisz, Elżbieta","3-[α-(2-Hydroxyethylamino)benzylidene]-2-methoxy-2,3-dihydro-1,2λ^5^-benzoxaphosphinine-2,4-dione","Acta Crystallographica Section E","2006","62","10","o4560","o4562","10.1107/S1600536806037469","","","0.71073","MoKα","","0.0553","0.038","","","0.0966","0.1025","","","","","","0.945","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212531","12.7293","0.0007","10.4916","0.0012","39.6468","0.001","90","","96.99","0.011","90","","5255.5","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(2RS,5RS,6RS)-Ethyl 4-hydroxy-2,6-di-p-tolyl-5-p-tolylsulfanyl- 1,2,5,6-tetrahydropyridine-3-carboxylate","","- C29 H31 N O3 S -","- C29 H31 N O3 S -","- C232 H248 N8 O24 S8 -","8","1","DN2129","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","(2<i>RS</i>,5<i>RS</i>,6<i>RS</i>)-Ethyl 4-hydroxy-2,6-di-<i>p</i>-tolyl-5-<i>p</i>-tolylsulfanyl-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2007","63","3","o1375","o1376","10.1107/S1600536807007167","","","0.71073","MoKα","","0.1326","0.0432","","","0.113","0.146","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212534","20.4798","0.0009","10.5692","0.0007","23.072","0.018","90","","92.79","0.05","90","","4988","4","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","N,N,N',N'-Tetramethylbutane-1,4-diammonium bis(p-aminobenzoate) 2.25-hydrate","","- C22 H38.5 N4 O6.25 -","- C22 H38.5 N4 O6.25 -","- C176 H308 N32 O50 -","8","1","DN3037","A. Elangovan; A. Thamaraichelvan; A. Ramu; S. Athimoolam; S. Natarajan","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylbutane-1,4-diammonium bis(<i>p</i>-aminobenzoate) 2.25-hydrate","Acta Crystallographica Section E","2007","63","3","o1418","o1420","10.1107/S1600536807007325","","","0.71069","MoKα","","0.121","0.0551","","","0.143","0.1778","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214085","13.0715","0.0012","5.8535","0.0006","26.377","0.006","90","","90.339","0.002","90","","2018.2","0.5","295","2","295","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(2E,2'E)-3,3'-(1,4-Phenylene)bis[1-(4-methoxyphenyl)prop-2-en-1-one]","","- C26 H22 O4 -","- C26 H22 O4 -","- C104 H88 O16 -","4","0.5","BT2384","Harrison, William T. A.; H. J. Ravindra; M. R. Suresh Kumar; S. M. Dharmaprakash","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-Phenylene)bis[1-(4-methoxyphenyl)prop-2-en-1-one]","Acta Crystallographica Section E","2007","63","7","o3067","o3067","10.1107/S1600536807026293","","","0.71073","MoKα","","0.0686","0.0503","","","0.1367","0.1498","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214795","23.64","0.002","5.084","0.0005","19.2139","0.0019","90","","93.974","0.01","90","","2303.7","0.4","203","2","203","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","isoxazolocarbazole","3,9-Dimethyl-10H-isoxazolo[5,4-a]carbazole","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","1","LH2462","A. Thiruvalluvar; A. Thomas Gunaseelan; A. Ebenezer Martin; K. J. Rajendra Prasad; R. J. Butcher","3,9-Dimethyl-10<i>H</i>-isoxazolo[5,4-<i>a</i>]carbazole","Acta Crystallographica Section E","2007","63","8","o3631","o3631","10.1107/S1600536807035222","","","0.71073","MoKα","","0.1772","0.0474","","","0.0958","0.1202","","","","","","0.795","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215534","13.204","0.003","10.131","0.002","20.795","0.005","90","","99.973","0.003","90","","2739.7","1.1","298","2","298","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ-Oxo-bis[dichlorido(diethylamido-κN)(diethylamine-κN)titanium(IV)]","","- C16 H42 Cl4 N4 O Ti2 -","- C16 H42 Cl4 N4 O Ti2 -","- C64 H168 Cl16 N16 O4 Ti8 -","4","0.5","HG2295","Straessler, Nicholas A.; Caudle, M. Tyler; Groy, Thomas L.","μ-Oxido-bis[dichlorido(diethylamido-κ<i>N</i>)(diethylamine-κ<i>N</i>)titanium(IV)]","Acta Crystallographica Section E","2007","63","10","m2563","m2563","10.1107/S1600536807044832","","","0.71073","MoKα","","0.0932","0.0578","","","0.1411","0.1532","","","","","","0.931","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216839","21.94","0.002","5.0674","0.0004","23.314","0.003","90","","96.598","0.009","90","","2574.9","0.5","100","1","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(2E)-3-(4-Methoxyphenyl)-1-(3-methyl-2-thienyl)prop-2-en-1-one","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C120 H112 O16 S8 -","8","1","XU2354","Sarojini, B. K.; Yathirajan, H. S.; Narayana, B.; Swamy, M. T.; Kubicki, Maciej","(2<i>E</i>)-3-(4-Methoxyphenyl)-1-(3-methyl-2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2007","63","12","o4688","o4688","10.1107/S1600536807057480","","","0.71073","MoKα","","0.0924","0.0589","","","0.1167","0.13","","","","","","1.115","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219734","19.255","0.006","4.6454","0.0015","31.109","0.011","90","","90.519","0.007","90","","2782.5","1.6","125","2","125","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1-(5-Chloro-2,4-dihydroxyphenyl)-2-(4-ethoxyphenyl)ethanone","","- C16 H15 Cl O4 -","- C16 H15 Cl O4 -","- C128 H120 Cl8 O32 -","8","1","WN2279","Botting, Nigel P.; Slawin, Alexandra M. Z.; Zhang, Qingzhi","1-(5-Chloro-2,4-dihydroxyphenyl)-2-(4-ethoxyphenyl)ethanone","Acta Crystallographica Section E","2008","64","10","o2030","","10.1107/S1600536808030699","","","0.71073","MoKα","","0.1146","0.0488","","","0.085","0.1011","","","","","","0.891","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219979","20.2021","0.0006","8.05","0.0001","24.0238","0.0007","90","","105.29","0.02","90","","3768.6","0.4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ethyl 4-(2-chloroquinolin-3-yl)-1-phenyl-1<i>H</i>-pyrrole-3-carboxylate","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C176 H136 Cl8 N16 O16 -","8","1","RZ2251","Benzerka, Saida; Bouraiou, Abdelmalek; Bouacida, Sofiane; Debache, Abdelmadjid; Belfaitah, Ali","Ethyl 4-(2-chloroquinolin-3-yl)-1-phenyl-1<i>H</i>-pyrrole-3-carboxylate","Acta Crystallographica Section E","2008","64","11","o2115","o2116","10.1107/S1600536808032546","","","0.71073","MoKα","","0.08","0.0511","","","0.1237","0.1424","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2220325","20.7108","0.0006","17.4754","0.0005","15.646","0.0006","90","","97.767","0.003","90","","5610.8","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(maleato- κ^2^<i>O</i>^1^,<i>O</i>^1'^)nickel(II) 7.34-hydrate","","- C24 H32.68 N4 Ni O11.34 -","- C24 H32.68 N4 Ni O11.34 -","- C192 H261.44 N32 Ni8 O90.72 -","8","1","RZ2262","Pavlová, Anna; Černák, Juraj; Harms, Klaus","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(maleato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)nickel(II) 7.34-hydrate","Acta Crystallographica Section E","2008","64","12","m1536","m1537","10.1107/S1600536808036672","","","0.71073","MoKα","","0.0308","0.0233","","","0.0566","0.0582","","","","","","0.956","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222568","10.4706","0.0002","6.8292","0.0001","12.8795","0.0002","90","","101.75","0.003","90","","901.66","0.03","300","","300","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","yttrium germanium pentaoxide","","- Ge O5 Y2 -","- Ge O5 Y2 -","- Ge8 O40 Y16 -","8","1","BR2110","Rivera-Muñoz, Eric M.; Bucio, Lauro","Rietveld refinement of Y~2~GeO~5~","Acta Crystallographica Section E","2009","65","8","i60","","10.1107/S1600536809026579","powder diffraction","","1.54175","CuKα","","","","","","","","","","2.9","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2223827","14.3088","0.0003","10.79","0.0002","18.1286","0.0005","90","","107.676","0.001","90","","2666.77","0.11","90","0.2","90","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-5-yl)- 5-fluoro-3-hydroxy-1-methylindolin-2-one methanol hemisolvate","","- C13.5 H15 F N4 O3.5 -","- C13.5 H15 F N4 O3.5 -","- C108 H120 F8 N32 O28 -","8","1","HG2556","Penthala, Narsimha Reddy; Reddy, Thirupathi Reddy Yerram; Parkin, Sean; Crooks, Peter A.","3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-5-yl)-5-fluoro-3-hydroxy-1-methylindolin-2-one methanol hemisolvate","Acta Crystallographica Section E","2009","65","11","o2909","o2910","10.1107/S1600536809043797","","","1.54178","CuKα","","0.0387","0.0345","","","0.088","0.0922","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2226134","24.4","0.003","16.1419","0.0016","24.594","0.002","90","","110.252","0.009","90","","9087.8","1.7","223","2","223","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","[μ-1,2-Bis(diphenylphosphino)methane- κ^2^<i>P</i>:<i>P</i>']bis{[(<i>Z</i>)-<i>O</i>-ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>]gold(I)}","","- C43 H40 Au2 N4 O6 P2 S2 -","- C43 H40 Au2 N4 O6 P2 S2 -","- C344 H320 Au16 N32 O48 P16 S16 -","8","1","HB5435","Ho, Soo Yei; Tiekink, Edward R. T.","[μ-1,2-Bis(diphenylphosphino)methane-κ^2^<i>P</i>:<i>P</i>']bis{[(<i>Z</i>)-<i>O</i>-ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>]gold(I)}","Acta Crystallographica Section E","2010","66","6","m622","m623","10.1107/S1600536810016326","","","0.71069","MoKα","","0.059","0.039","","","0.091","0.11","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227414","17.2346","0.0011","3.8767","0.0002","18.1573","0.0019","90","","94.872","0.003","90","","1208.77","0.16","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","2,2',5,5'-Tetrachlorobenzidine","2,2',5,5'-Tetrachlorobenzidine","","- C12 H8 Cl4 N2 -","- C12 H8 Cl4 N2 -","- C48 H32 Cl16 N8 -","4","0.5","FJ2305","Ugono, Onome; Douglas Jr, Marcel; Rath, Nigam P.; Beatty, Alicia M.","2,2',5,5'-Tetrachlorobenzidine","Acta Crystallographica Section E","2010","66","9","o2285","","10.1107/S1600536810030886","","","0.71073","MoKα","","0.0303","0.0254","","","","0.0747","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227863","21.19","0.0003","5.8543","0.0001","26.6803","0.0005","90","","98.304","0.001","90","","3275.06","0.1","90","0.2","90","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","4'-Chlorobiphenyl-3-yl 2,2,2-trichloroethyl sulfate","","- C14 H10 Cl4 O4 S -","- C14 H10 Cl4 O4 S -","- C112 H80 Cl32 O32 S8 -","8","1","OM2350","Li, Xueshu; Parkin, Sean; Duffel, Michael W.; Robertson, Larry W.; Lehmler, Hans-Joachim","4'-Chlorobiphenyl-3-yl 2,2,2-trichloroethyl sulfate","Acta Crystallographica Section E","2010","66","9","o2306","","10.1107/S1600536810031338","","","0.71073","MoKα","","0.033","0.0257","","","0.0641","0.0672","","","","","","1.049","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228785","11.288","0.002","15.965","0.003","14.449","0.004","90","","101.296","0.012","90","","2553.5","1","273","2","273","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Piperazine-1,4-diium bis(hydrogen 2-propyl-1<i>H</i>-imidazole-4,5-dicarboxylate) monohydrate","","- C20 H32 N6 O9 -","- C20 H32 N6 O9 -","- C80 H128 N24 O36 -","4","0.5","JH2238","Gao, Zhu-Qing; Gu, Jin-Zhong","Piperazine-1,4-diium bis(hydrogen 2-propyl-1<i>H</i>-imidazole-4,5-dicarboxylate) monohydrate","Acta Crystallographica Section E","2011","67","1","o31","","10.1107/S1600536810049822","","","0.71073","MoKα","","0.0741","0.0499","","","0.1202","0.1358","","","","","","1.047","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229769","11.9075","0.0006","4.0523","0.0002","25.8065","0.0015","90","","98.326","0.003","90","","1232.11","0.11","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","<i>N</i>,<i>N'</i>-bis(5-Bromopyridin-2-yl)methanediamine","5-bromo-<i>N</i>-{[(5-bromopyridin-2-yl)amino]methyl}pyridin-2-amine","","- C11 H10 Br2 N4 -","- C11 H10 Br2 N4 -","- C44 H40 Br8 N16 -","4","0.5","NG5123","Nichol, Gary S.; Sharma, Anuj; Li, Hong-Yu","<i>N</i>,<i>N</i>'-Bis(5-bromopyridin-2-yl)methanediamine","Acta Crystallographica Section E","2011","67","4","o833","","10.1107/S160053681100821X","","","0.71073","MoKα","","0.0245","0.0194","","","0.0488","0.0508","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230649","7.2789","0.0015","18.072","0.004","7.3652","0.0014","90","","91.7","0.03","90","","968.4","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Poly[(μ~5~-3,5-dinitrobenzoato)rubidium]","","- C7 H3 N2 O6 Rb -","- C7 H3 N2 O6 Rb -","- C28 H12 N8 O24 Rb4 -","4","0.5","GO2012","Miao, Yanqing; Zhang, Xiaoqing; Liu, Chunye","Poly[(μ~5~-3,5-dinitrobenzoato)rubidium]","Acta Crystallographica Section E","2011","67","7","m1002","","10.1107/S1600536811023026","","","0.71073","MoKα","","0.0404","0.0325","","","0.0745","0.0777","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235246","17.7","0.014","10.965","0.009","18.37","0.02","90","","90.431","0.006","90","","3565","6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Bis{2-[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine- κ<i>N</i>}cobalt(II) dinitrate","","- C32 H38 Co N12 O6 -","- C32 H38 Co N12 O6 -","- C128 H152 Co4 N48 O24 -","4","0.5","SU2416","Xiao, Chao-Hu; Song, Xue-Yan; Sun, Zan; Cao, Ping; Pang, Ting","Bis{2-[bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}cobalt(II) dinitrate","Acta Crystallographica Section E","2012","68","6","m857","","10.1107/S1600536812021435","","","0.71073","MoKα","","0.075","0.0429","","","0.1041","0.1306","","","","","","1.103","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238629","7.6456","0.0007","21.4096","0.0018","9.7404","0.0012","90","","100.278","0.001","90","","1568.8","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Pyridinium <i>trans</i>-diaquabis[oxalato(2-)-κ^2^<i>O</i>^1^,<i>O</i>^2^]chromate(III) urea monosolvate","","- C10 H14 Cr N3 O11 -","- C10 H14 Cr N3 O11 -","- C40 H56 Cr4 N12 O44 -","4","0.5","HB7141","Bebga, Gouet; Signé, Martin; Nenwa, Justin; Mbarki, Mohammed; Fokwa, Boniface P. T.","Pyridinium <i>trans</i>-diaquabis[oxalato(2{-})-κ^2^<i>O</i>^1^,<i>O</i>^2^]chromate(III) urea monosolvate","Acta Crystallographica Section E","2013","69","10","m567","","10.1107/S1600536813026135","","","0.71073","MoKα","","0.0498","0.0407","","","0.1031","0.1108","","","","","","1.102","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2239296","9.276","0.001","4.764","0.001","50.154","0.003","90","","95.02","0.02","90","","2207.8","0.5","295","1","295","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cobalt(II) sebacate","Poly[(μ~4~-decanedioato)cobalt(II)]","","- C10 H16 Co O4 -","- C10 H16 Co O4 -","- C80 H128 Co8 O32 -","8","1","","Giuseppe, Bruno; Francesco, Nicolò; Giovanni, Grassi; Alessandro, Saccà; Mollica Nardo, Viviana","Poly[(μ4-decanedioato)cobalt(II)]","Acta Crystallographica Section E Structure Reports Online","2014","70","5","m159","","10.1107/S1600536814006011","","","0.71073","MoKα","","0.0564","0.0466","","","0.1459","0.1573","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239700","15.6933","0.0009","9.2655","0.0003","19.1321","0.001","90","","112.654","0.006","90","","2567.3","0.2","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(18-Crown-6)potassium(I) diphenylstibate(-1)","(1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium diphenylstibide","","- C24 H34 K O6 Sb -","- C24 H34 K O6 Sb -","- C96 H136 K4 O24 Sb4 -","4","0.5","FF2129","Kaas, Marina; Friedrich, Ute; Korber, Nikolaus","(18-Crown-6)potassium(I) diphenylstibate({-}1)","Acta Crystallographica Section E","2014","70","7","m260","","10.1107/S1600536814013282","","","0.71073","MoKα","","0.0293","0.0232","","","0.0489","0.0534","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239874","16.4498","0.0017","6.0691","0.0004","21.605","0.003","90","","93.885","0.009","90","","2152","0.4","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,5-Bis(4-methylpyridin-2-yl)pyrazine chloroform disolvate","","- C18 H16 Cl6 N4 -","- C18 H16 Cl6 N4 -","- C72 H64 Cl24 N16 -","4","0.5","","Schmitt, Laurette; Stoeckli-Evans, Helen","Crystal structure of 2,5-bis(4-methylpyridin-2-yl)pyrazine chloroform disolvate","Acta Crystallographica Section E","2014","70","9","o893","o894","10.1107/S1600536814009544","","","0.71073","MoKα","","0.045","0.0402","","","0.1086","0.112","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239963","20.1817","0.0004","12.4559","0.0003","28.6781","0.0006","90","","94.213","0.002","90","","7189.7","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Azido(η^5^-cyclopentadienyl)bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) dichloromethane hemisolvate","","- C41.5 H36 Cl N3 P2 Ru -","- C41.5 H36 Cl N3 P2 Ru -","- C332 H288 Cl8 N24 P16 Ru8 -","8","1","","Hernández-Calva, Adriana; Meléndez-Balbuena, Lidia; Arroyo, Maribel; Ramírez-Monroy, Armando","Crystal structure of azido(η^5^-cyclopentadienyl)bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) dichloromethane hemisolvate","Acta Crystallographica Section E","2014","70","10","m345","m346","10.1107/S1600536814019187","","","0.71073","MoKα","","0.0365","0.0267","","","","0.0651","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2240074","9.877","0.002","4.6915","0.001","32.603","0.006","90","","106.25","0.01","90","","1450.4","0.5","105","2","105","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","<i>DL</i>-methionine","2-Amino-4-(methylsulfanyl)butanoic acid","","- C5 H11 N O2 S -","- C5 H11 N O2 S -","- C40 H88 N8 O16 S8 -","8","1","HB7289","Görbitz, Carl Henrik","Redetermined structure of β-<small>DL</small>-methionine at 105K: an example of the importance of freely refining the positions of the amino-group H atoms","Acta Crystallographica Section E","2014","70","11","341","343","10.1107/S1600536814022223","","","0.71073","MoKα","","0.0389","0.0377","","","0.0913","0.0918","","","","","","1.259","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240930","14.796","0.0007","10.4422","0.0004","21.7751","0.001","90","","108.352","0.003","90","","3193.2","0.2","296","2","296.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","4-(Dimethylamino)pyridinium <i>cis</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')ferrate(III) hemihydrate","","- C11 H16 Fe N2 O10.5 -","- C11 H16 Fe N2 O10.5 -","- C88 H128 Fe8 N16 O84 -","8","1","VN2095","Djomo, Edith Dimitri; Capet, Frédéric; Nenwa, Justin; Bélombé, Michel M.; Foulon, Michel","Crystal structure of 4-(dimethylamino)pyridinium <i>cis</i>-diaquabis(oxalato-κ^2^<i>O</i>,<i>O</i>')ferrate(III) hemihydrate","Acta Crystallographica Section E","2015","71","8","934","936","10.1107/S2056989015013213","","","0.71073","MoKα","","0.0669","0.0422","","","0.1077","0.123","","","","","","1.055","","","","has coordinates,has Fobs","196234","2020-10-21","18:00:00",""
"2240947","20.5012","0.0003","7.4565","0.0001","23.1414","0.0003","90","","90.639","0.001","90","","3537.34","0.08","100.5","0.4","100.5","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","4-Phenylpiperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide","","- C17 H23 Cl N4 O2 -","- C17 H23 Cl N4 O2 -","- C136 H184 Cl8 N32 O16 -","8","1","","Al-Alshaikh, Monirah A.; El-Emam, Ali A.; Al-Deeb, Omar A.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structures of 4-phenylpiperazin-1-ium 6-chloro-5-ethyl-2,4-dioxopyrimidin-1-ide and 4-phenylpiperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide","Acta Crystallographica Section E","2015","71","8","956","959","10.1107/S2056989015013298","","","1.5418","CuKα","","0.0501","0.0443","","","0.1158","0.1221","","","","","","1.031","","","","has coordinates,has Fobs","152448","2020-10-21","18:00:00",""
"2240959","13.4748","0.0007","8.3853","0.0003","25.0214","0.0009","90","","93.957","0.004","90","","2820.4","0.2","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(2<i>E</i>)-1-(3-Bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C15 H13 Br O3 S -","- C15 H13 Br O3 S -","- C120 H104 Br8 O24 S8 -","8","1","","Naik, Vasant S.; Shettigar, Venkataraya; Berglin, Tyler S.; Coburn, Jillian S.; Jasinski, Jerry P.; Yathirajan, Hemmige S.","Crystal structures of (2<i>E</i>)-1-(3-bromothiophen-2-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (2<i>E</i>)-1-(3-bromothiophen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2015","71","8","966","972","10.1107/S2056989015013420","","","1.54184","CuKα","","0.0803","0.0737","","","0.1813","0.1873","","","","","","1.044","","","","has coordinates,has Fobs","152537","2020-10-21","18:00:00",""
"2241665","27.1825","0.0005","8.53737","0.00013","26.0667","0.0005","90","","100.844","0.0017","90","","5941.2","0.19","298","","298","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate","","- C13 H12.5 Br6 Cl1.5 O2 Re2 S8 -","- C13 H12.5 Br6 Cl1.5 O2 Re2 S8 -","- C104 H100 Br48 Cl12 O16 Re16 S64 -","8","1","RZ5188","Golichenko, Alexander A.; Kravchenko, Andrey V.; Omelchenko, Irina V.; Chudak, Denis M.; Starodub, Vladimir A.; Barszcz, Boleslaw; Shtemenko, Alexander V.","Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate","Acta Crystallographica Section E","2016","72","5","712","715","10.1107/S2056989016006058","","","0.71073","MoKα","","0.0555","0.0521","","","0.1357","0.1373","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","182302","2020-10-21","18:00:00",""
"2241793","13.2423","0.0002","5.1239","0.0001","16.1839","0.0003","90","","94.838","0.002","90","","1094.2","0.03","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,1-Dimethylhydrazin-1-ium bromide","","- C2 H9 Br N2 -","- C2 H9 Br N2 -","- C16 H72 Br8 N16 -","8","1","SU5314","Katinaitė, Judita; Harrison, William T. A.","Different cation-protonation patterns in molecular salts of unsymmetrical dimethyhydrazine: C~2~H~9~N~2~·Br and C~2~H~9~N~2~·H~2~PO~3~","Acta Crystallographica Section E","2016","72","8","1206","1210","10.1107/S2056989016011993","","","0.71073","MoKα","","0.0202","0.0197","","","0.0506","0.0509","","","","","","1.122","","","","has coordinates,has Fobs","184734","2020-10-21","18:00:00",""
"2241803","18.1861","0.0002","7.1187","0.0001","35.707","0.0004","90","","100.448","0.001","90","","4546.03","0.1","123","2","123","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","[Tris(4,4-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate","","- C48 H42 N14 O5 -","- C48 H36 N14 O5 -","- C192 H144 N56 O20 -","4","0.5","HB7603","Setifi, Fatima; Valkonen, Arto; Setifi, Zouaoui; Nummelin, Sami; Touzani, Rachid; Glidewell, Christopher","Crystal structure of [tris(4,4'-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate","Acta Crystallographica Section E","2016","72","9","1246","1250","10.1107/S2056989016012160","","","0.71073","MoKα","","0.0572","0.049","","","0.1106","0.1148","","","","","","1.085","","","","has coordinates,has Fobs","184865","2020-10-21","18:00:00",""
"2242066","20.1864","0.0013","10.2997","0.0006","23.832","0.002","90","","108.004","0.003","90","","4712.4","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Dinitratobis[1,1,1-tris(hydroxymethyl)propane]terbium(III) nitrate dimethoxyethane hemisolvate","","- C14 H33 N3 O16 Tb -","- C14 H33 N3 O16 Tb -","- C112 H264 N24 O128 Tb8 -","8","1","HB7653","Gregório, Thaiane; Giese, Siddhartha O. K.; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Crystal structures of two mononuclear complexes of terbium(III) nitrate with the tripodal alcohol 1,1,1-tris(hydroxymethyl)propane","Acta Crystallographica Section E","2017","73","2","278","285","10.1107/S2056989017001116","","","0.71073","MoKα","","0.029","0.0182","","","0.0341","0.0358","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","193935","2020-10-21","18:00:00",""
"2242347","15.826","0.003","8.0772","0.0006","18.431","0.002","90","","111.83","0.016","90","","2187.1","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ethyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","","- C9 H11 N O2 S2 -","- C9 H11 N O2 S2 -","- C72 H88 N8 O16 S16 -","8","1","SU5404","Boukhedena, Wafia; Fiala, Abdelali; Brahim Ladouani, Hayet; Lemallem, Salah Eddine; Hamdouni, Noudjoud; Boudjada, Ali","Crystal structure of ethyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","Acta Crystallographica Section E","2018","74","1","65","68","10.1107/S2056989017017893","","","0.71073","MoKα","","0.0632","0.0488","","","0.1268","0.1376","","","","","","1.075","","","","has coordinates,has Fobs","205727","2020-10-21","18:00:00",""
"2242392","20.107","0.007","7.8939","0.0016","20.472","0.004","90","","102.651","0.002","90","","3170.5","1.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Aquatetrakis(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) dinitrate","","- C24 H42 Cu N10 O7 -","- C24 H42 Cu N10 O7 -","- C96 H168 Cu4 N40 O28 -","4","0.5","VM2208","Vincent, Collin J.; Giles, Ian D.; Deschamps, Jeffrey R.","Two Cu^II^ complexes of 3,4,5-trimethyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2018","74","3","357","362","10.1107/S2056989018002359","","","0.71073","MoKα","","0.069","0.0445","","","0.1209","0.1353","","","","","","0.906","","","","has coordinates,has Fobs","206531","2020-10-21","18:00:00",""
"2242734","9.6424","0.0002","11.4059","0.0003","21.6672","0.0005","90","","94.711","0.002","90","","2374.91","0.1","100","2","100","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Carboxine Form II","6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C96 H104 N8 O16 S8 -","8","1","","Frampton, Christopher S.; Frampton, Eleanor S.; Thomson, Paul A.","Two polymorphic forms of the oxathiin systemic fungicide active carboxine","Acta Crystallographica Section E","2018","74","12","1741","1745","10.1107/S2056989018015451","","","1.54178","CuKα","","0.0425","0.0402","","","0.1132","0.1159","","","","","","1.031","","","","has coordinates,has Fobs","211894","2020-10-21","18:00:00",""
"2243162","16.9368","0.0005","15.413","0.0004","18.4562","0.0006","90","","109.254","0.004","90","","4548.4","0.3","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-\ dihydroquinolin-1-yl}acetate","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C192 H192 N16 O48 -","8","1","LH5924","Filali Baba, Yassir; Hayani, Sonia; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry; Sebbar, Nada Kheira; Kandri Rodi, Youssef","Crystal structure, Hirshfeld surface analysis and DFT studies of ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetate","Acta Crystallographica Section E","2019","75","11","1753","1758","10.1107/S2056989019014154","","","1.54184","CuKα","","0.0634","0.0453","","","0.1303","0.1435","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","221287","2020-10-21","18:00:00",""
"2243289","12.837","0.0007","20.1241","0.0014","15.2568","0.0009","90","","110.871","0.006","90","","3682.7","0.4","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Diiodido{<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)-κ^3^<i>N</i>^2^,<i>N</i>^1^,<i>N</i>^6^}cadmium(II)","","- C36 H40 Cd I2 N6 -","- C36 H40 Cd I2 N6 -","- C144 H160 Cd4 I8 N24 -","4","0.5","XI2022","Tesouro Vallina, Ana; Stoeckli-Evans, Helen","The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)","Acta Crystallographica Section E","2020","76","3","410","416","10.1107/S2056989020001644","","","0.71073","MoKα","","0.0467","0.0289","","","0.0674","0.0715","","","","","","0.953","","","","has coordinates,has Fobs","248282","2020-10-21","18:00:00",""
"2243592","14.493","0.0007","8.8855","0.0003","26.6017","0.0011","90","","103.998","0.005","90","","3324","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}-1:2κ^4^<i>O</i>,<i>O</i>',\ <i>O</i>'':<i>O</i>;2:3κ^4^<i>O</i>:<i>O</i>,<i>O</i>',<i>O</i>''-\ bis(μ-3,5-dimethylpyrazolato)-1:2κ^2^<i>N</i>^1^:<i>N</i>^2^;\ 2:3<i>N</i>^1^:<i>N</i>^2^-tricopper(II) dibromide sesquihydrate","","- C22 H45 Br2 Cu3 N6 O7.5 -","- C22 H45 Br2 Cu3 N6 O7.5 -","- C88 H180 Br8 Cu12 N24 O30 -","4","0.5","DJ2014","Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Naumova, Dina D.; Partsevska, Sofiia V.; Shova, Sergiu; Safarmamadov, Safarmamad M.","Crystal structure of bis{μ-2-[bis(2-hydroxyethyl)amino]ethanolato}bis(μ-3,5-dimethylpyrazolato)tricopper(II) dibromide sesquihydrate","Acta Crystallographica Section E","2020","76","10","1641","1644","10.1107/S2056989020012323","","x-ray","0.71073","MoKα","","0.0513","0.0392","","","0.0976","0.1046","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","256385","2020-10-21","18:00:00",""
"2243906","6.7062","0.0003","14.119","0.0005","11.2074","0.0005","90","","97.14","0.004","90","","1052.94","0.08","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3-Fluoro-<i>N</i>-(3-fluoropyridine-2-carbonyl)pyridine-2-carboxamide","","- C12 H7 F2 N3 O2 -","- C12 H7 F2 N3 O2 -","- C48 H28 F8 N12 O8 -","4","0.5","VM2252","Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof","Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008562","","x-ray","1.54184","CuKα","","0.0712","0.0553","","","0.1447","0.1612","","","","","","1.039","","","","has coordinates","268201","2021-08-25","02:10:52",""
"2244065","19.6562","0.0014","7.5587","0.0003","26.4903","0.0016","90","","109.762","0.005","90","","3704","0.4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(<i>E</i>)-3-({6-[2-(4-Chlorophenyl)ethenyl]-3-oxo-2,3-dihydropyridazin-4-yl}methyl)pyridin-1-ium chloride dihydrate","","- C18 H19 Cl2 N3 O3 -","- C18 H19 Cl2 N3 O3 -","- C144 H152 Cl16 N24 O24 -","8","1","JQ2014","Daoui, Said; Çınar, Emine Berrin; Dege, Necmi; Benchat, Noureddine; Saif, Eiad; Karrouchi, Khalid","Crystal structure of (<i>E</i>)-3-({6-[2-(4-chlorophenyl)ethenyl]-3-oxo-2,3-dihydropyridazin-4-yl}methyl)pyridin-1-ium chloride dihydrate","Acta Crystallographica Section E","2022","78","4","458","462","10.1107/S2056989022003346","","","0.71073","MoKα","","0.0964","0.0499","","","0.121","0.1421","","","","","","0.982","","","","has coordinates,has Fobs","274190","2022-04-01","02:08:48",""
"2244149","18.6588","0.0002","5.4739","0.0001","35.5689","0.0005","90","","100.729","0.001","90","","3569.37","0.09","200","0.1","200","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4-(3-Methoxyphenyl)-2,6-diphenylpyridine","","- C24 H19 N O -","- C24 H19 N O -","- C192 H152 N8 O8 -","8","1","PK2666","Cheng, Dong; Meng, Xiang-Zhen; Tian, Fuyu; Yan, Dong; Wang, Xiaofei; Qian, Xueli; Wang, Junnan","Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine","Acta Crystallographica Section E","2022","78","9","","","10.1107/S2056989022007812","","x-ray","1.54184","CuKα","","0.0363","0.0343","","","0.0971","0.0988","","","","","","0.997","","","","has coordinates,has Fobs","277366","2022-08-24","01:30:34",""
"2300211","10.255","0.0002","6.6465","0.0002","12.3626","0.0004","90","","102.422","0.001","90","","822.91","0.04","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Lu2 O5 Si -","- Lu2 O5 Si -","- Lu16 O40 Si8 -","8","1","KO5080","Cong, Hengjiang; Zhang, Huaijin; Wang, Jiyang; Yu, Wentao; Fan, Jiandong; Cheng, Xiufeng; Sun, Shangqian; Zhang, Jian; Lu, Qingming; Jiang, Chunjian; Boughton, Robert I.","Structural and thermal properties of the monoclinic Lu~2~SiO~5~ single crystal: evaluation as a new laser matrix","Journal of Applied Crystallography","2009","42","2","284","294","10.1107/S0021889809004269","","","0.71073","MoKα","","0.0311","0.0295","","","0.0713","0.0722","","","","","","1.168","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310526","5.812","","15.18","","6.239","","90","","116.43","","90","","492.91","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ca (H P O4) (H2 O)2","","- Ca H5 O6 P -","- Ca H4 O6 P -","- Ca4 H16 O24 P4 -","4","0.5","","Beevers, C.A.","The crystal structure of dicalcium phosphate dihydrate, Ca H P O4 (H2 O)2","Acta Crystallographica (1,1948-23,1967)","1958","11","","273","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311277","18.6854","0.0013","10.7708","0.0008","25.599","0.003","90","","107.48","0.004","90","","4914.1","0.8","200","","200","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C21 H35 Cl N O2 P2 Re -","- C21 H35 Cl N O2 P2 Re -","- C168 H280 Cl8 N8 O16 P16 Re8 -","8","1","","Glatz, Mathias; Stöger, Berthold; Kirchner, Karl","Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP<sup>CH<sub>2</sub></sup>-iPr)(CO)<sub>2</sub>Cl].","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","941","949","10.1107/S205252061701006X","","x-ray","0.71075","MoKα","","0.105","0.0476","","","0.0477","0.0526","","","","2.03","2.03","1.71","","","","has coordinates","245749","2020-10-21","18:00:00",""
"2311285","20.6017","0.0014","6.1461","0.0004","25.9689","0.0016","90","","94.332","0.004","90","","3278.8","0.4","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3-Amino-1-(4-methoxyphenyl)-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","HG5445","Mohamed, Shaaban K.; Horton, Peter N.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R.","Crystal structure of 3-amino-1-(4-meth-oxy-phen-yl)-1H-benzo[f]chromene-2-carbo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 7","o468","9","10.1107/S2056989015011020","","","1.54178","CuKα","","0.0416","0.0409","","","0.1152","0.1161","","","","","","1.033","","","","has coordinates","245758","2020-10-21","18:00:00",""
"2311865","9.8935","0.0003","7.5844","0.0003","23.6669","0.0009","90","","97.866","0.003","90","","1759.17","0.11","200","1","200","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","strontium <i>p</i>-arsanilate trihydrate","<i>catena</i>-Poly[[triaquastrontium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']]","","- C12 H20 As2 N2 O9 Sr -","- C12 H20 As2 N2 O9 Sr -","- C48 H80 As8 N8 O36 Sr4 -","4","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.025","0.0219","","","0.0502","0.0511","","","","","","1.087","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311866","9.9997","0.0008","7.7305","0.0006","23.979","0.002","90","","98.214","0.007","90","","1834.6","0.3","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","barium <i>p</i>-arsanilate trihydrate","<i>catena</i>-Poly[[triaquabarium]-bis[μ~2~-hydrogen (4-aminophenyl)arsonato-κ^2^<i>O</i>:<i>O</i>']]","","- C12 H20 As2 Ba N2 O9 -","- C12 H20 As2 Ba N2 O9 -","- C48 H80 As8 Ba4 N8 O36 -","4","0.5","OV3082","Smith, Graham; Wermuth, Urs D.","The coordination complex structures and hydrogen bonding in the three-dimensional alkaline earth metal salts (Mg, Ca, Sr and Ba) of (4-aminophenyl)arsonic acid.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 1","61","67","10.1107/S2053229616019434","","","0.71073","MoKα","","0.0259","0.0228","","","0.054","0.0549","","","","","","1.096","","","","has coordinates","246145","2020-10-21","18:00:00",""
"2311879","26.778","0.005","7.4858","0.0015","12.472","0.003","90","","92.91","0.03","90","","2496.8","0.9","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Diaquabis[5-(4-methylphenyl)-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazolato-\ κ^2^<i>N</i>^1^,<i>N</i>^5^]nickel(II)","","- C28 H26 N8 Ni O2 -","- C28 H26 N8 Ni O2 -","- C112 H104 N32 Ni4 O8 -","4","0.5","LF3051","Liu, Feng Yi; Zhou, Dong Mei; Zhao, Xiao Lan; Kou, Jun Feng","Synthesis, crystal structures and luminescence properties of seven mononuclear zinc(II), cadmium(II), cobalt(II) and nickel(II) complexes with 5-(4-methylphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 5","382","392","10.1107/S2053229617004697","","","0.71073","MoKα","","0.0266","0.0241","","","0.0662","0.0673","","","","","","1.071","","","","has coordinates","246149","2020-10-21","18:00:00",""
"2312404","12.4307","0.0013","6.691","0.0006","10.7087","0.001","90","","107.506","0.003","90","","849.43","0.14","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Dicadmium orthophosphate hydroxide","","- Cd2 H O5 P -","- Cd2 O5 P -","- Cd16 O40 P8 -","8","1","TX2081","Eder, Felix; Weil, Matthias","Cadmium phosphates Cd<sub>2</sub>(PO<sub>4</sub>)OH and Cd<sub>5</sub>(PO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub> crystallizing in mineral structures.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","207","212","10.1107/S2056989024000793","","","0.71073","MoKα","","0.0847","0.0465","","","0.0852","0.0996","","","","","","1.033","","","","has coordinates","290315","2024-03-05","20:27:10",""
"2312433","6.0126","0.0001","6.9783","0.0002","34.941","0.0007","90","","93.359","0.002","90","","1463.53","0.06","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20 H13 K O4 -","- C20 H13 K O4 -","- C80 H52 K4 O16 -","4","0.5","AW5083","Osipov, Artyom A.; Nayfert, Sergey A.; Sobalev, Sergey A.; Rajakumar, Kanthapazham; Zherebtsov, Dmitry A.; Spiridonova, Dar'ya V.; Vinnik, Denis A.","Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2024","80","2","","","10.1107/S2052520624001318","","x-ray","1.54184","CuKα","","0.0265","0.0261","","","0.082","0.0823","","","","","","1.134","","","","has coordinates,has Fobs","290606","2024-03-23","03:02:09",""
"3000421","11.6482","0.0009","5.0003","0.0004","30.317","0.002","90","","96.865","0.008","90","","1753.1","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","","","","","- C9 H8 Li N O3 -","","","","","","Nikodem KUŹNIK; Kusz, Joachim; Książek, Maria","","To be published","","","","","","","","","1.54184","CuKα","","0.1278","0.075","","","0.1833","0.2193","","","","","","1.069","","","","","278910","2022-11-02","12:34:54","2023-04-02"
"3500071","7.4485","0.0006","6.1845","0.0005","13.4791","0.0013","90","","95.757","0.003","90","","617.79","0.09","150","","150","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C7 H3 N3 -","- C7 H3 N3 -","- C28 H12 N12 -","4","0.5","","Thierry Maris","","Personal communication to COD","2017","","","","","","","x-ray","1.34139","GaKα","","0.0527","0.0509","","","0.1375","0.1412","","","","","","1.085","","","","has coordinates,has Fobs","197527","2020-10-21","18:00:00",""
"4000112","17.1905","0.0009","16.242","0.0009","26.8593","0.0018","90","","91.593","0.002","90","","7496.4","0.8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H46 Cl2 Cu N6 O2 -","- C39 H42 Cl2 Cu N6 O2 -","- C312 H336 Cl16 Cu8 N48 O16 -","8","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm011235s","","","0.71073","MoKα","","0.1305","0.0788","","0.2415","0.2028","","","","1.021","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002267","10.311","","9.749","","10.225","","90","","90","","90","","1027.84","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","K (Al Ge O4) (H2 O)","","- Al Ge H2 K O5 -","- Al Ge K O5 -","- Al8 Ge8 K8 O40 -","8","1","","Tripathi, A.; Parise, J.B.; Kim, S.-J.; Johnson, G.M.; Lee, Y.-J.; Uh, Y.S.","Structural changes and cation site ordering in Na and K forms of aluminogermanates with the zeolite gismondine topology","Chemistry of Materials (1,1989-)","2000","12","","3760","3769","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002269","10.323","","9.754","","10.238","","90","","90.01","","90","","1030.87","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","K0.5 Na0.5 (Al Ge O4) (H2 O)","","- Al Ge H2 K0.5 Na0.5 O5 -","- Al Ge K0.5 Na0.5 O5 -","- Al8 Ge8 K4 Na4 O40 -","8","1","","Tripathi, A.; Parise, J.B.; Kim, S.-J.; Uh, Y.S.; Johnson, G.M.; Lee, Y.-J.","Structural changes and cation site ordering in Na and K forms of aluminogermanates with the zeolite gismondine topology","Chemistry of Materials (1,1989-)","2000","12","","3760","3769","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002395","7.8711","","31.9057","","7.8762","","90","","90.08","","90","","1977.97","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","La5.84 Mg4 Ta2 W2 O24","","- La5.84 Mg4 O24 Ta2 W2 -","- La5.84 Mg4 O24 Ta2 W2 -","- La23.36 Mg16 O96 Ta8 W8 -","4","0.5","","Khalyavin, D.D.; Lopes, A.B.; Mantas, P.Q.; Senos, A.M.R.","Crystal structure of La6 Mg4 Ta2 W2 O24 oxide: A representative of a novel A(3n) B'(2n) B''(2n) O(12n) homologous series with n = 2","Chemistry of Materials (1,1989-)","2007","18","","3843","3849","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4020294","17.2719","0.0009","7.3616","0.0004","17.7619","0.0009","90","","115.421","0.001","90","","2039.74","0.19","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 Cl2 N2 O2 -","- C22 H22 Cl2 N2 O2 -","- C88 H88 Cl8 N8 O8 -","4","0.5","","William W. Porter, III; Thomas P. Vaid","","Journal of Organic Chemistry","2005","70","","5028","5035","10.1021/jo050328g","","","","","","","","","","","","","","","","","","","","","has coordinates","178380","2020-10-21","18:00:00",""
"4021279","9.788","0.005","11.371","0.005","24.734","0.005","90","0.005","95.939","0.005","90","0.005","2738.1","1.9","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H12 Br2 O3 -","- C13 H18 Br2 O3 -","- C104 H144 Br16 O24 -","8","1","","Khan, Faiz Ahmed; Satapathy, Rashmirekha; Dash, Jyotirmayee; Savitha, G.","A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System","Journal of Organic Chemistry","2004","69","16","5295","5301","10.1021/jo049615v","","","","","","","","","","","","","","","","","","","","","has coordinates","210085","2020-10-21","18:00:00",""
"4021994","24.7067","0.0009","7.5782","0.0001","28.9751","0.0005","90","","101.974","0.003","90","","5307","0.2","190","2","190","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H17 F -","- C18 H17 F -","- C288 H272 F16 -","16","2","","Yi Wang; Jianjun Xu; Donald J. Burton","A Simple, Two-Step, Site-Specific Preparation of Fluorinated Naphthalene and Phenanthrene Derivatives from Fluorobromo-Substituted Alkenes","Journal of Organic Chemistry","2006","71","","7780","7784","10.1021/jo061305k","","","0.71073","MoKα","","0.0815","0.0466","","","0.1118","0.1291","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022222","15.57","0.01","15.58","0.01","24.91","0.01","90","","91.65","0.02","90","","6045","7","298","","298","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36 H25 F7 O2 -","- C36 H25 F7 O2 -","- C288 H200 F56 O16 -","8","1","","Anastasia Detsi; Maria Koufaki; Theodora Calogeropoulou","Synthesis of (Z)-4-Hydroxytamoxifen and (Z)-2-[4-[1-(p-Hydroxyphenyl)-2-phenyl]-1butenyl]phenoxyacetic Acid","Journal of Organic Chemistry","2002","67","","4608","4611","10.1021/jo0255328","","","0.71073","MoKα","","0.1009","0.0642","","0.2","0.1683","","","","1.064","1.16","1.16","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022400","11.3788","0.0004","14.1391","0.0006","28.7671","0.0014","90","","93.657","0.006","90","","4618.8","0.3","183","2","183","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24.5 H31 N2 O4.5 -","- C20 H19.85 N2 O4 -","- C160 H158.8 N16 O32 -","8","1","","Françisco M. Raymo; Silvia Giordani; Andrew J. P. White; David J. Williams","Digital Processing with a Three-State Molecular Switch","Journal of Organic Chemistry","2003","68","","4158","4169","10.1021/jo0340455","","","1.54178","CuKα","","0.075","0.0522","","0.1512","0.1384","","","","1.007","1.134","1.134","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022433","17.11","0.005","7.807","0.005","27.288","0.005","90","0.005","104.952","0.005","90","0.005","3522","3","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C152 H208 O40 -","8","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54184","CuKα","","0.1736","0.0666","","","0.183","0.2279","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023008","25.546","0.003","9.3143","0.0009","21.518","0.002","90","","106.528","0.002","90","","4908.6","0.8","193","2","193","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H32 N8 O2 -","- C22 H32 N8 O2 -","- C176 H256 N64 O16 -","8","1","","Joe B. Gilroy; Steve D. J. McKinnon; Pierre Kennepohl; Mark S. Zsombor; Michael J. Ferguson; Laurence K. Thompson; Robin G. Hicks","Probing Electronic Communication in Stable Benzene-Bridged Verdazyl Diradicals","Journal of Organic Chemistry","2007","72","","8062","8069","10.1021/jo7014449","","","0.71073","MoKα","","0.0608","0.0462","","","0.1245","0.1376","","","","","","1.037","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023591","14.0304","0.0009","14.6037","0.0009","25.6883","0.0016","90","","92.926","0.001","90","","5256.6","0.6","173","1","173","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H36 N12 O4.5 Ti -","- C20 H36 N12 O4.5 Ti -","- C160 H288 N96 O36 Ti8 -","8","1","","Tal Hermon; Edit Y. Tshuva","Synthesis and Conformational Analysis of Constrained Ethylene-Bridged Bis(hydroxylamino-1,3,5-triazine) Compounds as Tetradentate Ligands; Structure of Rigid Dinuclear Ti(IV) Complex","Journal of Organic Chemistry","2008","73","","5953","5958","10.1021/jo800966s","","","0.71073","MoKα","","0.0558","0.0505","","","0.114","0.117","","","","","","1.169","","","","has coordinates","271475","2021-12-16","11:44:09",""
"4023711","23.951","0.005","8.5113","0.0017","23.986","0.013","90","","91.92","0.03","90","","4887","3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","3-cyano-2-trimethylsilylphenylboronic acid","","- C10 H14 B N O2 Si -","- C10 H14 B N O2 Si -","- C160 H224 B16 N16 O32 Si16 -","16","2","","Sergiusz Luliński; Katarzyna Zajac","Selective Generation of Lithiated Benzonitriles: the Importance of Reaction Conditions","Journal of Organic Chemistry","2008","73","","7785","7788","10.1021/jo8013808","","","0.71073","MoKα","","0.0721","0.0678","","","0.1798","0.1826","","","","","","1.141","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4024260","22.677","0.007","8.009","0.002","22.944","0.007","90","","101.146","0.01","90","","4089","2","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H10 F8 Ge -","- C24 H10 F8 Ge -","- C192 H80 F64 Ge8 -","8","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.0571","0.0356","","","0.0756","0.082","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024722","13.0556","0.0008","17.6768","0.001","29.0774","0.0017","90","","94.934","0.001","90","","6685.7","0.7","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26.5 H30 Cl3 N2 O10 Os -","- C26.5 H30 Cl3 N2 O10 Os -","- C212 H240 Cl24 N16 O80 Os8 -","8","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0725","0.0508","","","0.1226","0.1259","","","","","","1.503","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025579","16.015","0.003","5.4583","0.0009","25.143","0.005","90","","99.848","0.002","90","","2165.5","0.7","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Anthony W. Hill; Mark R. J. Elsegood; Marc C. Kimber","An Intermolecular Hydroamination of Allenamides with Arylamines Catalyzed by Cationic Au(I) Salts","Journal of Organic Chemistry","2010","75","","5406","5409","10.1021/jo101035n","","","0.71073","MoKα","","0.0596","0.0428","","","0.1109","0.1211","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026332","19.1205","0.0012","33.057","0.002","19.4205","0.0012","90","","106.776","0.001","90","","11752.6","1.3","173","1","173","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C65.5 H78 Cl1.5 O6 -","- C65.5 H78 Cl1.5 O6 -","- C524 H624 Cl12 O48 -","8","1","","Lev Kuno; Silvio E. Biali","Calix[4]arenes with Two Different Chemical Modifications at the Bridges","Journal of Organic Chemistry","2011","76","","3664","3675","10.1021/jo200580m","","","0.71073","MoKα","","0.0966","0.0679","","","0.1783","0.1933","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027817","14.69","","9.1851","","20.285","","90","","93.17","","90","","2732.85","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(Hg6 As4) (Ag Cl3)2","","- Ag2 As4 Cl6 Hg6 -","- Ag2 As4 Cl6 Hg6 -","- Ag12 As24 Cl36 Hg36 -","6","0.75","","Olenev, A.V.; Shevelkov, A.V.; Dikarev, E.V.; Oleneva, O.S.","From Discrete to Extended Guests: Novel Supramolecular Assembly [Hg6As4](AgCl3)2 Featuring (AgCl32- Helical Anions.","European Journal of Inorganic Chemistry","2004","2004","","4006","4010","10.1002/ejic.200400205","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029384","45.341","0.003","6.3267","0.0004","19.1637","0.001","90","","94.165","0.003","90","","5482.8","0.6","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H38 N2 O -","- C34 H38 N2 O -","- C272 H304 N16 O8 -","8","1","","Hong, Fong-Jiao; Low, Yun-Yee; Chong, Kam-Weng; Thomas, Noel F.; Kam, Toh-Seok","Biomimetic oxidative dimerization of anodically generated stilbene radical cations: effect of aromatic substitution on product distribution and reaction pathways.","The Journal of organic chemistry","2014","79","10","4528","4543","10.1021/jo500559r","","","0.71073","MoKα","","0.191","0.0745","","","0.1423","0.1954","","","","","","0.966","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4030345","32.971","0.01","19.662","0.007","25.288","0.008","90","","95.73","0.02","90","","16312","9","","","173","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- H148 Mo36 Na8 O186 -","- Mo36 Na8 O184 -","- Mo144 Na32 O736 -","4","0.5","","Krebs, B.; Stiller, S.; Tytko, K. H.; Mehmke, J.","Structure and bonding in the high molecular weight isopolymolybdate ion, [Mo36O112(H2O)16]8-. The crystal structure of Na8[Mo36O112(H2O)16].58H2O","European Journal of Solid State and Inorganic Chemistry","1991","28","","883","903","","","x-ray","0.71069","MoKα","","","0.088","","","0.079","","","","","","","","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030968","22.0146","0.0015","6.9363","0.0003","24.0365","0.0015","90","","95.483","0.006","90","","3653.6","0.4","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C176 H152 N8 O32 -","8","1","","Yin, Haijing; Zhang, Buchang; Yu, Haizhu; Zhu, Lin; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang; Meng, Xiangming","Two-photon fluorescent probes for biological mg(2+) detection based on 7-substituted coumarin.","The Journal of organic chemistry","2015","80","9","4306","4312","10.1021/jo502775t","","","0.71073","MoKα","","0.0824","0.0499","","","0.1161","0.1368","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031011","13.9096","0.0007","14.1046","0.0007","21.077","0.001","90","","107.985","0.006","90","","3933","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(TTF2)(CuBr4)","(TTF2)(CuBr4)","","- C34 H28 Br4 Cu S8 -","- C34 H28 Br4 Cu S8 -","- C136 H112 Br16 Cu4 S32 -","4","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.1102","0.0494","","","0.0831","0.1037","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031502","11.411","","6.658","","13.058","","90","","90","","90","","992.074","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","B10 H8 (N2)2","","- B10 H8 N4 -","- B10 H8 N4 -","- B40 H32 N16 -","4","0.5","","Whelan, T.; Brint, P.; Spalding, T.R.; Lloyd, D.R.; McDonald, W.S.","Bonding in clusters. Part 5. The electronic, molecular, and crystal structure of 1,10- B10 H8 (N2)2. A combined theoretical, photoelectron and X-ray crystallographic study","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1982","1982","","2469","2473","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031609","8.8435","","11.8832","","8.8303","","90","","85.435","","90","","925.024","","","","","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- D I -","- D I -","- D16 I16 -","16","2","","Cockcroft, J.K.; Simon, A.; Borrmann, H.; Obermeyer, A.","The crystal structures of the low-temperature modifications of deuterium iodide - a neutron study","European Journal of Solid State Inorganic Chemistry","1988","25","","471","481","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4032174","17.3587","0.0013","5.2827","0.0004","26.4239","0.0015","90","","93.815","0.006","90","","2417.7","0.3","176","6","176","6","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C128 H80 N16 O16 -","8","1","","Liu, Xing-Xing; Luo, Xin-Liang; Wu, Zhao-Yang; Cui, Xin-Feng; Zhou, Xiao-Qiang; He, Yong-Qin; Huang, Guo-Sheng","Oxidative Recyclization of 1H-Indoles for Synthesis of 2-Indolylbenzoxazinones via Cleavage of the C2-C3 Bond with AIBN under Air.","The Journal of organic chemistry","2017","82","4","2107","2113","10.1021/acs.joc.6b02893","","x-ray","0.71073","MoKα","","0.0858","0.0543","","","0.1071","0.1309","","","","","","1.072","","","","has coordinates","193569","2020-10-21","18:00:00",""
"4032389","19.1282","0.0004","12.24","0.0002","25.3264","0.0005","90","","97.9603","0.0018","90","","5872.5","0.2","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C272 H256 N32 O32 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0556","0.048","","","0.1302","0.1401","","","","","","1.046","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032647","13.8956","0.0011","15.1725","0.001","18.2472","0.0009","90","","102.099","0.007","90","","3761.6","0.4","293.26","0.1","293.26","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C168 H120 N24 O8 -","8","1","","Cheng, Bin; Zu, Bing; Bao, Bian; Li, Yun; Wang, Renqi; Zhai, Hongbin","Synthesis of Spiro[indazole-3,3'-indolin]-2'-ones via [3 + 2] Dipolar Cycloaddition of Arynes with 3-Diazoindolin-2-ones and Indazolo[2,3-c]quinazolin-6(5H)-ones by Subsequent Thermal Isomerization.","The Journal of organic chemistry","2017","82","15","8228","8233","10.1021/acs.joc.7b00990","","x-ray","0.71073","MoKα","","0.1237","0.0714","","","0.1884","0.2182","","","","","","0.98","","","","has coordinates","200706","2020-10-21","18:00:00",""
"4032719","7.9578","0.0003","14.6936","0.0005","24.4705","0.001","90","","97.184","0.003","90","","2838.84","0.19","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H14 N O4 -","- C13 H14 N O4 -","- C104 H112 N8 O32 -","8","1","","Yu, Yunliang; Kuai, Changsheng; Chauvin, Remi; Tian, Nian; Ma, Shuangshuang; Cui, Xiuling","Rh-Catalyzed Regioselective ortho-C-H Carbenoid Insertion of Diarylazines.","The Journal of organic chemistry","2017","82","16","8611","8616","10.1021/acs.joc.7b01472","","x-ray","0.71073","MoKα","","0.087","0.0711","","","0.2092","0.2257","","","","","","1.074","","","","has coordinates,has disorder","200299","2020-10-21","18:00:00",""
"4032772","28.2486","0.0005","9.3345","0.0002","35.1839","0.0009","90","","103.793","0.0009","90","","9010","0.3","100","0.5","100","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C53 H33 B Cl6 F2 N2 -","- C53 H33 B Cl6 F2 N2 -","- C424 H264 B8 Cl48 F16 N16 -","8","1","","Zhao, Ning; Xuan, Sunting; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic and Cellular Properties of Near-IR [a]Phenanthrene-Fused 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacenes.","The Journal of organic chemistry","2017","82","18","9744","9750","10.1021/acs.joc.7b01940","","","0.71073","MoKα","","0.1056","0.0549","","","0.1227","0.1435","","","","","","1.018","","","","has coordinates","202738","2020-10-21","18:00:00",""
"4033718","10.9629","0.0007","21.9497","0.0012","11.2186","0.0007","90","","109.088","0.007","90","","2551.1","0.3","100","0.2","100","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H17 Fe N O -","- C16 H17 Fe N O -","- C128 H136 Fe8 N8 O8 -","8","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0563","0.0498","","","0.129","0.1362","","","","","","1.062","","","","has coordinates","222293","2020-10-21","18:00:00",""
"4033798","24.08","0.002","8.0155","0.0005","20.6822","0.0018","90","","117.408","0.011","90","","3543.8","0.6","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C48 H38 N4 O2 -","- C48 H38 N4 O2 -","- C192 H152 N16 O8 -","4","0.5","","Guy, Laure; Mosser, Maëlle; Pitrat, Delphine; Mulatier, Jean-Christophe; Kukułka, Mercedes; Srebro-Hooper, Monika; Jeanneau, Erwann; Bensalah-Ledoux, Amina; Baguenard, Bruno; Guy, Stéphan","Modulation of Chiroptical Properties in a Series of Helicene-like Compounds.","The Journal of organic chemistry","2019","84","17","10870","10876","10.1021/acs.joc.9b01465","","x-ray","1.54184","CuKα","","0.0505","0.0445","","","0.1192","0.1254","","","","","","1.022","","","","has coordinates","222373","2020-10-21","18:00:00",""
"4034468","10.566","0.0002","17.6181","0.0004","17.1644","0.0004","90","","99.086","0.002","90","","3155.11","0.12","100","0.13","100","0.13","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","1","","Mondal, Mukulesh; Panda, Manashi; McKee, Vickie; Kerrigan, Nessan J.","Asymmetric Synthesis of Tetrahydrofurans through Palladium(0)-Catalyzed [3 + 2]-Cycloaddition of Vinylcyclopropanes with Ketenes.","The Journal of organic chemistry","2019","84","18","11983","11991","10.1021/acs.joc.9b01854","","x-ray","1.54184","CuKα","","0.0615","0.0579","","","0.164","0.1679","","","","","","1.052","","","","has coordinates,has disorder","222986","2020-10-21","18:00:00",""
"4034755","24.0009","0.0011","8.5212","0.0004","31.56","0.002","90","","93.151","0.002","90","","6444.8","0.6","150","","150","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C34 H40 O13 -","- C34 H40 O13 -","- C272 H320 O104 -","8","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1295","0.0811","","","0.2113","0.2532","","","","","","1.031","","","","has coordinates,has disorder","226278","2020-10-21","18:00:00",""
"4034817","26.451","0.0009","7.526","0.0002","20.2835","0.0007","90","","99.598","0.003","90","","3981.3","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H20 N3 O8.5 S -","- C19 H20 N3 O8.5 S -","- C152 H160 N24 O68 S8 -","8","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0404","0.0339","","","0.079","0.0824","","","","","","1.057","","","","has coordinates,has disorder","226337","2020-10-21","18:00:00",""
"4035002","10.2333","0.0003","11.2199","0.0003","29.166","0.0008","90","","99.33","0.002","90","","3304.44","0.16","150.11","0.1","150.11","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H15 N O3 S -","- C20 H15 N O3 S -","- C160 H120 N8 O24 S8 -","8","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0526","0.0436","","","0.1233","0.1297","","","","","","1.049","","","","has coordinates,has disorder","226506","2020-10-21","18:00:00",""
"4035214","22.138","0.004","6.7644","0.0008","27.623","0.003","90","","99.718","0.002","90","","4077.2","1","296","2","296.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H22 Se2 Si2 -","- C16 H22 Se2 Si2 -","- C128 H176 Se16 Si16 -","8","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","","0.71073","MoKα","","0.0897","0.0392","","","0.0737","0.0911","","","","","","0.909","","","","has coordinates","226689","2020-10-21","18:00:00",""
"4035417","40.424","0.004","6.9876","0.0005","44.765","0.004","90","","110.991","0.01","90","","11805","2","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C40 H27 N3 -","- C40 H27 N3 -","- C640 H432 N48 -","16","2","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of meso-Tetraaryl Triphyrins(2.1.1).","The Journal of organic chemistry","2018","83","20","12945","12950","10.1021/acs.joc.8b02242","","x-ray","0.71073","MoKα","","0.1803","0.0912","","","0.199","0.2471","","","","","","1.035","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035536","15.0047","0.0002","12.1799","0.0002","21.4763","0.0003","90","","95.513","0.001","90","","3906.76","0.1","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","ON-892a","","- C30 H19 N -","- C30 H19 N -","- C240 H152 N8 -","8","1","","Ogawa, Naoki; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei","Synthesis and Properties of Tribenzocarbazoles via an Acid-Promoted Retro (2+2)-Cycloaddition of Azapropellanes.","The Journal of organic chemistry","2018","83","15","7994","8002","10.1021/acs.joc.8b00870","","x-ray","1.54184","CuKα","","0.0497","0.048","","","0.1358","0.1389","","","","","","1.043","","","","has coordinates","226984","2020-10-21","18:00:00",""
"4035617","18.8922","0.0006","6.28593","0.00019","32.1626","0.001","90","","96.756","0.003","90","","3792.9","0.2","293.6","0.2","293.6","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C184 H152 N8 O16 S8 -","8","1","","Qi, Zhenjie; Jiang, Yong; Wang, Yanyan; Yan, Rulong","tert-Butyl Nitrite Promoted Oxidative Intermolecular Sulfonamination of Alkynes to Synthesize Substituted Sulfonyl Pyrroles from the Alkynylamines and Sulfinic Acids.","The Journal of organic chemistry","2018","83","15","8636","8644","10.1021/acs.joc.8b00741","","","1.54184","CuKα","","0.0622","0.0525","","","0.1406","0.153","","","","","","1.086","","","","has coordinates","227066","2020-10-21","18:00:00",""
"4035966","18.795","0.004","6.7049","0.0008","43.048","0.008","90","","101.359","0.018","90","","5318.6","1.7","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H27 N3 O6 S -","- C27 H27 N3 O6 S -","- C216 H216 N24 O48 S8 -","8","1","","Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H","One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.","The Journal of organic chemistry","2019","84","2","934","948","10.1021/acs.joc.8b02878","","x-ray","0.71073","MoKα","","0.2989","0.1039","","","0.1348","0.1971","","","","","","1.013","","","","has coordinates","227359","2020-10-21","18:00:00",""
"4036809","23.798","0.003","7.4405","0.0009","37.885","0.003","90","","90.297","0.008","90","","6708.2","1.3","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H34 Fe2 P2 S6 -","- C32 H34 Fe2 P2 S6 -","- C256 H272 Fe16 P16 S48 -","8","1","","Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles.","The Journal of organic chemistry","2016","81","10","4210","4225","10.1021/acs.joc.6b00573","","","0.71075","MoKα","","","0.0697","","","","0.1735","","","","","","1.051","","","","has coordinates","235257","2020-10-21","18:00:00",""
"4037481","24.5382","0.0013","5.9207","0.0003","25.8385","0.0013","90","","104.266","0.006","90","","3638.1","0.3","173","0.1","173","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0718","0.0508","","","0.1077","0.1234","","","","","","1.066","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037796","16.7548","0.00016","7.45702","0.00007","27.245","0.0002","90","","104.133","0.001","90","","3300.98","0.05","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.046","0.043","","","0.1119","0.1158","","","","","","1.035","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037988","22.887","0.0008","5.21437","0.00015","29.1121","0.0008","90","","98.91","0.003","90","","3432.35","0.18","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C168 H152 N8 O24 -","8","1","","Arupula, Sanjeeva K.; Qureshi, Asif Ali; Swamy, K. C. Kumara","Lewis Base Switched [3+3] and [4+2] Annulation Reaction of δ-Acetoxy Allenoates with Cyclic N-Sulfonyl Imines: Divergent Synthesis of Functionalized α-Pyridyl Acetates and Teraryl Scaffolds.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03281","","","0.71073","MoKα","","0.0997","0.0592","","","0.1591","0.1916","","","","","","1.07","","","","has coordinates","248550","2020-10-21","18:00:00",""
"4038377","30.88","0.0003","7.96591","0.00007","29.4064","0.0003","90","","110.09","0.001","90","","6793.45","0.12","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H21.13 F9 N6 O9 P S3 -","- C26.999 H21.13 F9 N5.9995 O9 P S3 -","- C215.992 H169.04 F72 N47.996 O72 P8 S24 -","8","1","","Schoemaker, Robin; Schwedtmann, Kai; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weigand, Jan J.","Toward N,P-Doped π-Extended PAHs: A One-Pot Synthesis to Diannulated 1,4,2-Diazaphospholium Triflate Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00577","","x-ray","1.54184","CuKα","","0.071","0.0697","","","0.1846","0.1857","","","","","","1.043","","","","has coordinates,has disorder","252121","2020-10-21","18:00:00",""
"4038395","18.6894","0.0006","12.8738","0.0004","25.594","0.0008","90","","105.831","0.003","90","","5924.4","0.3","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 N3 Ni O2 P -","- C32 H28 N3 Ni O2 P -","- C256 H224 N24 Ni8 O16 P8 -","8","1","","Balamurugan, Gunasekaran; Ramesh, Rengan; Malecki, Jan Grzegorz","Nickel(II) - NɅNɅO Pincer Type Complexes Catalyzed N-alkylation of Amines with Alcohols via Hydrogen Auto Transfer Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00530","","x-ray","0.71073","MoKα","","0.063","0.0408","","","0.0932","0.1061","","","","","","1.047","","","","has coordinates","252184","2020-10-21","18:00:00",""
"4038396","18.6292","0.0011","12.8456","0.0008","25.5273","0.0014","90","","106.687","0.006","90","","5851.5","0.6","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H32 N3 Ni O2 P -","- C33 H32 N3 Ni O2 P -","- C264 H256 N24 Ni8 O16 P8 -","8","1","","Balamurugan, Gunasekaran; Ramesh, Rengan; Malecki, Jan Grzegorz","Nickel(II) - NɅNɅO Pincer Type Complexes Catalyzed N-alkylation of Amines with Alcohols via Hydrogen Auto Transfer Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00530","","x-ray","0.71073","MoKα","","0.0676","0.0452","","","0.1164","0.1299","","","","","","1.061","","","","has coordinates","252185","2020-10-21","18:00:00",""
"4038521","13.718","0.0018","8.7102","0.0009","25.568","0.003","90","","95.537","0.011","90","","3040.8","0.6","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C136 H128 O48 -","8","1","","Wang, Yu-Jiao; Wang, Tong-Tong; Yao, Lan; Wang, Qian-Long; Zhao, Li-Ming","Access to 4-Alkenylated Coumarins via Ruthenium-Catalyzed Olefinic C-H Alkenylation of Coumarins with Modifiable and Removable Directing Groups.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00249","","x-ray","0.71073","MoKα","","0.1072","0.0606","","","0.1252","0.1532","","","","","","1.013","","","","has coordinates","253425","2020-10-21","18:00:00",""
"4038557","11.7704","0.0004","15.69","0.0005","18.6268","0.0006","90","","105.599","0.001","90","","3313.25","0.19","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C14 H16 Cl F3 N O4 P -","- C14 H16 Cl F3 N O4 P -","- C112 H128 Cl8 F24 N8 O32 P8 -","8","1","","Mitrofanov, Alexander; Bychkova, Valentina A.; Nefedov, Sergey E.; Beletskaya, Irina P.","Selective Metal-Controlled Synthesis of Trifluoromethylated (Indolin-2-ylidene)methyl- and Quinolin-3-ylphosphonates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00913","","","0.71073","MoKα","","0.0895","0.0714","","","0.1991","0.2109","","","","","","1.072","","","","has coordinates,has disorder","254090","2020-10-21","18:00:00",""
"4038934","13.751","0.003","12.365","0.003","20.967","0.006","90","","104.142","0.009","90","","3457","1.5","120","","120","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H34 N2 O4 S3 -","- C44 H34 N2 O4 S3 -","- C176 H136 N8 O16 S12 -","4","0.5","","Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R.","Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c02174","","x-ray","0.71073","MoKα","","0.0701","0.0646","","","0.1422","0.1454","","","","","","1.15","","","","has coordinates,has disorder","259278","2020-11-29","00:09:08",""
"4060686","25.0333","0.0008","16.3725","0.0006","27.4177","0.0015","90","","90.829","0.001","90","","11236.2","0.8","293","2","293","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C30 H78 Cl Li N3 O3 Si6 Yb -","- C30 H78 Cl Li N3 O3 Si6 Yb -","- C240 H624 Cl8 Li8 N24 O24 Si48 Yb8 -","8","1","","Toshiyuki Oshiki","Preparation, Structural Characterization, and Reactions of Tantalum-Alkyne Complexes","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060807","24.715","0.005","13.2501","0.0019","34.527","0.007","90","","97.68","0.02","90","","11205","3","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","trans-[Bromo(bis(bis(diphenylphosphino)ethane)(η^1^penta methylcyclopentadienylgermylidyne)molybdenum(0)","","","- C64.5 H69 Br Ge Mo P4 -","- C64.5 H69 Br Ge Mo P4 -","- C516 H552 Br8 Ge8 Mo8 P32 -","8","1","","Filippou, Alexander C.; Portius, Peter; Philippopoulos, Athanassios I.","Molybdenum and Tungsten Germylyne Complexes of the general formula trans-[X(dppe)~2~M≡Ge-(η^1^-Cp^*^)] (X = Cl, Br, I; dppe = Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular Structures and Bonding Features of the Germylyne Ligand","Organometallics","2002","","","","","10.1021/om010785x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060808","24.664","0.004","13.346","0.0016","34.453","0.005","90","","97.322","0.018","90","","11248","3","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","trans-[Chloro(bis(bis(diphenylphosphino)ethane)(η^1^penta methylcyclopentadienylgermylidyne)molybdenum(0)","","","- C64.5 H69 Cl Ge Mo P4 -","- C64.5 H69 Cl Ge Mo P4 -","- C516 H552 Cl8 Ge8 Mo8 P32 -","8","1","","Filippou, Alexander C.; Portius, Peter; Philippopoulos, Athanassios I.","Molybdenum and Tungsten Germylyne Complexes of the general formula trans-[X(dppe)~2~M≡Ge-(η^1^-Cp^*^)] (X = Cl, Br, I; dppe = Ph~2~PCH~2~CH~2~PPh~2~; Cp^*^ = C~5~Me~5~); Syntheses, Molecular Structures and Bonding Features of the Germylyne Ligand","Organometallics","2002","","","","","10.1021/om010785x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4061214","21.2278","0.0004","9.8455","0.0002","21.7664","0.0004","90","","100.37","0.001","90","","4474.83","0.15","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C76 H108 Br4 Fe2 N20 O4 S4 -","- C76 H108 Br4 Fe2 N20 O4 S4 -","- C152 H216 Br8 Fe4 N40 O8 S8 -","2","0.25","","","","Organometallics","2004","","","","","10.1021/om049246t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178509","2020-10-21","18:00:00",""
"4061301","21.587","0.005","8.979","0.005","26.183","0.005","90","","104.844","0.005","90","","4906","3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H22 Cl2 N P Pd -","- C25 H22 Cl2 N P Pd -","- C200 H176 Cl16 N8 P8 Pd8 -","8","1","","Leca, François; Lescop, Christophe; Toupet, Loïc; Réau, Régis","A New Family of P,N-Chelates: Stereoselective Synthesis of 2-Pyridyl-2-phospholenes in the Coordination Sphere of Pd(II)-Complexes.","Organometallics","2004","23","26","6191","6201","10.1021/om049510i","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4061604","18.6315","0.0012","9.6162","0.0005","19.3704","0.0012","90","","99.633","0.006","90","","3421.6","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H18 Fe Mn O2 P -","- C19 H18 Fe Mn O2 P -","- C152 H144 Fe8 Mn8 O16 P8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050412m","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4061605","18.8039","0.001","9.5428","0.0005","19.6102","0.0009","90","","99.243","0.005","90","","3473.2","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H18 Fe O2 P Re -","- C19 H18 Fe O2 P Re -","- C152 H144 Fe8 O16 P8 Re8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050412m","","","","","","","","","","","","","","","","","","","","","has coordinates","178513","2020-10-21","18:00:00",""
"4062279","35.59","0.03","11.096","0.01","25.75","0.02","90","0.001","96.492","0.017","90","0.001","10104","15","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H74 F2 Li O2 P Si2 -","- C47 H74 F2 Li O2 P Si2 -","- C376 H592 F16 Li8 O16 P8 Si16 -","8","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","192077","2020-10-21","18:00:00",""
"4062401","18.8574","0.001","17.4958","0.0009","14.0506","0.0007","90","","97.5269","0.0011","90","","4595.7","0.4","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C53 H70 Li2 P2 Rh2 -","- C53 H70 Li2 P2 Rh2 -","- C212 H280 Li8 P8 Rh8 -","4","0.5","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178520","2020-10-21","18:00:00",""
"4062507","23.097","0.002","14.5217","0.0012","28.715","0.004","90","","94.639","0.001","90","","9599.7","1.7","150","2","150","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C94 H118 B2 Cl12 F8 O5 P4 Rh2 -","- C84 H96 B2 F8 O4 P4 Rh2 -","- C336 H384 B8 F32 O16 P16 Rh8 -","4","0.5","","Holliday, Bradley J.; Ulmann, Pirmin A.; Mirkin, Chad A.; Stern, Charlotte L.; Zakharov, Lev N.; Rheingold, Arnold L.","A Systematic Study of the Role of Ligand Structure in the Formation of Homobinuclear Rhodium Macrocycles Formed via the Weak-Link Approach","Organometallics","2004","","","","","10.1021/om030611a","","","","","","","","","","","","","","","","","","","","","has coordinates","178521","2020-10-21","18:00:00",""
"4062576","17.622","0.003","8.535","0.002","18.667","0.003","90","","106.32","0.02","90","","2694.5","0.9","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H32 O12 Rh2 S2 -","- C18 H32 O12 Rh2 S2 -","- C72 H128 O48 Rh8 S8 -","4","0.5","","Basato, Marino; Biffis, Andrea; Martinati, Gianluca; Zecca, Marco; Ganis, Paolo; Benetollo, Franco; Aronica, Laura A.; Caporusso, Anna M.","Cationic Carboxylato Complexes of Dirhodium(II) with Oxo Thioethers: Promising Catalysts with Unusual Coordination Modes","Organometallics","2004","23","8","1947","1952","10.1021/om0342560","","","","","","","","","","","","","","","","","","","","","has coordinates","209899","2020-10-21","18:00:00",""
"4062773","24.601","0.004","13.466","0.003","34.549","0.005","90","","97.563","0.018","90","","11346","3","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66.5 H67 Ge N P4 W -","- C66.5 H67 Ge N P4 W -","- C532 H536 Ge8 N8 P32 W8 -","8","1","","Filippou, Alexander C.; Philippopoulos, Athanassios I.; Portius, Peter; Schnakenburg, Gregor","","Organometallics","2004","","","","","10.1021/om049625m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4062796","20.919","0.004","10.106","0.002","40.156","0.008","90","","97.01","0.03","90","","8426","3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C50 H53 O2 P2 Rh -","- C50 H53 O2 P2 Rh -","- C400 H424 O16 P16 Rh8 -","8","1","","Krug, Christopher; Hartwig, John F.","Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions","Organometallics","2004","23","20","4594","4607","10.1021/om0496582","","","","","","","","","","","","","","","","","","","","","has coordinates","219033","2020-10-21","18:00:00",""
"4062934","22.0029","0.0006","24.9608","0.0006","33.2717","0.0012","90","","97.202","0.001","90","","18129","0.9","293","2","293","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C40 H44 Cu2 F4 Fe2 O4 P2 S4 -","- C40 H44 Cu2 F4 Fe2 O4 P2 S4 -","- C640 H704 Cu32 F64 Fe32 O64 P32 S64 -","16","2","","","","Organometallics","2004","","","","","10.1021/om049775x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178525","2020-10-21","18:00:00",""
"4063209","20.834","0.011","12.455","0.007","25.752","0.02","90","","97.09","0.02","90","","6631.2","7.4","299","2","299","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H31 Fe O3 Rh -","- C38 H31 Fe O3 Rh -","- C304 H248 Fe8 O24 Rh8 -","8","1","","Hari K. Gupta; Nicole Rampersad; Mark Stradiotto; Michael J. McGlinchey","Rhodium Acetylacetonate and Iron Tricarbonyl Complexes of Tetracyclone and 3-Ferrocenyl-2,4,5-triphenylcyclopentadienone: An X-ray Crystallographic and NMR Study","Organometallics","2000","19","","184","191","10.1021/om990559b","","","0.71073","MoKα","","0.094","0.0478","","0.1123","0.0997","","","","0.913","1.079","1.079","","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4064435","18.424","0.002","14.331","0.002","27.579","0.004","90","","109.228","0.005","90","","6875.6","1.6","100","2","100","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C32.25 H38.5 Cl4.5 N2 O Ru2 -","- C32.25 H38.5 Cl4.5 N2 O Ru2 -","- C258 H308 Cl36 N16 O8 Ru16 -","8","1","","Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis and Catalytic Evaluation in Olefin Metathesis of a Second-Generation Homobimetallic Ruthenium‒Arene Complex Bearing a Vinylidene Ligand","Organometallics","2011","30","10","2730","","10.1021/om2001074","","x-ray","0.7107","MoKα","","0.1272","0.0649","","","0.147","0.182","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4064976","18.1126","0.0014","10.0116","0.0007","41.749","0.003","90","","93.3068","0.0017","90","","7558","1","223.1","","223","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H46 Cl2 N2 P2 Ru -","- C42 H46 Cl2 N2 P2 Ru -","- C336 H368 Cl16 N16 P16 Ru8 -","8","1","","Schley, Nathan D.; Dobereiner, Graham E.; Crabtree, Robert H.","Oxidative Synthesis of Amides and Pyrroles via Dehydrogenative Alcohol Oxidation by Ruthenium Diphosphine Diamine Complexes","Organometallics","2011","30","15","4174","","10.1021/om2004755","","","0.71075","MoKα","","","0.0691","","","","0.1314","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065284","25.295","0.002","12.8976","0.0007","29.254","0.003","90","","112.843","0.01","90","","8795.5","1.4","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C51 H39 Cl5 Os P2 -","- C51 H39 Cl5 Os P2 -","- C408 H312 Cl40 Os8 P16 -","8","1","","Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen","Hydrolysis of Osmium and Ruthenium Carbyne Complexes","Organometallics","2011","30","22","6159","","10.1021/om200685v","","","0.71073","MoKα","","0.1037","0.0565","","","0.0737","0.0809","","","","","","1.008","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4066161","23.2373","0.0018","17.7035","0.0014","21.5073","0.0017","90","","108.206","0.009","90","","8404.8","1.2","123","2","123","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C50 H142 Cr2 K2 N10 Si10 -","- C50 H142 Cr2 K2 N10 Si10 -","- C200 H568 Cr8 K8 N40 Si40 -","4","0.5","","Carrella, Luca M.; Förster, Christoph; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Rentschler, Eva","Synthesis and Structure of a Potassium Potassiochromate: A Bis-Chromium(II) Molecule Held Together by Near-Square-Planar Potassium−Ligand Bridges†","Organometallics","2010","29","21","4756","","10.1021/om100327w","","","0.71073","MoKα","","0.146","0.057","","","0.0917","0.1112","","","","","","0.895","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066531","20.66","0.0002","10.6445","0.0001","34.0135","0.0004","90","","102.777","0.001","90","","7294.87","0.13","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45 H43 Cl Os P2 -","- C45 H43 Cl Os P2 -","- C360 H344 Cl8 Os8 P16 -","8","1","","Tse, Sunny Kai San; Bai, Wei; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen","Substituted Cyclopentadienyl Osmium Complexes from the Reactions of OsH3Cl(PPh3)3with Fulvenes and Cyclopentadienes","Organometallics","2010","29","16","3571","","10.1021/om1005066","","","1.54178","CuKα","","0.0499","0.0367","","","0.0806","0.0837","","","","","","1.001","","","","has coordinates,has disorder","178557","2020-10-21","18:00:00",""
"4066709","10.868","0.003","16.494","0.004","16.664","0.004","90","","93.66","0.02","90","","2981","1.3","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H30 Cl F6 N4 P Pd2 -","- C28 H30 Cl F6 N4 P Pd2 -","- C112 H120 Cl4 F24 N16 P4 Pd8 -","4","0.5","","D’Amora, Angela; Fanfoni, Lidia; Cozzula, Daniela; Guidolin, Nicol; Zangrando, Ennio; Felluga, Fulvia; Gladiali, Serafino; Benedetti, Fabio; Milani, Barbara","Addressing the Poly- to Oligo-ketone Selectivity in Styrene Carbonylation Catalyzed by Palladium/bpy Complexes. Effect of the 6-Alkyl Substitution","Organometallics","2010","29","20","4472","","10.1021/om100585x","","","1","synchrotron","","0.0681","0.0621","","","0.1652","0.1717","","","","","","1.098","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066943","12.9165","0.0017","26.63","0.003","18.979","0.004","90","","94.48","0.003","90","","6508.2","1.8","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C66 H68 O4 Zr2 -","- C66 H68 O4 Zr2 -","- C264 H272 O16 Zr8 -","4","0.5","","Kuppuswamy, Subramaniam; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Activation of an Aryl C−H Bond Converts Chelating Diphenolate Ligands Bound to Zirconium into Trianionic Pincer Ligands: σ-Donor Ligand Effects versus Thermolysis","Organometallics","2010","29","24","6711","","10.1021/om100732d","","","0.71073","MoKα","","0.0862","0.0501","","","0.1033","0.1106","","","","","","0.906","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4067273","25.0687","0.0018","27.979","0.002","25.2421","0.0019","90","","118.513","0.001","90","","15557","2","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C156 H228 Mn2 N2 -","- C156 H228.5 Mn2 N2 -","- C624 H914 Mn8 N8 -","4","0.5","","Ni, Chengbao; Fettinger, James C.; Power, Philip P.","Intramolecular C−H Activation by Putative Terminal Two-Coordinate Manganese(III) Imido Intermediates: Hydrogen Abstraction from a Phenyl Group","Organometallics","2010","29","1","269","","10.1021/om9007136","","","0.71073","MoKα","","0.1267","0.0803","","","0.2557","0.2866","","","","","","1.077","","","","has coordinates,has disorder","178563","2020-10-21","18:00:00",""
"4067674","14.642","0.003","10.676","0.002","20.021","0.004","90","","92.61","0.03","90","","3126.4","1.1","293","1","293","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H26 N2 O8 Pd2 -","- C36 H26 N2 O8 Pd2 -","- C144 H104 N8 O32 Pd8 -","4","0.5","","Roiban, Gheorghe-Doru; Serrano, Elena; Soler, Tatiana; Contel, Maria; Grosu, Ion; Cativiela, Carlos; Urriolabeitia, Esteban P.","Ortho-Palladation of (Z)-2-Aryl-4-Arylidene-5(4H)-Oxazolones. Structure and Functionalization","Organometallics","2010","29","6","1428","","10.1021/om901068f","","","0.71073","MoKα","","0.0213","0.0203","","","0.0537","0.0542","","","","","","1.042","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4067784","16.8995","0.0004","9.7167","0.0003","20.6494","0.0005","90","","90.286","0.002","90","","3390.74","0.16","180","2","180","2","","","","","","","synthesis as described","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H12 Fe S2 -","- C23 H12 Fe S2 -","- C184 H96 Fe8 S16 -","8","1","","Rose-Munch, Françoise; Li, Ming; Rose, Eric; Daran, Jean Claude; Bossi, Alberto; Licandro, Emanuela; Mussini, Patrizia Romana","Tetrathia[7]helicene-Based Complexes of Ferrocene and (η5-Cyclohexadienyl)tricarbonylmanganese: Synthesis and Electrochemical Studies","Organometallics","2012","31","1","92","","10.1021/om200571a","","","0.71073","MoKα","","0.0703","0.0367","","","0.1004","0.1177","","","","","","1.017","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4068167","19.25","0.003","12.261","0.0016","24.132","0.003","90","","108.004","0.009","90","","5416.8","1.3","223","","223","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C60 H82 N4 Ni2 -","- C60 H82 N4 Ni2 -","- C240 H328 N16 Ni8 -","4","0.5","","Hruszkewycz, Damian P.; Wu, Jianguo; Green, Jennifer C.; Hazari, Nilay; Schmeier, Timothy J.","Mechanistic Studies of the Insertion of CO2into Palladium(I) Bridging Allyl Dimers","Organometallics","2012","31","1","470","","10.1021/om201163k","","","0.71075","MoKα","","","0.0851","","","","0.176","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068638","16.9892","0.0005","13.3623","0.0003","54.955","0.003","90","","95.187","0.004","90","","12424.5","0.8","200","2","200","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C65.54 H58.09 Cl6.09 N2 P4 Pd Ru -","- C64 H55 Cl3 N2 P4 Pd Ru -","- C512 H440 Cl24 N16 P32 Pd8 Ru8 -","8","1","","Koutsantonis, George A.; Jenkins, Gareth I.; Schauer, Phil A.; Szczepaniak, Barbara; Skelton, Brian W.; Tan, Colin; White, Allan H.","Coordinating Tectons: Bipyridyl-Terminated Group 8 Alkynyl Complexes","Organometallics","2009","28","7","2195","","10.1021/om800992p","","","1.54184","CuKα","","0.0939","0.0798","","","0.2125","0.2245","","","","","","1.047","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068891","24.0034","0.0013","17.3322","0.0005","20.4685","0.0007","90","","104.162","0.004","90","","8256.7","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C102 H98 Ag2 B2 N10 -","- C102 H98 Ag2 B2 N10 -","- C408 H392 Ag8 B8 N40 -","4","0.5","","Brown, David H.; Nealon, Gareth L.; Simpson, Peter V.; Skelton, Brian W.; Wang, Zhisen","Silver and Palladium Complexes of a Bis(benzimidazolin-2-ylidene)pyridine Pincer Ligand","Organometallics","2009","28","6","1965","","10.1021/om801144m","","","0.71073","MoKα","","0.0624","0.0377","","","0.0928","0.1006","","","","","","0.957","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4069171","19.795","0.002","19.114","0.002","21.176","0.002","90","","102.14","0.01","90","","7833","1.4","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","tetrakis(trimethylphosphine)iridium tetraphenylborate tetrahydrofurane hemisolvate","","- C38 H60 B Ir O0.5 P4 -","- C38 H60 B Ir O0.5 P4 -","- C304 H480 B8 Ir8 O4 P32 -","8","1","","Crestani, Marco G.; Steffen, Andreas; Kenwright, Alan M.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Oxidative Addition of X−H (X = C, N, O) Bonds to [Ir(PMe3)4]Cl and Catalytic Hydration of Acetonitrile Using its Peroxo Derivative, [Ir(O2)(PMe3)4]Cl, as Catalyst Precursor","Organometallics","2009","28","9","2904","","10.1021/om9000633","","","0.71073","MoKα","","0.043","0.0268","","","0.0563","0.0615","","","","","","1.066","","","","has coordinates,has disorder","178580","2020-10-21","18:00:00",""
"4069538","23.0841","0.001","6.9214","0.0003","23.5613","0.0012","90","","112.317","0.006","90","","3482.5","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","4b","","","- C32 H16 Br6 N4 O2 Ru -","- C32 H16 Br6 N4 O2 Ru -","- C128 H64 Br24 N16 O8 Ru4 -","4","0.5","","Leung, Chi-Fai; Ng, Siu-Mui; Xiang, Jing; Wong, Wai-Yeung; Lam, Michael Hon-Wah; Ko, Chi-Chiu; Lau, Tai-Chu","Synthesis and Photophysical Properties of Ruthenium(II) Isocyanide Complexes Containing 8-Quinolinolate Ligands","Organometallics","2009","28","19","5709","","10.1021/om900253h","","","1.54178","CuKα","","0.0697","0.0647","","","0.1728","0.178","","","","","","1.018","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4069555","15.844","0.003","8.5836","0.0017","18.715","0.004","90","","94.205","0.004","90","","2538.4","0.9","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H25 Br2 Fe N3 S -","- C26 H24 Br2 Fe N3 S -","- C104 H96 Br8 Fe4 N12 S4 -","4","0.5","","Tenza, Kenny; Hanton, Martin J.; Slawin, Alexandra M. Z.","Ethylene Oligomerization Using First-Row Transition Metal Complexes Featuring Heterocyclic Variants of Bis(imino)pyridine Ligands","Organometallics","2009","28","16","4852","","10.1021/om900280j","","","0.71073","MoKα","","0.0293","0.0273","","","0.0718","0.074","","","","","","0.938","","","","has coordinates,has disorder","178584","2020-10-21","18:00:00",""
"4069660","12.953","0.0006","10.0259","0.0005","13.5302","0.0006","90","","114.142","0.001","90","","1603.42","0.13","123","2","123","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H28 Mg2 O2 -","- C12 H28 Mg2 O2 -","- C48 H112 Mg8 O8 -","4","0.5","","Michel, Olaf; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner","Alkaline-Earth Metal Alkylaluminate Chemistry Revisited","Organometallics","2009","28","16","4783","","10.1021/om900342h","","","0.71073","MoKα","","0.0544","0.0495","","","0.1462","0.1504","","","","","","1.14","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4070962","18.514","0.001","8.132","0.001","23.124","0.006","90","","91.58","0.01","90","","3480.1","1","130","","130","","","","","","","","by syntheses","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H48 Cl2 Fe2 N6 Si2 -","- C28 H48 Cl2 Fe2 N6 Si2 -","- C112 H192 Cl8 Fe8 N24 Si8 -","4","0.5","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Paramagnetic Amino-amidinate Iron(II) Complexes:19F NMR Evidence for Interactions with Weakly Coordinating Anions","Organometallics","2008","27","9","2058","","10.1021/om701155b","","","0.71073","MoKα","","0.069","0.0514","","","0.107","0.1128","","","","","","1.073","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4071014","15.867","0.005","15.22","0.005","21.709","0.007","90","","93.565","0.006","90","","5232","3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H23 Cl4 F2 Fe N3 -","- C24 H23 Cl4 F2 Fe N3 -","- C192 H184 Cl32 F16 Fe8 N24 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Bobik Fones, Barbara; Fish, Brian M.; Schiffhauer, Matthew F.; Spence, Rupert E.; Xie, Tuyu","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Cobalt(II) Tridentate Bis(imino)pyridine Complexes with a Double Pattern of Substitution:o-Methyl pluso-Fluorine in the Same Imino Arm†","Organometallics","2008","27","6","1147","","10.1021/om701204w","","","0.71073","MoKα","","0.0975","0.0587","","","0.1416","0.1661","","","","","","1.04","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071023","20.306","0.003","12.791","0.002","30.984","0.004","90","","90.238","0.019","90","","8048","2","180","2","180","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C37.75 H46.5 Cl3.5 N P2 Ru -","- C37 H45 Cl2 N P2 Ru -","- C296 H360 Cl16 N8 P16 Ru8 -","8","1","","Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy","New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation","Organometallics","2008","27","6","1193","","10.1021/om7012106","","x-ray","0.71073","MoKα","","0.0381","0.0302","","","0.077","0.0793","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071027","26.3678","0.0008","15.4778","0.0006","23.088","0.0008","90","","116.328","0.002","90","","8445.2","0.5","120","1","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C94 H110 N2 Ni O8 P4 -","- C94 H110 N2 Ni O8 P4 -","- C376 H440 N8 Ni4 O32 P16 -","4","0.5","","Lavanant, Laurent; Rodrigues, Anne-Sophie; Kirillov, Evgueni; Carpentier, Jean-François; Jordan, Richard F.","Synthesis, Structures, Dynamics, and Ethylene Polymerization Activity of Nickel Complexes Containing anortho-Methoxy-aryl Diphosphine Ligand","Organometallics","2008","27","9","2107","","10.1021/om701215s","","","0.71073","MoKα","","0.1037","0.0606","","","0.1387","0.1632","","","","","","1.046","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4072025","38.65","0.009","11.962","0.003","39.259","0.015","90","","92.036","0.003","90","","18139","9","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C45 H65 P3 S4 -","- C45 H65 P3 S4 -","- C720 H1040 P48 S64 -","16","2","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N.","Dual Supermesityl Stabilization: 1-Alkyl-1H-[1,2,4]triphospholes, with Among the Most Planar and Least Sterically Hindered σ3,λ3-Phosphorus Atoms, and Novel C2P3S4Folded Heterocycles†","Organometallics","2008","27","19","5118","","10.1021/om800528g","","","0.71073","MoKα","","0.1982","0.1844","","","0.422","0.4252","","","","","","2.83","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072570","16.5313","0.0019","11.2567","0.0018","17.275","0.007","90","","99.65","0.02","90","","3169.2","1.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H20 Au Cl N2 O -","- C15 H20 Au Cl N2 O -","- C120 H160 Au8 Cl8 N16 O8 -","8","1","","Ray, Lipika; Shaikh, Mobin M.; Ghosh, Prasenjit","Palladium(II) and Gold(I) Complexes of a New O-Functionalized N-Heterocyclic Carbene Ligand: Synthesis, Structures, and Catalytic Application","Organometallics","2007","26","4","958","","10.1021/om060834b","","","0.71073","MoKα","","0.0199","0.0172","","","0.0422","0.0429","","","","","","1.084","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072692","14.3813","0.0014","10.8029","0.0008","14.5861","0.0012","90","","100.679","0.013","90","","2226.8","0.3","140","2","140","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H24 Cl4 N6 Pd -","- C16 H24 Cl4 N6 Pd -","- C64 H96 Cl16 N24 Pd4 -","4","0.5","","Fei, Zhaofu; Zhao, Dongbin; Pieraccini, Daniela; Ang, Wee Han; Geldbach, Tilmann J.; Scopelliti, Rosario; Chiappe, Cinzia; Dyson, Paul J.","Development of Nitrile-Functionalized Ionic Liquids for C−C Coupling Reactions: Implication of Carbene and Nanoparticle Catalysts","Organometallics","2007","26","7","1588","","10.1021/om060950e","","","0.71073","MoKα","","0.0322","0.0219","","","0.0474","0.0494","","","","","","0.985","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4073074","12.128","0.002","31.999","0.009","12.13","0.002","90","0.018","98.012","0.015","90","0.002","4661.5","1.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Cobalt(II) Mesitylglyoxime Pyridine","trans-bis(dimesitylglyoximato)-(pyridine)-cobalt(II)","","- C50 H56 Co N6 O4 -","- C50 H56 Co N6 O4 -","- C200 H224 Co4 N24 O16 -","4","0.5","","Mandal, Debaprasad; Bhuyan, Mouchumi; Laskar, Moitree; Gupta, B. D.","Co−C Bond Homolysis: Reactivity Difference between Alkyl- and Benzylcobaloximes","Organometallics","2007","26","11","2795","","10.1021/om070053q","","","0.71073","MoKα","","0.126","0.0621","","","0.1599","0.1731","","","","","","1.018","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073186","12.534","0.002","14.6996","0.0012","13.079","0.003","90","","102.279","0.008","90","","2354.6","0.7","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C7 H19 B Na O P -","- C7 H19 B Na O P -","- C56 H152 B8 Na8 O8 P8 -","8","1","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Metalation of Trimethylphosphine−Borane. Unexpected Reactivity of a Simple Phosphine−Borane-Stabilized Carbanion toward Siloxanes","Organometallics","2007","26","11","2861","","10.1021/om070150j","","","0.71073","MoKα","","0.0588","0.0388","","","0.1018","0.1147","","","","","","1.119","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073603","18.364","0.014","8.892","0.007","22.191","0.016","90","","115.099","0.008","90","","3281","4","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","07041I","","","- C30 H26 F6 N4 O8 Pd2 S2 -","- C30 H26 F6 N4 O8 Pd2 S2 -","- C120 H104 F24 N16 O32 Pd8 S8 -","4","0.5","","Conley, Nicholas R.; Labios, Liezel A.; Pearson, David M.; McCrory, Charles C. L.; Waymouth, Robert M.","Aerobic Alcohol Oxidation with Cationic Palladium Complexes: Insights into Catalyst Design and Decomposition","Organometallics","2007","26","23","5447","","10.1021/om700492n","","","0.71073","MoKα","","0.059","0.056","","","0.1409","0.143","","","","","","1.005","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073666","24.287","0.003","13.5739","0.0012","34.451","0.01","90","","95.559","0.01","90","","11304","4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C126 H110 Fe O6 P4 Ru2 S2 -","- C118 H90 Fe O4 P4 Ru2 S2 -","- C472 H360 Fe4 O16 P16 Ru8 S8 -","4","0.5","","Cowley, Andrew R.; Hector, Andrew L.; Hill, Anthony F.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Synthesis and Reactions of Five-Coordinate Mono- and Binuclear Thiocarbonyl−Alkenyl and Thioacyl Complexes of Ruthenium(II)","Organometallics","2007","26","25","6114","","10.1021/om700518m","","","1.54178","CuKα","","0.1172","0.0746","","","0.1862","0.2096","","","","","","0.956","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073885","19.369","0.004","12.15","0.002","27.89","0.006","90","","103.74","0.03","90","","6376","2","150","1","150","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H34 Cl4 N P Pd -","- C33 H34 Cl4 N P Pd -","- C264 H272 Cl32 N8 P8 Pd8 -","8","1","","Aguilar, David; Aznárez, Francisco; Bielsa, Raquel; Falvello, Larry R.; Navarro, Rafael; Urriolabeitia, Esteban P.","Versatility of Iminophosphoranes and Noninnocent Behavior of the 1,5-Cyclooctadiene Ligand in Palladium(II) Complexes. Synthesis of σ-Allyl Derivatives","Organometallics","2007","26","25","6397","","10.1021/om700707j","","","0.71073","MoKα","","0.0609","0.0403","","","0.1088","0.1149","","","","","","1.064","","","","has coordinates,has disorder","178627","2020-10-21","18:00:00",""
"4076001","42.1994","0.0018","8.4552","0.0004","37.1949","0.0016","90","","115.834","0.0007","90","","11945","0.9","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C33 H38 Cr N2 O2.5 -","- C33 H38 Cr N2 O2.5 -","- C528 H608 Cr16 N32 O40 -","16","2","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0562","0.0482","","","0.1329","0.1396","","","","","","1.04","","","","has coordinates,has disorder","178649","2020-10-21","18:00:00",""
"4076228","18.584","0.0006","7.9942","0.0003","32.5174","0.001","90","","101.994","0.001","90","","4725.5","0.3","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H36 F6 P2 Ru -","- C22 H36 F6 P2 Ru -","- C176 H288 F48 P16 Ru8 -","8","1","","Umezawa-Vizzini, Kayo; Lee, T. Randall","Reversible Olefin−Hydride Insertion in the Cationic Ruthenium Complexes [(η6-C6H5CH2CH2PR2)RuH(CH2CH2)]+","Organometallics","2004","23","6","1448","","10.1021/om0301987","","","0.71073","MoKα","","0.0284","0.0204","","","0.0524","0.0749","","","","","","1.39","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076427","17.5797","0.0011","23.6325","0.0015","26.428","0.0017","90","","95.2753","0.0009","90","","10933.1","1.2","193","2","193","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C57.5 H47 Cl F3 Ir O7 P4 Ru S -","- C57.5 H47 Cl F3 Ir O7 P4 Ru S -","- C460 H376 Cl8 F24 Ir8 O56 P32 Ru8 S8 -","8","1","","MacDougall, Tiffany J.; Samant, Rahul G.; Trepanier, Steven J.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Geminal Carbon‒Hydrogen Bond Activation in Cumulenes Promoted by Adjacent Iridium/Ruthenium Centers","Organometallics","2012","31","5","1857","","10.1021/om201201h","","","0.71073","MoKα","","0.0439","0.0303","","","0.0771","0.0911","","","","","","1.122","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076509","19.862","0.0014","8.3618","0.0002","27.6873","0.0018","90","","95.56","0.003","90","","4576.7","0.5","291","2","291","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H54 Br2 N6 O -","- C48 H54 Br2 N6 O -","- C192 H216 Br8 N24 O4 -","4","0.5","","Makhloufi, Abdelaziz; Frank, Walter; Ganter, Christian","Diamino- and Mixed Amino‒Amido-N-Heterocyclic Carbenes Based on Triazine Backbones","Organometallics","2012","31","5","2001","","10.1021/om201275z","","","0.71073","MoKα","","0.0871","0.0635","","","0.0982","0.1026","","","","","","1.395","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076842","42.754","0.005","10.2403","0.0012","23.59","0.003","90","","90.455","0.002","90","","10328","2","193","2","193","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C55 H46 B F4 O4 P4 Rh Ru -","- C55 H46 B F4 O4 P4 Rh Ru -","- C440 H368 B8 F32 O32 P32 Rh8 Ru8 -","8","1","","Rowsell, Bryan D.; Trepanier, Steven J.; Lam, Robert; McDonald, Robert; Cowie, Martin","Methylene-Bridged Complexes of Rhodium/Ruthenium as Models for Bimetallic Fischer−Tropsch Catalysts: Comparisons with the Rh/Os and Ir/Ru Analogues","Organometallics","2002","21","15","3228","","10.1021/om020118j","","","0.71073","MoKα","","0.0601","0.0415","","","0.0972","0.1051","","","","","","1.01","","","","has coordinates,has disorder","178657","2020-10-21","18:00:00",""
"4077256","20.412","0.014","10.276","0.006","19.489","0.014","90","","96.104","0.018","90","","4065","5","193","2","193","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C39 H55 N2 Na O2 P2 Si2 -","- C39 H55 N2 Na O2 P2 Si2 -","- C156 H220 N8 Na4 O8 P8 Si8 -","4","0.5","","Kamalesh Babu, Ruppa P.; Aparna, Kasani; McDonald, Robert; Cavell, Ronald G.","Monomeric Alkali Metal (Li, Na, K) Complexes of Bis(iminophosphorano)methanides","Organometallics","2001","20","7","1451","","10.1021/om000982g","","","0.71073","MoKα","","0.1375","0.0593","","","0.1317","0.1587","","","","","","0.904","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077439","26.353","0.003","9.7122","0.0007","43.792","0.005","90","","94.792","0.013","90","","11169","2","180","2","180","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C45.5 H78 F6 N3 O6.5 P2 Ru S2 -","- C45.5 H78 F6 N3 O6.5 P2 Ru S2 -","- C364 H624 F48 N24 O52 P16 Ru8 S16 -","8","1","","Chaumonnot, Alexandra; Donnadieu, Bruno; Sabo-Etienne, Sylviane; Chaudret, Bruno; Buron, Christophe; Bertrand, Guy; Metivier, Pascal","Ruthenium Carbene Complexes Containing a Triazolidene Cationic Ligand","Organometallics","2001","20","26","5614","","10.1021/om010699x","","","0.71073","MoKα","","0.0841","0.0714","","","0.1989","0.2133","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077492","14.356","0.001","14.888","0.001","19.76","0.002","90","","99","0.01","90","","4171.4","0.6","193","2","193","2","","","","","","","synthesis","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H62 Li2 N2 O4 -","- C42 H62 Li2 N2 O4 -","- C168 H248 Li8 N8 O16 -","4","0.5","","Nückel, Stefan; Burger, Peter","Transition Metal Complexes with Sterically Demanding Ligands. 2.1Meisenheimer Complex Formation and Deprotonation Reactions of a Sterically Demanding Aromatic Diimine†","Organometallics","2000","19","17","3305","","10.1021/om000084k","","","0.71073","MoKα","","0.0895","0.0631","","0.1657","0.1551","","","","1.068","1.268","1.268","","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077510","21.787","0.004","8.178","0.002","32.205","0.006","90","","97.23","0.03","90","","5692","2","153","2","153","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C26 H27 Br3 Hg1.5 O2 P Pt -","- C26 H27 Br3 Hg1.5 O2 P Pt -","- C208 H216 Br24 Hg12 O16 P8 Pt8 -","8","1","","Ara, Irene; Falvello, Larry R.; Forniés, Juan; Sicilia, Violeta; Villarroya, Pablo","Reactivity of [M(C∧P)(acac-O,O‘)] [M = Pt, Pd; C∧P = CH2-C6H4-P(o-tolyl)2-κC,P; acac = 2,4-pentanedionato] toward HgX2(X = Br, I, CH3COO, CF3COO). New Polynuclear Complexes Containing Pt−Hg Bonds. Molecular Structures of [{Pt(C∧P)(acac-O,O‘)- HgBr(μ-Br)}2(μ-HgBr2)], an Unprecedented Square-Planar Bromomercurate Complex, and [{Pt(C∧P)(μ-O2CCH3)2Hg(μ3-acac2‒κC3,O)Hg(O2CCH3-κO)}· CHCl3]2, the First Complex Containing Asymmetric Dimercurated Acetylacetone","Organometallics","2000","19","16","3091","","10.1021/om000223y","","","0.71073","MoKα","","0.1058","0.0494","","0.1388","0.1157","","","","1.021","1.118","1.118","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077798","18.807","0.002","18.927","0.002","21.214","0.002","90","","97.18","0.016","90","","7492.1","1.4","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","[η^2^-bis(trimethylsilyl)ethyne]-bis[η^5^(1-trimethylsilyl-2,3,4,5- tetramethyl-cyclopentadienyl)]-titanium(II)","","- C32 H60 Si4 Ti -","- C32 H60 Si4 Ti -","- C256 H480 Si32 Ti8 -","8","1","","Horáček, Michal; Kupfer, Volkmar; Thewalt, Ulf; Štěpnička, Petr; Polášek, Miroslav; Mach, Karel","Bis[η5-tetramethyl(trimethylsilyl)cyclopentadienyl]titanium(II) and Its π-Complexes with Bis(trimethylsilyl)acetylene and Ethylene","Organometallics","1999","18","18","3572","","10.1021/om990286k","","","0.71073","MoKα","","0.1143","0.0472","","","0.0924","0.1063","","","","","","0.73","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077911","44.765","0.003","7.8085","0.0003","21.6181","0.0013","90","","93.833","0.005","90","","7539.6","0.7","140","1","140","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C8 H24 Au2 F12 S4 Sb2 -","- C8 H24 Au2 F12 S4 Sb2 -","- C96 H288 Au24 F144 S48 Sb24 -","12","1.5","","Savjani, Nicky; Bew, Sean P.; Hughes, David L.; Lancaster, Simon J.; Bochmann, Manfred","Reactivity of “Ligand-Free” Au+: C‒H and C‒C Activation versus π Coordination","Organometallics","2012","31","7","2534","","10.1021/om201035v","","","0.71073","Mo-Kα","","0.1544","0.086","","","0.1318","0.1521","","","","","","1.013","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4078668","20.6418","0.0009","10.9486","0.0005","20.9305","0.0009","90","","92.867","0.001","90","","4724.3","0.4","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C49 H54 Ir O4 P2 Rh Si3 -","- C49 H54 Ir O4 P2 Rh Si3 -","- C196 H216 Ir4 O16 P8 Rh4 Si12 -","4","0.5","","Mobarok, Md Hosnay; Ferguson, Michael J.; Cowie, Martin","Multiple Si‒H Bond Activations in a Bis(diethylphosphino)methane-Bridged Complex of Rhodium and Iridium: Synthesis of an Unusual Bis(silyl)/μ-Silylene Complex","Organometallics","2012","31","13","4722","","10.1021/om300283k","","","0.71073","MoKα","","0.0197","0.0171","","","0.0415","0.0434","","","","","","1.032","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4079309","22.474","0.0014","11.8708","0.0004","23.1806","0.0008","90","","92.239","0.001","90","","6179.5","0.5","200","2","200","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C68 H74 Li2 O8 P4 -","- C68 H74 Li2 O8 P4 -","- C272 H296 Li8 O32 P16 -","4","0.5","","Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob","Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity","Organometallics","2012","31","17","6438","","10.1021/om300673u","","","0.71073","MoKα","","0.0922","0.0545","","","0.1385","0.1618","","","","","","1.012","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4080815","16.1335","0.0019","11.5894","0.0007","16.415","0.003","90","","100.304","0.018","90","","3019.7","0.7","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","dibromido-bis(1,4,7,10,13-pentaoxacyclohexadec-15-ylmethyl)-stannane","","- C24 H46 Br2 O10 Sn -","- C24 H46 Br2 O10 Sn -","- C96 H184 Br8 O40 Sn4 -","4","0.5","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0368","0.0239","","","0.0495","0.0505","","","","","","0.922","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080816","15.948","0.004","11.4212","0.0006","16.389","0.002","90","","100.19","0.02","90","","2938.1","0.9","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","dichlorido-bis(1,4,7,10,13-pentaoxacyclohexadec-15-ylmethyl)-stannane","","- C24 H46 Cl2 O10 Sn -","- C24 H46 Cl2 O10 Sn -","- C96 H184 Cl8 O40 Sn4 -","4","0.5","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0376","0.0238","","","0.0352","0.036","","","","","","0.81","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080817","14.586","0.006","12.2579","0.0013","16.169","0.004","90","","102.09","0.04","90","","2826.8","1.5","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","difluorido-bis(1,4,7,10,13-pentaoxacyclohexadec-15-ylmethyl)-stannane","","- C24 H46 F2 O10 Sn -","- C24 H46 F2 O10 Sn -","- C96 H184 F8 O40 Sn4 -","4","0.5","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0546","0.0329","","","0.0297","0.0305","","","","","","0.807","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080818","14.02","0.005","11.6934","0.0007","17.38","0.003","90","","101.2","0.04","90","","2795","1.2","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","diiodido-bis(1,4,7,10-tetraoxacylcotridec-12-ylmethyl)stannane","","- C20 H38 I2 O8 Sn -","- C20 H38 I2 O8 Sn -","- C80 H152 I8 O32 Sn4 -","4","0.5","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0377","0.0258","","","0.0535","0.0551","","","","","","0.913","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080819","13.743","0.003","11.334","0.002","17.683","0.004","90","","97.82","0.03","90","","2728.7","1","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","dibromido-bis(1,4,7,10-tetraoxacylcotridec-12-ylmethyl)stannane","","- C20 H20 Br2 O8 Sn -","- C20 H38 Br1.87 O8 Sn1.115 -","- C80 H152 Br7.48 O32 Sn4.46 -","4","0.5","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0492","0.042","","","0.143","0.1482","","","","","","1.122","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4081047","25.455","0.005","16.5463","0.0018","29.806","0.003","90","","115.22","0.002","90","","11357","3","153","2","153","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C54 H37 B F24 N2 O Pt -","- C54 H37 B F24 N2 O Pt -","- C432 H296 B8 F192 N16 O8 Pt8 -","8","1","","McKeown, Bradley A.; Gonzalez, Hector Emanuel; Michaelos, Thoe; Gunnoe, T. Brent; Cundari, Thomas R.; Crabtree, Robert H.; Sabat, Michal","Control of Olefin Hydroarylation Catalysis via a Sterically and Electronically Flexible Platinum(II) Catalyst Scaffold","Organometallics","2013","32","14","3903","","10.1021/om400390e","","","0.71073","MoKα","","0.0621","0.0468","","","0.1339","0.1493","","","","","","1.042","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081374","26.039","0.005","15.445","0.003","26.79","0.005","90","","100.79","0.03","90","","10584","4","193","2","193","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C113 H99 Ag2 Au2 Cl2 N3 O12 P6 -","- C113 H99 Ag2 Au2 Cl2 N3 O12 P6 -","- C452 H396 Ag8 Au8 Cl8 N12 O48 P24 -","4","0.5","","Jiang, Yi; Wang, Yong-Tao; Ma, Zheng-Gen; Li, Zhi-Hong; Wei, Qiao-Hua; Chen, Guo-Nan","New Luminescent Ag2Au2Heteronuclear Alkynyl‒Phosphine Complexes and Recognition of Homocysteine and Cysteine","Organometallics","2013","32","17","4919","","10.1021/om400646p","","","0.71073","synchrotron","","0.0235","0.0218","","","0.0575","0.0581","","","","","","1.066","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081922","15.1391","0.0002","15.5045","0.0003","31.8334","0.0005","90","","98.9181","0.0016","90","","7381.7","0.2","200","0.1","200","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","str1516","","- C59 H88 Cl12 Ir4 N8 -","- C59 H88 Cl12 Ir4 N8 -","- C236 H352 Cl48 Ir16 N32 -","4","0.5","","Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo","A Tetracyclic Bis(imidazolindiylidene) Ligand and Its Diiridium and Dipalladium Complexes","Organometallics","2013","32","21","6445","","10.1021/om400779w","","","0.7107","MoKα","","0.0644","0.05","","","0.1242","0.1376","","","","","","1.037","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4083776","17.7045","0.0013","17.6048","0.0013","17.7357","0.0013","90","","100.713","0.005","90","","5431.6","0.7","172","2","172","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C44 H80 B2 Fe I2 Li2 N8 O4 -","- C44 H80 B2 Fe I2 Li2 N8 O4 -","- C176 H320 B8 Fe4 I8 Li8 N32 O16 -","4","0.5","","Lee, Wei-Tsung; Jeon, Ie-Rang; Xu, Song; Dickie, Diane A.; Smith, Jeremy M.","Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand","Organometallics","2014","33","20","5654","","10.1021/om500417y","","","0.71073","MoKα","","0.0463","0.0333","","","0.0713","0.0774","","","","","","1.013","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4083888","13.3275","0.0012","7.9823","0.0006","41.362","0.004","90","","97.754","0.003","90","","4360","0.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H26 Au Cl N2 Se -","- C21 H26 Au Cl N2 Se -","- C168 H208 Au8 Cl8 N16 Se8 -","8","1","","Nelson, David J.; Nahra, Fady; Patrick, Scott R.; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Exploring the Coordination of Cyclic Selenoureas to Gold(I)","Organometallics","2014","","","140702161847002","","10.1021/om500610w","","","0.71075","MoKα","","","0.0164","","","","0.0424","","","","","","1.01","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4084006","17.3318","0.0008","14.6278","0.0006","28.754","0.0015","90","","105.182","0.005","90","","7035.5","0.6","110","1","110","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C42 H45 Cr N2 -","- C35 H37 Cr N2 -","- C280 H296 Cr8 N16 -","8","1","","Ronellenfitsch, Mathias; Wadepohl, Hubert; Enders, Markus","Chromium Aryl Complexes with N-Donor Ligands as Catalyst Precursors for Selective Ethylene Trimerization","Organometallics","2014","33","20","5758","","10.1021/om500459k","","x-ray","0.71073","MoKα","","0.1196","0.071","","","0.1866","0.2127","","","","","","1.046","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084764","16.4824","0.0004","8.1061","0.0002","39.8669","0.0011","90","","100.262","0.001","90","","5241.3","0.2","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C31 H34 Cl N Ti -","- C31 H34 Cl N Ti -","- C248 H272 Cl8 N8 Ti8 -","8","1","","Loose, Florian; Plettenberg, Inka; Haase, Detlev; Saak, Wolfgang; Schmidtmann, Marc; Schäfer, André; Müller, Thomas; Beckhaus, Rüdiger","Aromatic Imines in the Titanocene Coordination Sphere—Titanaaziridine vs 1-Aza-2-titanacyclopent-4-ene Structures","Organometallics","2014","33","23","6785","","10.1021/om500750y","","","0.71073","MoKα","","0.061","0.0377","","","0.0888","0.0995","","","","","","1.02","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084994","19.9825","0.0015","5.9251","0.0004","21.5944","0.0012","90","","93.703","0.006","90","","2551.4","0.3","183","2","183","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 O7 Re -","- C12 H9 O7 Re -","- C96 H72 O56 Re8 -","8","1","","Ursillo, Samer; Can, Daniel; N’Dongo, Harmel W. Peindy; Schmutz, Paul; Spingler, Bernhard; Alberto, Roger","Cyclopentadienyl Chemistry in Water: Synthesis and Properties of Bifunctionalized [(η5-C5H3{COOR}2)M(CO)3] (M = Re and99mTc) Complexes","Organometallics","2014","33","23","6945","","10.1021/om501029e","","","0.7107","MoKα","","0.0551","0.0368","","","0.0837","0.0886","","","","","","1.003","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4085067","15.3438","0.0011","19.525","0.0014","19.6769","0.0014","90","","92.122","0.005","90","","5890.9","0.7","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Compound 4.C6H6","","","- C60 H78 Au2 N4 O2 -","- C60 H74 Au2.04 N4 O2 -","- C240 H296 Au8.16 N16 O8 -","4","0.5","","Roşca, Dragoş-Adrian; Fernandez-Cestau, Julio; Hughes, David L.; Bochmann, Manfred","Reactivity of Gold Hydrides: O2 Insertion into the Au-H Bond.","Organometallics","2015","34","11","2098","2101","10.1021/om501165z","","","0.71075","Mo-Kα","","0.0775","0.076","","","0.1764","0.1768","","","","","","1.288","","","","has coordinates,has disorder","178739","2020-10-21","18:00:00",""
"4085147","21.2127","0.0007","8.8364","0.0002","27.3229","0.0009","90","","106.562","0.003","90","","4909","0.3","100","0.2","100","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H23 O8 Re -","- C26 H23 O8 Re -","- C208 H184 O64 Re8 -","8","1","","Lin, Ran; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Rhenabenzenes and Unexpected Coupling Products from the Reactions of Rhenacyclobutadienes with Ethoxyethyne","Organometallics","2015","34","1","167","","10.1021/om501034e","","x-ray","1.5418","CuKα","","0.0371","0.0314","","","0.0811","0.0844","","","","","","1.002","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085189","21.8965","0.0005","17.9869","0.0005","31.6196","0.001","90","","98.962","0.003","90","","12301.4","0.6","173","","173","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C67.5 H64 Cl3 N O5 P2 Ru S2 -","- C67.5 H64 Cl3 N O5 P2 Ru S2 -","- C540 H512 Cl24 N8 O40 P16 Ru8 S16 -","8","1","","Toscani, Anita; Heliövaara, Eeva K.; Hena, Jubeda B.; White, Andrew J. P.; Wilton-Ely, James D. E. T.","Multimetallic Alkenyl Complexes Bearing Macrocyclic Dithiocarbamate Ligands","Organometallics","2015","34","2","494","","10.1021/om5011269","","","1.54184","CuKα","","0.0506","0.0405","","","0.1054","0.1131","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085280","16.1604","0.0001","13.9634","0.0001","27.1193","0.0002","90","","100.184","0.001","90","","6023.17","0.07","183","0.1","183","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(μ^2^-1,3-Benzenediethynyl)-tetrakis(ethane-1,2-diylbis(diethylphosphine))-diiodo-diiron","","- C50 H100 Fe2 I2 P8 -","- C50 H100 Fe2 I2 P8 -","- C200 H400 Fe8 I8 P32 -","4","0.5","","Lissel, Franziska; Blacque, Olivier; Venkatesan, Koushik; Berke, Heinz","Structural and Electronic Variations of sp/sp2Carbon-Based Bridges in Di- and Trinuclear Redox-Active Iron Complexes Bearing Fe(diphosphine)2X (X = I, NCS) Moieties","Organometallics","2015","34","2","408","","10.1021/om500602m","","","0.7107","MoKα","","0.0263","0.0235","","","0.0602","0.0625","","","","","","1.076","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4085322","19.7597","0.0013","11.8025","0.0002","24.259","0.003","90","","108.371","0.007","90","","5369.2","0.8","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C29 H38 Cl0.5 N2.5 Pd -","- C29 H38 Cl0.5 N2.5 Pd -","- C232 H304 Cl4 N20 Pd8 -","8","1","","Hruszkewycz, Damian P.; Guard, Louise M.; Balcells, David; Feldman, Nicola; Hazari, Nilay; Tilset, Mats","Effect of 2-Substituents on Allyl-Supported Precatalysts for the Suzuki‒Miyaura Reaction: Relating Catalytic Efficiency to the Stability of Palladium(I) Bridging Allyl Dimers","Organometallics","2015","34","1","381","","10.1021/om501250y","","","0.71075","MoKα","","0.1055","0.097","","","0.2202","0.2239","","","","","","1.29","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4085437","16.3217","0.0008","14.7125","0.0004","22.5707","0.0012","90","","98.785","0.01","90","","5356.4","0.4","123","2","123","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C52 H96 Al2 Fe Li2 N2 O2 -","- C52 H96 Al2 Fe Li2 N2 O2 -","- C208 H384 Al8 Fe4 Li8 N8 O8 -","4","0.5","","Clegg, William; Crosbie, Elaine; Dale-Black, Sophie H.; Hevia, Eva; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.","Structurally Defined Zincated and Aluminated Complexes of Ferrocene Made by Alkali-Metal Synergistic Syntheses","Organometallics","2015","34","11","2580","","10.1021/om5012352","","","0.71073","MoKα","","0.0376","0.0299","","","0.0847","0.0864","","","","","","1.103","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085532","17.6901","0.0006","11.7401","0.0003","23.2316","0.001","90","","104.191","0.004","90","","4677.6","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 Cl2 N2 Zn -","- C26 H20 Cl2 N2 Zn -","- C208 H160 Cl16 N16 Zn8 -","8","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","1.54184","CuKα","","0.0603","0.0508","","","0.14","0.1508","","","","","","1.054","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085921","25.7267","0.0017","17.4831","0.0008","24.6865","0.0016","90","","109.256","0.007","90","","10482.4","1.2","104","4","104","4","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C100 H96 B2 F48 Fe O9 -","- C100 H96 B2 F48 Fe O9 -","- C400 H384 B8 F192 Fe4 O36 -","4","0.5","","Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg","Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application","Organometallics","2015","34","12","3079","","10.1021/acs.organomet.5b00395","","","0.71073","MoKα","","0.1436","0.0995","","","0.2428","0.277","","","","","","1.039","","","","has coordinates,has disorder","141379","2020-10-21","18:00:00",""
"4086028","27.0831","0.0012","9.1351","0.0004","29.5853","0.0013","90","","100.023","0.004","90","","7207.9","0.6","170","2","170","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H52.13 Cl0.87 N5 O Pt -","- C37 H52.127 Cl0.873 N5 O Pt -","- C296 H417.016 Cl6.984 N40 O8 Pt8 -","8","1","","Seyboldt, Alexander; Wucher, Barbara; Hohnstein, Silvia; Eichele, Klaus; Rominger, Frank; Törnroos, Karl W.; Kunz, Doris","Evidence for the Formation of Anionic Zerovalent Group 10 Complexes as Highly Reactive Intermediates","Organometallics","2015","34","12","2717","","10.1021/om500836m","","","0.71073","MoKα","","0.0505","0.0386","","","0.0943","0.1025","","","","","","1.124","","","","has coordinates,has disorder","140040","2020-10-21","18:00:00",""
"4086439","21.5627","0.0006","12.9662","0.0004","19.8892","0.0007","90","","103.413","0.004","90","","5409.1","0.3","291","2","291","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H37 O4 P Pd S2 -","- C25 H37 O4 P Pd S2 -","- C200 H296 O32 P8 Pd8 S16 -","8","1","","Wu, Zixia; Chen, Min; Chen, Changle","Ethylene Polymerization and Copolymerization by Palladium and Nickel Catalysts Containing Naphthalene-Bridged Phosphine‒Sulfonate Ligands","Organometallics","2016","35","10","1472","","10.1021/acs.organomet.6b00076","","","1.54184","CuKα","","0.0812","0.0698","","","0.1904","0.206","","","","","","1.045","","","","has coordinates","183595","2020-10-21","18:00:00",""
"4086448","17.151","0.003","15.554","0.002","28.094","0.004","90","","103.916","0.003","90","","7274.6","1.9","100","2","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H57 Cl2 N P2 Pt -","- C34 H57 Cl2 N P2 Pt -","- C272 H456 Cl16 N8 P16 Pt8 -","8","1","","Magnuson, Kevin W.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Gembicky, Milan; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","Streamlined Preparation and Coordination Chemistry of Hybrid Phosphine‒Phosphaalkene Ligands","Organometallics","2016","35","6","855","859","10.1021/acs.organomet.6b00101","","","0.71073","MoKα","","0.0771","0.0553","","","0.1285","0.1388","","","","","","1.112","","","","has coordinates,has disorder","181379","2020-10-21","18:00:00",""
"4086716","35.107","0.003","14.1275","0.0002","40.221","0.005","90","","104.697","0.008","90","","19296","3","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C74 H112 N2 Ni2 P4 Si2 -","- C74 H112 N2 Ni2 P4 Si2 -","- C592 H896 N16 Ni16 P32 Si16 -","8","1","","Charboneau, David J.; Balcells, David; Hazari, Nilay; Lant, Hannah M. C.; Mayer, James M.; Melvin, Patrick R.; Mercado, Brandon Q.; Morris, Wesley D.; Repisky, Michal; Suh, Hee-Won","Dinitrogen-Facilitated Reversible Formation of a Si‒H Bond in a Pincer-Supported Ni Complex","Organometallics","2016","35","18","3154","","10.1021/acs.organomet.6b00514","","","1.54187","CuKα","","0.0835","0.0607","","","0.1513","0.1582","","","","","","1.047","","","","has coordinates","186939","2020-10-21","18:00:00",""
"4088054","16.994","0.001","34.291","0.001","27.1533","0.0009","90","","96.486","0.003","90","","15722.1","1.2","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C59 H97 N3 P4 Yb -","- C59 H97 N3 P4 Yb -","- C472 H776 N24 P32 Yb8 -","8","1","","Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory","η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants","Organometallics","2015","34","22","5470","","10.1021/acs.organomet.5b00814","","","0.71069","MoKα","","0.0752","0.0497","","","0.1","0.1119","","","","","","1.062","","","","has coordinates","237231","2020-10-21","18:00:00",""
"4089283","19.33","0.002","29.736","0.002","20.4953","0.0014","90","","108.901","0.002","90","","11145.4","1.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C114 H172 Al2 N4 O3 Si2 -","- C114 H172 Al2 N4 O3 Si2 -","- C456 H688 Al8 N16 O12 Si8 -","4","0.5","","Motolko, Kelly S. A.; Emslie, David J. H.; Jenkins, Hilary A.","Yttrium and Aluminum Alkyl Complexes of a Rigid Bis-Anilido NON-Donor Ligand: Synthesis and Hydroamination Catalysis","Organometallics","2017","36","8","1601","","10.1021/acs.organomet.7b00156","","","0.71073","MoKα","","0.0842","0.0522","","","0.1249","0.1427","","","","","","1.036","","","","has coordinates,has disorder","288470","2023-12-21","09:48:44",""
"4101357","24.471","0.005","14.566","0.003","31.674","0.006","90","","91.08","0.03","90","","11288","4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H154 N12 O38 Ru6 -","- C90 H102 N12 O38 Ru6 -","- C360 H408 N48 O152 Ru24 -","4","0.5","","Grote, Zacharias; Bonazzi, Simone; Scopelliti, Rosario; Severin, Kay","Bridged dihydroxypyridine ligands for the synthesis of expanded helicates.","Journal of the American Chemical Society","2006","128","32","10382","10383","10.1021/ja0637806","","","0.71073","MoKα","","0.1567","0.0868","","","0.1933","0.2397","","","","","","1.091","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101768","28.793","0.0014","16.7444","0.0008","29.2296","0.0014","90","","116.024","0.001","90","","12663.4","1.1","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C76 H160 K4 N12 Ni2 O24 Sn17 -","- C76 H159.98 K4 N12 Ni2 O24 Sn17 -","- C304 H639.92 K16 N48 Ni8 O96 Sn68 -","4","0.5","","Esenturk, Emren N; Fettinger, James C; Eichhorn, Bryan W","Synthesis, structure, and dynamic properties of [Ni2Sn17]4-.","Journal of the American Chemical Society","2006","128","1","12","13","10.1021/ja055379+","","","0.71073","MoKα","","0.0271","0.0223","","","0.0543","0.0563","","","","","","1.072","","","","has coordinates,has disorder","178763","2020-10-21","18:00:00",""
"4101966","22.8234","","4.7105","","17.6462","","90","","73.2208","","90","","1816.36","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101969","24.2387","","4.6525","","18.1098","","90","","115.793","","90","","1838.79","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C10 H14 O -","- C10 H14 O -","- C80 H112 O8 -","8","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4102544","14.682","0.0012","9.297","0.0007","31.39","0.003","90","","94.991","0.001","90","","4268.4","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","JK_009","","","- C19 H32 Cl2 Ir N2 P -","- C19 H32 Cl2 Ir N2 P -","- C152 H256 Cl16 Ir8 N16 P8 -","8","1","","Douglas B. Grotjahn; John E. Kraus; Hani Amouri; Marie-Noelle Rager; Andrew L. Cooksy; Amy J. Arita; Sara A. Cortes-Llamas; Arthur A. Mallari; Antonio G. DiPasquale; Curtis E. Moore; Louise M. Liable-Sands; James D. Golen; Lev N. Zakharov; Arnold L. Rheingold","Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group","Journal of the American Chemical Society","2010","132","","7919","7934","10.1021/ja906712g","","","0.71069","MoKα","","0.0229","0.0206","","","0.0474","0.0483","","","","","","1.05","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4102704","32.472","0.002","6.2695","0.0007","36.429","0.002","90","","95.889","0.002","90","","7377.2","1","153","2","153","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H36 Ag Cl N2 S4 -","- C39 H36 Ag Cl N2 S4 -","- C312 H288 Ag8 Cl8 N16 S32 -","8","1","","Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley","Design, Synthesis, and Study of Main Chain Poly(N-Heterocyclic Carbene) Complexes: Applications in Electrochromic Devices","Journal of the American Chemical Society","2010","132","","10184","10194","10.1021/ja104051x","","","0.71069","MoKα","","0.1067","0.0593","","","0.1258","0.1431","","","","","","1.226","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4103316","10.99","0.002","12.734","0.002","18.542","0.002","90","","101.8","0.02","90","","2540.1","0.7","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","hexacarbonyldi-μ-chloro(μ-4,5-bis(trimethylsilyl)pyridazine-κN1:κN2) dirhenium","","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C16 H20 Cl2 N2 O6 Re2 Si2 -","- C64 H80 Cl8 N8 O24 Re8 Si8 -","4","0.5","","Elsa Quartapelle Procopio; Matteo Mauro; Monica Panigati; Daniela Donghi; Pierluigi Mercandelli; Angelo Sironi; Giuseppe D'Alfonso; Luisa De Cola","Highly Emitting Concomitant Polymorphic Crystals of a Dinuclear Rhenium Complex","Journal of the American Chemical Society","2010","132","","14397","14399","10.1021/ja106772v","","","0.71073","MoKα","","0.0239","0.0194","","","0.0348","0.0359","","","","","","1.052","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103981","23.7547","0.0009","12.9647","0.0005","29.9129","0.0011","90","","96.992","0.001","90","","9143.8","0.6","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","08016","","","- C29 H63 Cu3 F6 N9 O6 S4 -","- C29 H63 Cu3 F6 N9 O6 S4 -","- C232 H504 Cu24 F48 N72 O48 S32 -","8","1","","Itsik Bar-Nahum; Aalo K. Gupta; Stefan M. Huber; Mehmed Z. Ertem; Christopher J. Cramer; William B. Tolman","Reduction of Nitrous Oxide to Dinitrogen by a Mixed Valent Tricopper-Disulfido Cluster","Journal of the American Chemical Society","2009","131","","2812","2814","10.1021/ja808917k","","","0.71073","MoKα","","0.0571","0.0353","","","0.0768","0.0884","","","","","","1.04","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4105513","32.529","0.004","6.272","0.0008","36.401","0.005","90","","95.816","0.012","90","","7388.4","1.7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H36 Au Cl N2 S4 -","- C39 H36 Au Cl N2 S4 -","- C312 H288 Au8 Cl8 N16 S32 -","8","1","","Adam B. Powell; Christopher W. Bielawski; Alan H. Cowley","Electropolymerization of an N-Heterocyclic Carbene-Gold(I) Complex","Journal of the American Chemical Society","2009","131","","18232","18233","10.1021/ja908969q","","","0.71075","MoKα","","0.1038","0.0686","","","0.144","0.161","","","","","","1.224","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105520","19.3366","0.0009","11.8007","0.0005","25.3005","0.0016","90","","99.686","0.001","90","","5690.9","0.5","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C68 H82 Ge2 -","- C68 H82 Ge2 -","- C272 H328 Ge8 -","4","0.5","","Owen T. Summerscales; J. Oscar C. Jiménez-Halla; Gabriel Merino; Philip P. Power","Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon-Carbon and Germanium-Germanium Multiple Bond Cleavage","Journal of the American Chemical Society","2011","133","","180","183","10.1021/ja107380p","","","0.71073","MoKα","","0.0339","0.0297","","","0.0753","0.0768","","","","","","1.068","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105754","19.5182","0.0011","12.1763","0.0007","24.6715","0.0012","90","","107.442","0.004","90","","5593.8","0.5","223","","223","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C60 H82 N4 Pd2 -","- C60 H82 N4 Pd2 -","- C240 H328 N16 Pd8 -","4","0.5","","Damian P. Hruszkewycz; Jianguo Wu; Nilay Hazari; Christopher D. Incarvito","Palladium(I)-Bridging Allyl Dimers for the Catalytic Functionalization of CO2","Journal of the American Chemical Society","2011","133","","3280","3283","10.1021/ja110708k","","","0.71075","MoKα","","","0.051","","","","0.095","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106025","25.5939","0.0013","15.2087","0.0006","41.538","0.002","90","","95.15","0.003","90","","16103.4","1.3","90","2","90","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Sm@C90(90:46)NiOEP.2toluene","","","- C140 H60 N4 Ni Sm -","- C140 H60 N4 Ni Sm -","- C1120 H480 N32 Ni8 Sm8 -","8","1","","Hua Yang; Hongxiao Jin; Hongyu Zhen; Zhimin Wang; Ziyang Liu; Christine M. Beavers; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Identification of Four Isomers of Sm@C90","Journal of the American Chemical Society","2011","133","","6299","6306","10.1021/ja111465n","","","0.71073","MoKα","","0.0914","0.0775","","","0.2176","0.2336","","","","","","1.065","","","","has coordinates,has disorder","178806","2020-10-21","18:00:00",""
"4106364","17.8157","0.0013","8.8933","0.0007","20.7581","0.0016","90","","91.952","0.006","90","","3287","0.4","223","","223","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H25 Ir O9 S -","- C10 H25 Ir O9 S -","- C80 H200 Ir8 O72 S8 -","8","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.055","","","","0.0772","","","","","","1.126","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106542","15.8497","0.0012","25.8968","0.0011","17.0594","0.0007","90","","95.87","","90","","6965.4","0.7","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H54 Ge -","- C42 H54 Ge -","- C336 H432 Ge8 -","8","1","","Owen T. Summerscales; James C. Fettinger; Philip P. Power","C-H Activation of Cycloalkenes by Dimetallynes (M = Ge, Sn) under Ambient Conditions","Journal of the American Chemical Society","2011","133","","11960","11963","10.1021/ja205816d","","","0.71073","MoKα","","0.049","0.0351","","","0.074","0.079","","","","","","1.023","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106543","18.0854","0.0015","10.1004","0.0008","33.039","0.003","90","","92.544","0.002","90","","6029.3","0.9","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C35 H42 Ge -","- C35 H42 Ge -","- C280 H336 Ge8 -","8","1","","Owen T. Summerscales; James C. Fettinger; Philip P. Power","C-H Activation of Cycloalkenes by Dimetallynes (M = Ge, Sn) under Ambient Conditions","Journal of the American Chemical Society","2011","133","","11960","11963","10.1021/ja205816d","","","1.54178","CuKα","","0.0279","0.0277","","","0.0757","0.0758","","","","","","1.062","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106666","24.7961","0.0016","11.9905","0.0008","21.8533","0.0014","90","","104.655","0.001","90","","6286","0.7","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C68 H90 Cr2 O9 -","- C68 H90 Cr2 O9 -","- C272 H360 Cr8 O36 -","4","0.5","","Matthew E. O'Reilly; Trevor J. Del Castillo; Joseph M. Falkowski; Vasanth Ramachandran; Mekhala Pati; Marie C. Correia; Khalil A. Abboud; Naresh S. Dalal; David E. Richardson; Adam S. Veige","Autocatalytic O2 Cleavage by an OCO3-Trianionic Pincer CrIII Complex: Isolation and Characterization of the Autocatalytic Intermediate [CrIV]2(μ-O) Dimer","Journal of the American Chemical Society","2011","133","","13661","13673","10.1021/ja2050474","","","0.71073","MoKα","","0.0849","0.0518","","","0.1227","0.1345","","","","","","0.989","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4107398","23.1","0.02","12.32","0.01","12.78","0.01","90","","92.03","0.01","90","","3635","5","299","","","","","","","","","","Local laboratory","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H36 N2 O7 Pd -","- C36 H36 N2 O7 Pd -","- C144 H144 N8 O28 Pd4 -","4","0.5","","Raivis Zalubovskis; Alexis Bouet; Ester Fjellander; Samuel Constant; David Linder; Andreas Fischer; Jérôme Lacour; Timofei Privalov; Christina Moberg","Self-Adaptable Catalysts: Substrate-Dependent Ligand Configuration","Journal of the American Chemical Society","2008","130","","1845","1855","10.1021/ja074044k","","","0.71073","MoKα","","0.1368","0.0755","","","0.1632","0.1939","","","","","","1.101","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107594","15.3492","0.0003","17.765","0.0004","34.5444","0.0007","90","","90.028","0.001","90","","9419.5","0.3","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","dmc4abr","","","- C48 H60 Br4 Cl4 -","- C48 H60 Br4 Cl4 -","- C384 H480 Br32 Cl32 -","8","1","","Maria H. Filby; Sara Jane Dickson; Nelsi Zaccheroni; Luca Prodi; Sara Bonacchi; Marco Montalti; Martin J. Paterson; Terry D. Humphries; Claudio Chiorboli; Jonathan W. Steed","Induced Fit Interanion Discrimination by Binding-Induced Excimer Formation","Journal of the American Chemical Society","2008","130","","4105","4113","10.1021/ja711012d","","","0.71073","MoKα","","0.1365","0.0642","","","0.1291","0.1537","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108782","19.903","0.003","14.063","0.002","19.279","0.003","90","","100.987","0.002","90","","5297.2","1.4","157","2","157","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C20 H24 F6 N2 O6 Pt S2 -","- C20 H24 F6 N2 O6 Pt S2 -","- C160 H192 F48 N16 O48 Pt8 S16 -","8","1","","Jennifer L. McBee; Alexis T. Bell; T. Don Tilley","Mechanistic Studies of the Hydroamination of Norbornene with Electrophilic Platinum Complexes: The Role of Proton Transfer","Journal of the American Chemical Society","2008","130","","16562","16571","10.1021/ja8030104","","","0.71073","MoKα","","0.0667","0.0373","","","0.0689","0.0719","","","","","","0.788","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4109676","17.4769","0.0019","17.0447","0.0018","17.628","0.002","90","","113.106","0.012","90","","4829.9","1","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H43 Cl6 N2 Ni O2 Sb -","- C47 H43 Cl6 N2 Ni O2 Sb -","- C188 H172 Cl24 N8 Ni4 O8 Sb4 -","4","0.5","","Dieter Meinhard; Marcus Wegner; Georgy Kipiani; Andrew Hearley; Peter Reuter; Stefan Fischer; Othmar Marti; Bernhard Rieger","New Nickel(II) Diimine Complexes and the Control of Polyethylene Microstructure by Catalyst Design","Journal of the American Chemical Society","2007","129","","9182","9191","10.1021/ja070224i","","","0.71073","MoKα","","0.0789","0.052","","","0.1371","0.1481","","","","","","1.052","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109957","24.456","0.005","11.441","0.002","25.36","0.005","90","","110.31","0.03","90","","6655","3","153","2","153","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H92 Cu F12 N4 P2 Ru4 -","- C68 H92 Cu F12 N4 P2 Ru4 -","- C272 H368 Cu4 F48 N16 P8 Ru16 -","4","0.5","","Luciano Cuesta; Dustin Gross; Vincent M. Lynch; Zhongping Ou; Wiroaj Kajonkijya; Kei Ohkubo; Shunichi Fukuzumi; Karl M. Kadish; Jonathan L. Sessler","Design and Synthesis of Polymetallic Complexes Based on meso-Calix[4]pyrrole: Platforms for Multielectron Chemistry","Journal of the American Chemical Society","2007","129","","11696","11697","10.1021/ja075613r","","","0.71073","MoKα","","0.2704","0.1165","","","0.1579","0.1824","","","","","","1.48","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109973","24.367","0.005","15.987","0.003","35.379","0.008","90","","91.155","0.004","90","","13779","5","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C98 H222 N6 O38 W10 Zr2 -","- C66 H144 N4 O38 W10 Zr2 -","- C264 H576 N16 O152 W40 Zr8 -","4","0.5","","R. John Errington; Sagar S. Petkar; Paul S. Middleton; William McFarlane; William Clegg; Robert A. Coxall; Ross W. Harrington","Synthesis and Reactivity of the Methoxozirconium Pentatungstate (nBu4N)6[{(μ-MeO)ZrW5O18}2]: Insights into Proton-Transfer Reactions, Solution Dynamics, and Assembly of {ZrW5O18}2- Building Blocks","Journal of the American Chemical Society","2007","129","","12181","12196","10.1021/ja0725495","","","0.69","synchrotron","","0.1051","0.0874","","","0.2574","0.2882","","","","","","1.242","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4110008","21.074","0.01","13.495","0.006","32.383","0.018","90","","106.722","0.007","90","","8820","8","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C88 H90 Mn6 N6 O24 -","- C88 H90 Mn6 N6 O24 -","- C352 H360 Mn24 N24 O96 -","4","0.5","","Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin","Toward a Magnetostructural Correlation for a Family of Mn6SMMs","Journal of the American Chemical Society","2007","129","","12505","12511","10.1021/ja0736616","","","0.71073","MoKα","","0.1188","0.0815","","0.0529","0.0499","0.0499","","","","","","1.0028","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4111763","19.117","0.004","10.657","0.002","17.412","0.004","90","","94.24","0.03","90","","3537.6","1.3","20","","20","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","","0.394","synchrotron","","0.1337","0.0841","","","0.2229","0.2724","","","","","","1.069","","","","has coordinates","178888","2020-10-21","18:00:00",""
"4111764","19.042","0.004","10.657","0.002","17.324","0.004","90","","94.27","0.03","90","","3505.8","1.3","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.1016","0.0517","","","0.126","0.206","","","","","","1.203","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111765","19.0378","0.0004","10.6843","0.0002","17.3365","0.0004","90","","94.332","0.001","90","","3516.27","0.13","125","","125","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0926","0.0508","","","0.1281","0.2044","","","","","","1.201","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111766","19.0605","0.0004","10.6978","0.0002","17.3234","0.0004","90","","94.324","0.001","90","","3522.28","0.13","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0908","0.051","","","0.1308","0.2073","","","","","","1.21","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111767","19.077","0.0004","10.728","0.0002","17.326","0.0004","90","","94.355","0.001","90","","3535.67","0.13","175","","175","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0914","0.0505","","","0.1261","0.2005","","","","","","1.195","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111768","19.0867","0.0004","10.7531","0.0002","17.322","0.0004","90","","94.392","0.001","90","","3544.75","0.13","200","","200","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0915","0.0487","","","0.129","0.2037","","","","","","1.245","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111769","19.0977","0.0004","10.7768","0.0002","17.3233","0.0004","90","","94.45","0.001","90","","3554.6","0.13","225","","225","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0911","0.0473","","","0.1246","0.1934","","","","","","1.228","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111770","19.0942","0.0004","10.7964","0.0003","17.3098","0.0004","90","","94.496","0.001","90","","3557.41","0.15","250","","250","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0915","0.0458","","","0.1248","0.1905","","","","","","1.238","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111771","19.1084","0.0005","10.8267","0.0003","17.31","0.0004","90","","94.551","0.001","90","","3569.82","0.16","275","","275","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0908","0.0454","","","0.1186","0.1799","","","","","","1.192","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111772","19.1115","0.0005","10.8542","0.0003","17.2982","0.0004","90","","94.603","0.001","90","","3576.77","0.16","300","","300","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","MnDEF","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn3 N2 O14 -","- C136 H136 Mn12 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","x-ray","0.71073","MoKα","","0.0895","0.0439","","","0.1191","0.1716","","","","","","1.192","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111773","19.1076","","10.6527","","17.3907","","90","","94.172","","90","","3530.45","","20","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 Mn3 N2 O14 -","- C34 H34 Mn2.5 N2 O14 -","- C136 H136 Mn10 N8 O56 -","4","0.5","","Rasmus D. Poulsen; Anders Bentien; Marie Chevalier; Bo B. Iversen","Synthesis, Physical Properties, Multitemperature Crystal Structure, and 20 K Synchrotron X-ray Charge Density of a Magnetic Metal Organic Framework Structure, Mn~3~[C~8~O~4~H~4~]~3~(C~5~H~11~ON)~2~","Journal of the American Chemical Society","2005","127","","9156","9166","10.1021/ja051233z","","","0.394","Synchrotron","","0.0648","0.0378","","","","0.074","","","","","","0.632","","","","has coordinates","192344","2020-10-21","18:00:00",""
"4112091","21.694","0.004","18.392","0.004","32.292","0.007","90","","96.47","0.03","90","","12802","5","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Dipp*Sn(N-SiMe3)SnDipp*.0.5n-hexane","","","- C66 H90 N Si Sn2 -","- C66 H90 N Si Sn2 -","- C528 H720 N8 Si8 Sn16 -","8","1","","Chunming Cui; Marilyn M. Olmstead; James C. Fettinger; Geoffrey H. Spikes; Philip P. Power","Reactions of the Heavier Group 14 Element Alkyne Analogues Ar'EEAr' (Ar' = C6H3-2,6(C6H3-2,6-Pri2)2; E = Ge, Sn) with Unsaturated Molecules: Probing the Character of the EE Multiple Bonds","Journal of the American Chemical Society","2005","127","","17530","17541","10.1021/ja055372s","","","0.71073","MoKα","","0.1207","0.0577","","","0.1433","0.1736","","","","","","1.023","","","","has coordinates,has disorder","178891","2020-10-21","18:00:00",""
"4112935","25.4245","0.001","9.5083","0.0004","25.4884","0.001","90","","98.36","0.001","90","","6096.2","0.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H16 N2 O4 Pt S -","- C13 H16 N2 O4 Pt S -","- C208 H256 N32 O64 Pt16 S16 -","16","2","","Andrei N. Vedernikov; James C. Fettinger; Fabian Mohr","Synthesis and Reactivity of Dimethyl Platinum(IV) Hydrides in Water","Journal of the American Chemical Society","2004","126","","11160","11161","10.1021/ja046310p","","","0.71073","MoKα","","0.0335","0.0263","","","0.0602","0.063","","","","","","1.096","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4114850","17.1447","0.0015","4.553","0.0005","19.4408","0.0015","90","","103.212","0.005","90","","1477.4","0.2","295","1","295","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- B12 Co2 Na2 O21 -","- B12 Co2 Na2 O21 -","- B48 Co8 Na8 O84 -","4","0.5","","Jesse L. C. Rowsell; Nicholas J. Taylor; Linda F. Nazar","Structure and Ion Exchange Properties of a New Cobalt Borate with a Tunnel Structure ""Templated"" by Na+","Journal of the American Chemical Society","2002","124","","6522","6523","10.1021/ja020106p","","","0.71073","MoKα","","0.0399","0.0265","","","0.0503","0.0515","","","","","","1.223","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114851","17.4296","0.0007","4.5518","0.0002","19.5893","0.0008","90","","103.91","0.001","90","","1508.56","0.11","295","1","295","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- B12 Co2 H4 Li2 O23 -","- B12 Co2 Li2 O23 -","- B48 Co8 Li8 O92 -","4","0.5","","Jesse L. C. Rowsell; Nicholas J. Taylor; Linda F. Nazar","Structure and Ion Exchange Properties of a New Cobalt Borate with a Tunnel Structure ""Templated"" by Na+","Journal of the American Chemical Society","2002","124","","6522","6523","10.1021/ja020106p","","","0.71073","MoKα","","0.049","0.042","","","0.0887","0.09","","","","","","1.904","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114927","20.2143","0.0016","13.86","0.0011","24.184","0.002","90","","100.803","0.002","90","","6655.6","0.9","223","2","223","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H29 Al B11 Br6 N2 -","- C18 H29 Al B11 Br6 N2 -","- C144 H232 Al8 B88 Br48 N16 -","8","1","","Kee-Chan Kim; Christopher A. Reed; Gregory S. Long; Ayusman Sen","Et2Al+ Alumenium Ion-like Chemistry. Synthesis and Reactivity toward Alkenes and Alkene Oxides","Journal of the American Chemical Society","2002","124","","7662","7663","10.1021/ja0259990","","","0.71073","MoKα","","0.0484","0.0306","","","0.0551","0.0569","","","","","","1.018","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4115182","24.6924","0.0019","9.6945","0.0007","20.2514","0.0016","90","","101.676","0.0015","90","","4747.5","0.6","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 I O4 P -","- C28 H22 I O4 P -","- C224 H176 I8 O32 P8 -","8","1","","Viktor V. Zhdankin; Olena Maydanovych; Jon Herschbach; Robert McDonald; Rik R. Tykwinski","Preparation, Structure, and Unexpected Chemistry of Phosphoranyl-Derived Benziodoxoles","Journal of the American Chemical Society","2002","124","","11614","11615","10.1021/ja0277780","","","0.71073","MoKα","","0.045","0.0333","","","0.0768","0.0812","","","","","","1.04","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115355","22.981","0.007","16.858","0.005","24.753","0.007","90","","96.441","0.005","90","","9529","5","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","tetrakis(tetraethylammonium)bis(trispyrazoloylborate) -bis(hydrogensulfido)-mu6-sulfido-hexakis-(mu3)-sulfido -bis(mu2)-sulfido-hexa-iron-di-vanadium acetonitrile solvate","","- C62 H120 B2 Fe6 N22 S11 V2 -","- C62 H120 B2 Fe6 N22 S11 V2 -","- C248 H480 B8 Fe24 N88 S44 V8 -","4","0.5","","Yugen Zhang; Jing-Lin Zuo; Hong-Cai Zhou; R. H. Holm","Rearrangement of Symmetrical Dicubane Clusters into Topological Analogues of the P Cluster of Nitrogenase: Nature's Choice?","Journal of the American Chemical Society","2002","124","","14292","14293","10.1021/ja0279702","","","0.71073","MoKα","","0.0878","0.0743","","","0.1601","0.1664","","","","","","1.246","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115561","13.7403","0.0002","17.3226","0.0002","26.3308","0.0003","90","","91.647","0.0002","90","","6264.61","0.14","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33.5 H32 Cl3 N Si Zr -","- C33 H31 Cl2 N Si Zr -","- C264 H248 Cl16 N8 Si8 Zr8 -","8","1","","John A. Ewen; Michael J. Elder; Robert L. Jones; Arnold L. Rheingold; Louise M. Liable-Sands; Roger D. Sommer","Chiral Ansa Metallocenes with Cp Ring-Fused to Thiophenes and Pyrroles: Syntheses, Crystal Structures, and Isotactic Polypropylene Catalysts","Journal of the American Chemical Society","2001","123","","4763","4773","10.1021/ja004266h","","","0.71073","MoKα","","0.0544","0.0455","","","0.1408","0.1505","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115648","26.574","0.004","10.2177","0.0015","28.363","0.007","90","","92.702","0.002","90","","7693","2","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C78 H70 Cl12 I2 O6 W -","- C78 H70 Cl12 I2 O6 W -","- C312 H280 Cl48 I8 O24 W4 -","4","0.5","","Arkadi Vigalok; Zhengguo Zhu; Timothy M. Swager","Conducting Polymers Incorporating Tungsten-Capped Calixarenes","Journal of the American Chemical Society","2001","123","","7917","7918","10.1021/ja0160142","","","0.71073","MoKα","","0.1175","0.0778","","","0.197","0.2144","","","","","","1.072","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115868","20.6472","0.0005","13.1795","0.0002","28.9832","0.001","90","","91.723","0.001","90","","7883.3","0.4","188","2","188","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Ni2(OAc)2(BPAN)(CH3OH)](ClO4)2 (3'.CH3OH).","","","- C31 H44 Cl2 N6 Ni2 O15 -","- C31 H33 Cl2 N6 Ni2 O15 -","- C248 H264 Cl16 N48 Ni16 O120 -","8","1","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0726","0.0472","","","0.1463","0.1598","","","","","","1.105","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115869","24.6718","0.0002","11.072","0.0002","26.8327","0.0003","90","","109.207","0.001","90","","6921.78","0.16","188","2","188","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Co4(OH)4(BPAN)2](ClO4)4 (4.4CH3CN).","","","- C56 H68 Cl4 Co4 N16 O20 -","- C56 H52 Cl4 Co4 N16 O20 -","- C224 H208 Cl16 Co16 N64 O80 -","4","0.5","","Chuan He; Stephen J. Lippard","Modeling Carboxylate-Bridged Dinuclear Active Sites in Metalloenzymes Using a Novel Naphthyridine-Based Dinucleating Ligand","Journal of the American Chemical Society","2000","122","","184","185","10.1021/ja993125g","","","0.71073","MoKα","","0.0999","0.0602","","","0.159","0.1769","","","","","","1.107","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4116008","17.623","0.004","10.522","0.002","19.457","0.004","90","","90.78","0.03","90","","3607.6","1.3","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[FE(II)(TPPBr4)(NO)]","Nitrosyl-iron(II)-2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrin","","- C44 H24 Br4 Fe N5 O -","- C44 H24 Br4 Fe N5 O -","- C176 H96 Br16 Fe4 N20 O4 -","4","0.5","","W. Robert Scheidt; Hugues F. Duval; Teresa J. Neal; Mary K. Ellison","Intrinsic Structural Distortions in Five-Coordinate (Nitrosyl)iron(II) Porphyrinate Derivatives","Journal of the American Chemical Society","2000","122","","4651","4659","10.1021/ja993995y","","","0.71073","MoKα","","0.1474","0.0982","","","0.2538","0.3373","","","","","","1.054","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116440","20.8935","0.0018","19.52","0.0018","25.113","0.002","90","","90.331","0.009","90","","10241.9","1.5","180","2","180","2","","","","","","","synthetic route","6","I 1 2/a 1","-I 2ya","15","","","","- C52 H92 I2 P2 Ru S -","- C52 H92 P2 Ru Si2 -","- C416 H736 P16 Ru8 Si16 -","8","1","","Fabien Delpech; Sylviane Sabo-Etienne; Jean-Claude Daran; Bruno Chaudret; Khansaa Hussein; Colin J. Marsden; Jean-Claude Barthelat","Ruthenium Complexes Containing Two Ru-(η2-Si-H) Bonds: Synthesis, Spectroscopic Properties, Structural Data, Theoretical Calculations, and Reactivity Studies","Journal of the American Chemical Society","1999","121","","6668","6682","10.1021/ja990199j","","","0.71073","MoKα","","","0.0257","","","0.0313","","","","","0.9675","0.9675","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116451","27.2495","0.0008","16.4863","0.0013","29.413","0.002","90","","110.416","0.005","90","","12383.6","1.4","213","2","213","2","","","","","","","synthesized","5","I 1 2/a 1","-I 2ya","15","","Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)","","- C72 H72 Cr2 N12 O -","- C72 H72 Cr2 N12 O -","- C576 H576 Cr16 N96 O8 -","8","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.0751","0.0583","","0.1555","0.1325","","","","1.094","1.109","1.109","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116453","27.197","0.003","16.467","0.008","29.511","0.01","90","","110.43","0.02","90","","12385","8","213","2","213","2","","","","","","","synthesized","5","I 1 2/a 1","-I 2ya","15","","Tetrakis(2,6-diphenyliminopiperidinato)dichromium(II)","","- C69 H66 Cl2 Cr2 N12 -","- C69.017 H64 Cl2.034 Cr2 N12 -","- C552.136 H512 Cl16.272 Cr16 N96 -","8","1","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Isabel Pascual; Hong-Cai Zhou","Remarkable Effects of Axial π* Coordination on the Cr-Cr Quadruple Bond in Dichromium Paddlewheel Complexes","Journal of the American Chemical Society","1999","121","","6856","6861","10.1021/ja9912675","","","0.71073","MoKα","","0.091","0.0704","","0.189","0.1596","","","","1.084","1.095","1.095","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116822","6.16","0.002","11.909","0.003","7.504","0.002","90","","95.47","0.02","90","","548","0.3","130","2","130","2","","","","","","","Aldrich","3","I 1 2/a 1","-I 2ya","15","1,3,5-trifluorobenzene","1,3,5-trifluorobenzene","","- C6 H3 F3 -","- C6 H3 F3 -","- C24 H12 F12 -","4","0.5","","Venkat R. Thalladi; Hans-Christoph Weiss; Dieter Bläser; Roland Boese; Ashwini Nangia; Gautam R. Desiraju","C-H...F Interactions in the Crystal Structures of Some Fluorobenzenes","Journal of the American Chemical Society","1998","120","","8702","8710","10.1021/ja981198e","","","0.71073","MoKα","","0.0484","0.0419","","0.1163","0.1092","","","","1.055","1.077","1.077","","","","","has coordinates","178939","2020-10-21","18:00:00",""
"4116947","21.033","0.004","19.714","0.002","25.336","0.005","90","","90.01","0.02","90","","10505","3","293","2","293","2","","","","","","","synthetic route","5","I 1 2/a 1","-I 2ya","15","","dihydride [η2-1,2-bis(dimethylsilyl)benzene] bis(tricyclohexyl)phosphine ruthenium(II). benzene","","- C52 H92 P2 Ru Si2 -","- C52 H92 P2 Ru Si2 -","- C416 H736 P16 Ru8 Si16 -","8","1","","Fabien Delpech; Sylviane Sabo-Etienne; Bruno Chaudret; Jean-Claude Daran","Synthesis and Characterization of Chelating Bis(silane) Complexes [RuH2{(η2-HSiMe2)2X}(PCy3)2] (X = C6H4, O) Containing Two Ru-(η2-Si-H) Bonds","Journal of the American Chemical Society","1997","119","","3167","3168","10.1021/ja963933x","","","0.71073","MoKα","","","0.0446","","","0.0403","","","","","1.0706","1.0706","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117807","20.1337","0.001","8.1571","0.0004","33.9244","0.0017","90","","93.899","0.003","90","","5558.6","0.5","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","DACDMADthermal","","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C240 H272 N16 O48 -","8","1","","Jonathan P. Moerdyk; Christopher W. Bielawski","Alkyne and Reversible Nitrile Activation: N,N'-Diamidocarbene-Facilitated Synthesis of Cyclopropenes, Cyclopropenones, and Azirines","Journal of the American Chemical Society","2012","134","","6116","6119","10.1021/ja3014105","","","0.71075","MoKα","","0.0806","0.0563","","","0.1178","0.1296","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4119475","10.402","0.005","9.94","0.005","20.008","0.005","90","0.005","102.35","0.005","90","0.005","2020.9","1.5","153","2","153","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C88 H144 O16 -","4","0.5","","Laina M. Geary; Ben W. Glasspoole; Mary M. Kim; Michael J. Krische","Successive C-C Coupling of Dienes to Vicinally Dioxygenated Hydrocarbons: Ruthenium Catalyzed [4 + 2] Cycloaddition across the Diol, Hydroxycarbonyl, or Dione Oxidation Levels","Journal of the American Chemical Society","2013","135","","3796","3799","10.1021/ja400691t","","","0.71069","MoKα","","0.1363","0.1231","","","0.2948","0.3033","","","","","","2.229","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4120065","26.261","0.008","18.385","0.005","41.86","0.015","90","","106.844","0.004","90","","19343","11","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C108 H147 Ge1.5 S3 -","- C108 H147 Ge1.5 S3 -","- C864 H1176 Ge12 S24 -","8","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.2039","0.1622","","","0.3875","0.4228","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120074","26.2117","0.0018","18.3555","0.0013","41.77","0.004","90","","106.83","0.004","90","","19236","3","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C144 H196 S4 Si2 -","- C108.5 S4.22 Si2.35 -","- C868 S33.76 Si18.8 -","8","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","1.54178","CuKα","","0.285","0.2423","","","0.5481","0.5918","","","","","","2.42","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120075","16.7748","0.0008","16.8855","0.0008","47.454","0.002","90","","94.862","0.002","90","","13393","1.1","90","2","90","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C146 H202 Br0.1 K1.9 O10 S4 Si -","- C146 H202 Br0.1 K1.9 O10 S4 Si -","- C584 H808 Br0.4 K7.6 O40 S16 Si4 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","1.54178","CuKα","","0.0588","0.0545","","","0.1382","0.142","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120904","25.136","0.011","22.46","0.009","25.993","0.011","90","","93.64","0.04","90","","14645","11","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C69 H66 Cl3 N5 S16 -","- C68.5 H64.5 Cl2 N5 S16 -","- C548 H516 Cl16 N40 S128 -","8","1","","Dong Sub Kim; Vincent M. Lynch; Jung Su Park; Jonathan L. Sessler","Three Distinct Equilibrium States via Self-Assembly: Simple Access to a Supramolecular Ion-Controlled NAND Logic Gate","Journal of the American Chemical Society","2013","135","","14889","14894","10.1021/ja4080198","","","0.71073","MoKα","","0.2004","0.1156","","","0.2111","0.2405","","","","","","1.204","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4121480","14.1607","0.0009","21.6697","0.0014","16.7388","0.0009","90","","106.766","0.004","90","","4918.1","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H0 N9 O4 S0 -","- C49 H61 N5 O11 S2 -","- C196 H244 N20 O44 S8 -","4","0.5","","Ho, I-Ting; Zhang, Zhan; Ishida, Masatoshi; Lynch, Vincent M.; Cha, Won-Young; Sung, Young Mo; Kim, Dongho; Sessler, Jonathan L.","A Hybrid Macrocycle with a Pyridine Subunit Displays Aromatic Character upon Uranyl Cation Complexation.","Journal of the American Chemical Society","2014","136","11","4281","4286","10.1021/ja412520g","","","0.71075","MoKα","","0.0605","0.055","","","0.1688","0.1778","","","","","","0.762","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121913","15.852","0.003","4.277","0.0008","21.043","0.004","90","","103.334","0.005","90","","1388.2","0.5","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","0.5","","Gonzalez-de-Castro, Angela; Robertson, Craig M.; Xiao, Jianliang","Dehydrogenative α-Oxygenation of Ethers with an Iron Catalyst.","Journal of the American Chemical Society","2014","136","23","8350","8360","10.1021/ja502167h","","","0.71073","MoKα","","0.0389","0.0359","","","0.0911","0.0937","","","","","","1.059","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4122364","12.6153","0.0001","21.4829","0.0002","28.9327","0.0003","90","","94.419","0.001","90","","7817.83","0.13","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C76 H65 B3 F20 Ge2 N8 -","- C76 H65 B3 F20 Ge2 N8 -","- C304 H260 B12 F80 Ge8 N32 -","4","0.5","","Xiong, Yun; Szilvási, Tibor; Yao, Shenglai; Tan, Gengwen; Driess, Matthias","Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH](+) Stabilized by a Bis(N-heterocyclic carbene)borate Ligand.","Journal of the American Chemical Society","2014","136","32","11300","11303","10.1021/ja506824s","","","1.54184","CuKα","","0.0424","0.0387","","","0.0976","0.1001","","","","","","1.045","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122734","31.574","0.004","17.923","0.002","32.134","0.006","90","","119.365","0.003","90","","15848","4","100","2","100","2","","","","","","","","10","I 1 2/a 1","-I 2ya","15","","","","- C74 H71 Ag Ca Cl3.5 F3 Mn3 N10 O14.5 S -","- C74 H71 Ag Ca Cl3.5 F3 Mn3 N10 O14.5 S -","- C592 H568 Ag8 Ca8 Cl28 F24 Mn24 N80 O116 S8 -","8","1","","Kanady, Jacob S.; Lin, Po-Heng; Carsch, Kurtis M.; Nielsen, Robert J.; Takase, Michael K.; Goddard, 3rd, William A; Agapie, Theodor","Toward Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination To Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration That Electronic Effects Facilitate Binding of a Fifth Metal.","Journal of the American Chemical Society","2014","136","41","14373","","10.1021/ja508160x","","","0.71073","MoKα","","0.2258","0.1667","","","0.4213","0.4924","","","","","","2.111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4123273","5.7048","0.0001","5.161","0.0001","12.2285","0.0002","90","","95.751","0.001","90","","358.225","0.011","296","2","296","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- F3 Nb2 O2 -","- F3 Nb2 O2 -","- F12 Nb8 O8 -","4","0.5","","Tran, T. Thao; Gooch, Melissa; Lorenz, Bernd; Litvinchuk, Alexander P.; Sorolla, 2nd, Maurice G; Brgoch, Jakoah; Chu, Paul C. W.; Guloy, Arnold M.","Nb2O2F3: A Reduced Niobium (III/IV) Oxyfluoride with a Complex Structural, Magnetic, and Electronic Phase Transition.","Journal of the American Chemical Society","2015","137","2","636","639","10.1021/ja511745q","","","0.71073","MoKα","","0.0128","0.0121","","","0.034","0.0343","","","","","","1.24","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123615","16.1265","0.0005","16.6649","0.0006","15.4756","0.0004","90","","91.161","0.003","90","","4158.2","0.2","302","2","302","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(dma)2[Li2Zr(ox)4]","","- C12 H16 Li2 N2 O16 Zr -","- C12 H16 Li2 N2 O16 Zr -","- C96 H128 Li16 N16 O128 Zr8 -","8","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0359","0.0303","","","0.0832","0.0898","","","","","","1.063","","","","has coordinates","138217","2020-10-21","18:00:00",""
"4123616","16.0091","0.0008","16.6385","0.0009","15.3534","0.0007","90","","90.834","0.004","90","","4089.2","0.4","120","0.14","120","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","dma2[Li2Zr(ox)4]","Lithium Zirconium Oxalate Dimethylammonium","","- C12 H16 Li2 N2 O16 Zr -","- C12 H16 Li2 N2 O16 Zr -","- C96 H128 Li16 N16 O128 Zr8 -","8","1","","Tominaka, Satoshi; Coudert, François-Xavier; Dao, Thang D.; Nagao, Tadaaki; Cheetham, Anthony K.","Insulator-to-Proton-Conductor Transition in a Dense Metal-Organic Framework.","Journal of the American Chemical Society","2015","137","20","6428","6431","10.1021/jacs.5b02777","","","1.54184","CuKα","","0.0376","0.0322","","","0.0903","0.0969","","","","","","1.029","","","","has coordinates","138217","2020-10-21","18:00:00",""
"4124285","21.2698","0.0009","9.5532","0.0003","24.2485","0.0012","90","","113.778","0.006","90","","4508.9","0.4","180.01","0.1","180.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C45 H11 F20 N4 O4 Pt -","- C45 H11 F20 N4 O4 Pt -","- C180 H44 F80 N16 O16 Pt4 -","4","0.5","","Ke, Xian-Sheng; Zhao, Hongmei; Zou, Xiaoran; Ning, Yingying; Cheng, Xin; Su, Hongmei; Zhang, Jun-Long","Fine-Tuning of β-Substitution to Modulate the Lowest Triplet Excited States: A Bioinspired Approach to Design Phosphorescent Metalloporphyrinoids.","Journal of the American Chemical Society","2015","","","150817162021003","","10.1021/jacs.5b06332","","","0.7107","MoKα","","0.053","0.0358","","","0.0946","0.1064","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4124997","17.9849","0.0006","22.4945","0.001","21.353","0.0007","90","","95.132","0.003","90","","8604","0.6","123","2","123","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C86 H84 B F24 N4 Na Si2 -","- C86 H84 B F24.006 N4 Na Si2 -","- C344 H336 B4 F96.024 N16 Na4 Si8 -","4","0.5","","Arz, Marius I.; Straßmann, Martin; Geiß, Daniel; Schnakenburg, Gregor; Filippou, Alexander C.","Addition of Small Electrophiles to N-Heterocyclic-Carbene-Stabilized Disilicon(0): A Revisit of the Isolobal Concept in Low-Valent Silicon Chemistry.","Journal of the American Chemical Society","2016","138","13","4589","4600","10.1021/jacs.6b01018","","","0.71073","MoKα","","0.1439","0.0452","","","0.0989","0.1331","","","","","","0.698","","","","has coordinates,has disorder","182496","2020-10-21","18:00:00",""
"4125039","16.7035","0.0003","12.5777","0.0003","20.6707","0.0004","90","","92.5382","0.001","90","","4338.48","0.15","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(triphenylphosphoranylidene)ammonium manganese dicyanoaurate","","- C42 H30 Au3 Mn N7 P2 -","- C42 H30 Au3 Mn N7 P2 -","- C168 H120 Au12 Mn4 N28 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","0.71073","MoKα","","0.0435","0.0312","","0.0717","0.0668","0.0717","","","","","","0.9881","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125040","16.8455","0.0003","12.7383","0.0003","20.8965","0.0003","90","","92.3725","0.0016","90","","4480.19","0.15","292","","292","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","bis(triphenylphosphoranylidene)ammonium cadmium dicyanoaurate","","- C42 H30 Au3 Cd N7 P2 -","- C42 H30 Au3 Cd N7 P2 -","- C168 H120 Au12 Cd4 N28 P8 -","4","0.5","","Hill, Joshua A.; Thompson, Amber L.; Goodwin, Andrew L.","Dicyanometallates as Model Extended Frameworks.","Journal of the American Chemical Society","2016","138","18","5886","5896","10.1021/jacs.5b13446","","","1.54184","CuKα","","0.027","0.0226","","0.0549","0.0525","0.0549","","","","","","0.9997","","","","has coordinates","183564","2020-10-21","18:00:00",""
"4125248","14.9886","0.0004","14.8728","0.0004","36.1312","0.0009","90","","98.802","0.003","90","","7959.6","0.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H49 F7 Mg N2 O -","- C40 H49 F7 Mg N2 O -","- C320 H392 F56 Mg8 N16 O8 -","8","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark R.","Addition of Carbon-Fluorine Bonds to a Mg(I)-Mg(I) Bond: An Equivalent of Grignard Formation in Solution.","Journal of the American Chemical Society","2016","138","39","12763","12766","10.1021/jacs.6b08104","","","0.71073","MoKα","","0.0799","0.0555","","","0.131","0.1456","","","","","","1.042","","","","has coordinates,has disorder","187891","2020-10-21","18:00:00",""
"4125618","19.614","0.003","10.4389","0.0009","42.807","0.007","90","","99.657","0.015","90","","8640","2","150","0.1","150","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C39 H53 Co F6 N3 O6.5 P2 S2 -","- C39 H53 Co F6 N3 O6.5 P2 S2 -","- C312 H424 Co8 F48 N24 O52 P16 S16 -","8","1","","Roy, Souvik; Sharma, Bhaskar; Pécaut, Jacques; Simon, Philippe; Fontecave, Marc; Tran, Phong D.; Derat, Etienne; Artero, Vincent","Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid.","Journal of the American Chemical Society","2017","139","10","3685","3696","10.1021/jacs.6b11474","","x-ray","0.71073","MoKα","","0.1873","0.0745","","","0.1006","0.114","","","","","","0.856","","","","has coordinates,has disorder","194832","2020-10-21","18:00:00",""
"4125875","16.85","0.01","9.878","0.008","18.29","0.011","90","","105.79","0.06","90","","2929","4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","[C5H12N]2[Cu2(OAc)6]","Bis(piperidinium) hexaacetatodicopper(II)","","- C22 H42 Cu2 N2 O12 -","- C22 H42 Cu2 N2 O12 -","- C88 H168 Cu8 N8 O48 -","4","0.5","","Vantourout, Julien C.; Miras, Haralampos N.; Isidro-Llobet, Albert; Sproules, Stephen; Watson, Allan J. B.","Spectroscopic Studies of the Chan-Lam Amination: A Mechanism-Inspired Solution to Boronic Ester Reactivity.","Journal of the American Chemical Society","2017","139","13","4769","4779","10.1021/jacs.6b12800","","","0.71073","MoKα","","0.0831","0.0483","","","0.1045","0.1226","","","","","","1.036","","","","has coordinates","197433","2020-10-21","18:00:00",""
"4126119","18.021","0.0018","10.4127","0.0015","50.4404","0.0019","90","","90.378","0.003","90","","9464.8","1.7","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","CF050","","","- C26 H35 B O2 -","- C26 H35 B O2 -","- C416 H560 B16 O32 -","16","2","","Lik, Artur; Fritze, Lars; Müller, Lars; Helten, Holger","Catalytic B-C Coupling by Si/B Exchange: A Versatile Route to π-Conjugated Organoborane Molecules, Oligomers, and Polymers.","Journal of the American Chemical Society","2017","139","16","5692","5695","10.1021/jacs.7b01835","","","0.71073","MoKα","","0.152","0.0847","","","0.2258","0.2597","","","","","","1.06","","","","has coordinates,has disorder","197261","2020-10-21","18:00:00",""
"4126525","19.29945","0.00015","19.43507","0.00012","21.56961","0.00015","90","","97.9681","0.0007","90","","8012.35","0.1","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H90 Ga2 N4 P20 -","- C65 H90 Ga2 N4 P20 -","- C260 H360 Ga8 N16 P80 -","4","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.0407","0.0389","","","0.1003","0.1018","","","","","","1.031","","","","has coordinates,has disorder","201616","2020-10-21","18:00:00",""
"4126824","29.3979","0.0007","15.6933","0.0007","26.8044","0.0008","90","","90.613","0.002","90","","12365.5","0.7","123","2","123","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C146 H166 Mg4 N8 O4 -","- C146 H166 Mg4 N8 O4 -","- C584 H664 Mg16 N32 O16 -","4","0.5","","Boutland, Aaron; Carroll, Ashlea; Alvarez Lamsfus, Carlos; Stasch, Andreas; Maron, Laurent; Jones, Cameron","Reversible Insertion of a C=C Bond into Magnesium(I) Dimers: Generation of Highly Active 1,2-Dimagnesioethane Compounds.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11368","","","1.54184","CuKα","","0.1065","0.0744","","","0.1941","0.2265","","","","","","1.037","","","","has coordinates,has disorder","204085","2020-10-21","18:00:00",""
"4126840","14.908","0.006","8.201","0.003","15.681","0.004","90","","113.69","0.03","90","","1755.6","1.1","173","","173","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C10 H8 P2 -","- C10 H8 P2 -","- C80 H64 P16 -","8","1","","Taylor, Laurence J.; Bühl, Michael; Chalmers, Brian A.; Ray, Matthew J.; Wawrzyniak, Piotr; Walton, John C.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Dealkanative Main Group Couplings Across the peri-Gap.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08682","","","0.71075","MoKα","","0.1004","0.0445","","","0.0746","0.0899","","","","","","1.034","","","","has coordinates","204245","2020-10-21","18:00:00",""
"4126968","24.3829","0.0002","16.30723","0.00014","31.0829","0.0003","90","","108.553","0.0011","90","","11716.8","0.19","200","0.1","200","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C57 H124 Ag20 N12 O31 S10 -","- C57 H124 Ag20 N12 O31 S10 -","- C228 H496 Ag80 N48 O124 S40 -","4","0.5","","Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan","Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12136","","","1.54184","CuKα","","0.1067","0.1013","","","0.3488","0.3631","","","","","","1.025","","","","has coordinates,has disorder","204708","2020-10-21","18:00:00",""
"4127213","19.269","0.0007","24.3606","0.0004","41.316","0.0018","90","","102.261","0.004","90","","18951.5","1.2","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C210 H186 O12 -","- C210 H186 O12 -","- C840 H744 O48 -","4","0.5","","Zhu, Yanpeng; Xia, Zeming; Cai, Zeying; Yuan, Ziyong; Jiang, Nianqiang; Li, Tao; Wang, Yonggen; Guo, Xiaoyu; Li, Zhihao; Ma, Shuang; Zhong, Dingyong; Li, Yang; Wang, Jiaobing","Synthesis and Characterization of Hexapole [7]Helicene, A Circularly Twisted Chiral Nanographene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01447","","x-ray","1.54184","CuKα","","0.0606","0.0516","","","0.1481","0.1539","","","","","","1.079","","","","has coordinates,has disorder","207010","2020-10-21","18:00:00",""
"4127497","20.6373","0.0003","17.5541","0.0002","28.8861","0.0003","90","","92.318","0.001","90","","10456","0.2","180","0.1","180","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C49 H82 Cr K N6 O6 P -","- C49 H82 Cr K N6 O6 P -","- C392 H656 Cr8 K8 N48 O48 P8 -","8","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0359","0.0321","","","0.0846","0.0868","","","","","","1.036","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127696","23.1927","0.0009","6.0161","0.0002","27.2923","0.0009","90","","100.314","0.003","90","","3746.6","0.2","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H27 F3 O -","- C22 H27 F3 O -","- C176 H216 F24 O8 -","8","1","","Huang, David; Olivieri, Diego; Sun, Yang; Zhang, Pengpeng; Newhouse, Timothy R.","Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates.","Journal of the American Chemical Society","2019","141","41","16249","16254","10.1021/jacs.9b09245","","","1.54184","CuKα","","0.0594","0.044","","","0.1045","0.1136","","","","","","1.046","","","","has coordinates,has disorder","220889","2020-10-21","18:00:00",""
"4128026","28.2664","0.0009","8.0077","0.0002","18.2814","0.0005","90","","90.756","0.003","90","","4137.6","0.2","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H46 B2 F8 -","- C52 H46 B2 F8 -","- C208 H184 B8 F32 -","4","0.5","","Konishi, Akihito; Horii, Koki; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Yasuda, Makoto","Open-Shell and Antiaromatic Character Induced by the Highly Symmetric Geometry of the Planar Heptalene Structure: Synthesis and Characterization of a Nonalternant Isomer of Bisanthene.","Journal of the American Chemical Society","2019","141","26","10165","10170","10.1021/jacs.9b04080","","","0.71075","MoKα","","0.0883","0.0667","","","0.1654","0.1788","","","","","","1.044","","","","has coordinates","221164","2020-10-21","18:00:00",""
"4128103","20.049","0.0006","5.46156","0.00014","25.6163","0.0008","90","","107.386","0.003","90","","2676.81","0.14","100.2","0.4","100.2","0.4","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","1","","Phipps, Erik J. T.; Rovis, Tomislav","Rh(III)-Catalyzed C-H Activation-Initiated Directed Cyclopropanation of Allylic Alcohols.","Journal of the American Chemical Society","2019","141","17","6807","6811","10.1021/jacs.9b02156","","x-ray","1.54184","CuKα","","0.0513","0.0458","","","0.1151","0.1212","","","","","","1.036","","","","has coordinates","221233","2020-10-21","18:00:00",""
"4128573","19.752","0.0007","10.2926","0.0003","46.4258","0.0015","90","","94.082","0.003","90","","9414.4","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C52 H50 Au Cl F12 N P -","- C52 H50 Au Cl F12 N P -","- C416 H400 Au8 Cl8 F96 N8 P8 -","8","1","","Zuccarello, Giuseppe; Mayans, Joan G.; Escofet, Imma; Scharnagel, Dagmar; Kirillova, Mariia S.; Pérez-Jimeno, Alba H; Calleja, Pilar; Boothe, Jordan R.; Echavarren, Antonio M.","Enantioselective Folding of Enynes by Gold(I) Catalysts with a Remote <i>C</i><sub>2</sub>-Chiral Element.","Journal of the American Chemical Society","2019","141","30","11858","11863","10.1021/jacs.9b06326","","","0.7107","MoKα","","0.1145","0.0742","","","0.2083","0.2189","","","","","","1.304","","","","has coordinates,has disorder","221653","2020-10-21","18:00:00",""
"4129144","19.218","0.0009","8.0933","0.0004","20.8998","0.0016","90","","96.456","0.002","90","","3230.1","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 F3 N3 O2 -","- C18 H14 F3 N3 O2 -","- C144 H112 F24 N24 O16 -","8","1","","Wilde, Justin H.; Smith, Jacob A.; Dickie, Diane A.; Harman, W. Dean","Molybdenum-Promoted Synthesis of Isoquinuclidines with Bridgehead CF<sub>3</sub> Groups.","Journal of the American Chemical Society","2019","141","47","18890","18899","10.1021/jacs.9b10781","","","0.71073","MoKα","","0.068","0.0549","","","0.1373","0.1479","","","","","","1.032","","","","has coordinates","246563","2020-10-21","18:00:00",""
"4129251","18.5189","0.0017","6.1174","0.0006","21.937","0.003","90","","95.7725","0.0014","90","","2472.6","0.5","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","ubql12","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C96 H104 N8 O40 -","8","1","","Yu, Zhipeng; Lin, Qing","Design of spiro[2.3]hex-1-ene, a genetically encodable double-strained alkene for superfast photoclick chemistry.","Journal of the American Chemical Society","2014","136","11","4153","4156","10.1021/ja5012542","","","0.71073","MoKα","","0.079","0.0445","","","0.102","0.1172","","","","","","1.021","","","","has coordinates,has disorder","240019","2020-10-21","18:00:00",""
"4129271","20.9315","0.0003","10.0246","0.0001","27.2939","0.0004","90","","108.157","0.002","90","","5441.9","0.14","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ^2^-Buta-1,3-diyne-1,4-diyl){tetrakis[ethane-1,2-diylbis(diethylphosphane-κ<i>P</i>)]}dinitrodiiron","","- C44 H96 Fe2 N2 O4 P8 -","- C44 H96 Fe2 N2 O4 P8 -","- C176 H384 Fe8 N8 O16 P32 -","4","0.5","","Lissel, Franziska; Schwarz, Florian; Blacque, Olivier; Riel, Heike; Lörtscher, Emanuel; Venkatesan, Koushik; Berke, Heinz","Organometallic single-molecule electronics: tuning electron transport through X(diphosphine)2FeC4Fe(diphosphine)2X building blocks by varying the Fe-X-Au anchoring scheme from coordinative to covalent.","Journal of the American Chemical Society","2014","136","41","14560","14569","10.1021/ja507672g","","","0.71073","MoKα","","0.0375","0.033","","","0.083","0.086","","","","","","1.033","","","","has coordinates,has disorder","240026","2020-10-21","18:00:00",""
"4129328","10.9062","0.0008","9.951","0.0006","12.8568","0.0019","90","","92.754","0.01","90","","1393.7","0.2","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","TITNB","1,3,5-triiodo-2,4,6-trinitrobenzene","","- C6 I3 N3 O6 -","- C6 I3 N3 O6 -","- C24 I12 N12 O24 -","4","0.5","","Landenberger, Kira B.; Bolton, Onas; Matzger, Adam J.","Energetic-Energetic Cocrystals of Diacetone Diperoxide (DADP): Dramatic and Divergent Sensitivity Modifications via Cocrystallization.","Journal of the American Chemical Society","2015","137","15","5074","5079","10.1021/jacs.5b00661","","","1.54187","CuKα","","0.0489","0.0422","","","0.1062","0.1343","","","","","","1.194","","","","has coordinates","240063","2020-10-21","18:00:00",""
"4129789","20.4234","0.0008","18.1345","0.0007","42.812","0.0017","90","","93.299","0.002","90","","15829.9","1.1","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C50 H40 Cl P2 Rh -","- C50 H40 Cl P2 Rh -","- C800 H640 Cl16 P32 Rh16 -","16","2","","Mo, Fanyang; Lim, Hee Nam; Dong, Guangbin","Bifunctional Ligand-Assisted Catalytic Ketone α-Alkenylation with Internal Alkynes: Controlled Synthesis of Enones and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","49","15518","15527","10.1021/jacs.5b10466","","","0.71075","MoKα","","0.0667","0.0436","","","0.0941","0.101","","","","","","1.083","","","","has coordinates","240443","2020-10-21","18:00:00",""
"4130368","19.6428","0.001","9.1623","0.0005","33.756","0.002","90","","94.1615","0.0015","90","","6059.2","0.6","120","2","120","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C39 H38 Si -","- C39 H38 Si -","- C312 H304 Si8 -","8","1","","Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas","Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.","Journal of the American Chemical Society","2016","138","18","6061","6067","10.1021/jacs.6b02824","","","0.71073","MoKα","","0.0708","0.0455","","","0.107","0.1203","","","","","","1.03","","","","has coordinates","240828","2020-10-21","18:00:00",""
"4130667","18.102","0.003","12.1714","0.001","20.8315","0.0016","90","","91.349","0.002","90","","4588.5","0.9","100","","100","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H72 Ce Cl6 N7 -","- C32 H72 Ce Cl6 N7 -","- C128 H288 Ce4 Cl24 N28 -","4","0.5","","Yin, Haolin; Jin, Yi; Hertzog, Jerald E.; Mullane, Kimberly C.; Carroll, Patrick J.; Manor, Brian C.; Anna, Jessica M.; Schelter, Eric J.","The Hexachlorocerate(III) Anion: A Potent, Benchtop Stable, and Readily Available Ultraviolet A Photosensitizer for Aryl Chlorides.","Journal of the American Chemical Society","2016","138","50","16266","16273","10.1021/jacs.6b05712","","","0.71073","MoKα","","0.0299","0.0255","","","0.058","0.0617","","","","","","1.089","","","","has coordinates","241058","2020-10-21","18:00:00",""
"4131058","24.935","0.0019","11.6577","0.0005","34.387","0.003","90","","98.459","0.008","90","","9887","1.2","140.01","0.11","140.01","0.11","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C110 H112 B2 N8 -","- C110 H112 B2 N8 -","- C440 H448 B8 N32 -","4","0.5","","Eymann, Léonard Y M; Tskhovrebov, Alexander G.; Sienkiewicz, Andrzej; Bila, José L; Živković, Ivica; Rønnow, Henrik M; Wodrich, Matthew D.; Vannay, Laurent; Corminboeuf, Clémence; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Neutral Aminyl Radicals Derived from Azoimidazolium Dyes.","Journal of the American Chemical Society","2016","138","46","15126","15129","10.1021/jacs.6b09124","","x-ray","1.54184","CuKα","","0.1783","0.0905","","","0.2568","0.3336","","","","","","1.026","","","","has coordinates,has disorder","241366","2020-10-21","18:00:00",""
"4131211","23.8752","0.0008","12.5466","0.0004","29.7667","0.001","90","","100.702","0.003","90","","8761.6","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C53 H48 O6 P2 Ru -","- C53 H48 O6 P2 Ru -","- C424 H384 O48 P16 Ru8 -","8","1","","Sato, Hiroki; Bender, Matthias; Chen, Weijie; Krische, Michael J.","Diols, α-Ketols, and Diones as 2<sub>2π</sub> Components in [2+2+2] Cycloadditions of 1,6-Diynes via Ruthenium(0)-Catalyzed Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","50","16244","16247","10.1021/jacs.6b11746","","","1.54184","CuKα","","0.0489","0.0478","","","0.1318","0.134","","","","","","1.023","","","","has coordinates","241475","2020-10-21","18:00:00",""
"4131283","35.3839","0.0004","11.1376","0.0002","51.7427","0.0009","90","","95.806","0.001","90","","20286.8","0.6","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C95.25 H104.25 B0 Cl8.75 N8 Ni2 O4 Zn -","- C95.25 H100.5 Cl8.75 N8 Ni2.1 O4.1 Zn -","- C762 H804 Cl70 N64 Ni16.8 O32.8 Zn8 -","8","1","","Doistau, Benjamin; Benda, Lorien; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Ruiz, Eliseo; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume","Six States Switching of Redox-Active Molecular Tweezers by Three Orthogonal Stimuli.","Journal of the American Chemical Society","2017","139","27","9213","9220","10.1021/jacs.7b02945","","x-ray","0.66825","synchrotron","","0.1181","0.0863","","","0.2576","0.2893","","","","","","1.027","","","","has coordinates,has disorder","241515","2020-10-21","18:00:00",""
"4131540","31.349","0.004","10.2766","0.0016","33.152","0.005","90","","98.316","0.011","90","","10568","3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H38 B2 Cd Cl4 P2 -","- C35 H38 B2 Cd Cl4 P2 -","- C420 H456 B24 Cd12 Cl48 P24 -","12","1.5","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0945","0.0608","","","0.1139","0.133","","","","","","1.151","","","","has coordinates,has disorder","241730","2020-10-21","18:00:00",""
"4131544","18.529","0.008","18.634","0.008","47.04","0.02","90","","98.769","0.007","90","","16052","12","100","1","100.01","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C86 H79 Fe N6 -","- C86 H79 Fe N6 -","- C688 H632 Fe8 N48 -","8","1","","Wilding, Matthew J. T.; Iovan, Diana A.; Betley, Theodore A.","High-Spin Iron Imido Complexes Competent for C-H Bond Amination.","Journal of the American Chemical Society","2017","139","34","12043","12049","10.1021/jacs.7b06682","","","0.71073","MoKα","","0.1586","0.1075","","","0.3064","0.3463","","","","","","1.105","","","","has coordinates,has disorder","241733","2020-10-21","18:00:00",""
"4131747","9.9392","0.0002","10.796","0.0002","32.3003","0.0004","90","","96.08","0.001","90","","3446.44","0.1","80","1","80","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C176 H184 N8 O16 -","8","1","","Liu, Qi-Sheng; Wang, De-Yin; Yang, Zhi-Jun; Luan, Yu-Xin; Yang, Jin-Fei; Li, Jiang-Fei; Pu, You-Ge; Ye, Mengchun","Ni-Al Bimetallic Catalyzed Enantioselective Cycloaddition of Cyclopropyl Carboxamide with Alkyne.","Journal of the American Chemical Society","2017","139","50","18150","18153","10.1021/jacs.7b09947","","x-ray","1.54184","CuKα","","0.0384","0.0365","","","0.0934","0.0945","","","","","","1.074","","","","has coordinates,has disorder","241915","2020-10-21","18:00:00",""
"4131768","13.4362","0.0005","10.8026","0.0004","28.5609","0.0008","90","","92.026","0.003","90","","4142.9","0.2","120","0.1","120","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H60 Bi2 N4 O2 S3 Si4 -","- C24 H60 Bi2 N4 O2 S3 Si4 -","- C96 H240 Bi8 N16 O8 S12 Si16 -","4","0.5","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0639","0.0498","","","0.1204","0.128","","","","","","1.081","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131967","11.6451","0.0007","8.0014","0.0004","22.6883","0.0012","90","","91.37","0.005","90","","2113.4","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H23 N5 O6 S2 -","- C18 H23 N5 O6 S2 -","- C72 H92 N20 O24 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0705","0.0594","","","0.167","0.1831","","","","","","1.048","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131980","17.884","0.0012","6.712","0.0004","19.8456","0.0014","90","","112.723","0.008","90","","2197.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H11 N2 O5 S -","- C10 H11 N2 O5 S -","- C80 H88 N16 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0357","0.0335","","","0.09","0.0917","","","","","","1.083","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4132091","43.47","0.003","39.035","0.003","58.398","0.005","90","","98.34","0.003","90","","98045","13","153","2","152.99","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C676.5 H419.5 K7 N157.25 O164 P8 -","- C676.615 H419.537 K7 N157.436 O164 P8 -","- C2706.46 H1678.15 K28 N629.743 O656 P32 -","4","0.5","","Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao","Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.","Journal of the American Chemical Society","2018","140","15","5248","5256","10.1021/jacs.8b01488","","","1.54178","CuKα","","0.2138","0.1407","","","0.3616","0.4381","","","","","","1.108","","","","has coordinates","242128","2020-10-21","18:00:00",""
"4132258","24.6748","0.0018","12.5778","0.0009","26.133","0.003","90","","116.649","0.0018","90","","7248.9","1.1","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C296 H376 O48 -","4","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.1188","0.0792","","","0.2159","0.2479","","","","","","1.047","","","","has coordinates,has disorder","242254","2020-10-21","18:00:00",""
"4132621","19.669","0.006","10.679","0.002","20.378","0.004","90","","117.285","0.007","90","","3804.1","1.6","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H13 B F10 S -","- C19 H13 B F10 S -","- C152 H104 B8 F80 S8 -","8","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.0876","0.0473","","","0.0969","0.111","","","","","","1.021","","","","has coordinates","242568","2020-10-21","18:00:00",""
"4132698","18.1594","0.0013","7.9412","0.0004","47.787","0.004","90","","90.245","0.006","90","","6891.2","0.8","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H66 Cl6 Co3 F18 N18 O6 -","- C48 H64 Cl6 Co3 F18 N18 O6 -","- C192 H256 Cl24 Co12 F72 N72 O24 -","4","0.5","","Yu, Meng; Bouley, Bailey S.; Xie, Da; Enriquez, José S; Que, Emily L.","<sup>19</sup>F PARASHIFT Probes for Magnetic Resonance Detection of H<sub>2</sub>O<sub>2</sub> and Peroxidase Activity.","Journal of the American Chemical Society","2018","140","33","10546","10552","10.1021/jacs.8b05685","","","1.54184","CuKα","","0.1163","0.071","","","0.1717","0.2056","","","","","","1.123","","","","has coordinates","242621","2020-10-21","18:00:00",""
"4133154","18.3741","0.00008","15.68602","0.00006","28.35948","0.00011","90","","92.4109","0.0004","90","","8166.44","0.06","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H51 Ba Cl N6 O13 -","- C35 H51 Ba Cl N6 O13 -","- C280 H408 Ba8 Cl8 N48 O104 -","8","1","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","x-ray","1.54184","CuKα","","0.0273","0.0264","","","0.07","0.0705","","","","","","1.036","","","","has coordinates,has disorder","242988","2020-10-21","18:00:00",""
"4133300","20.2541","0.0005","17.6079","0.0003","79.0504","0.0015","90","","96.729","0.002","90","","27997.7","1","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C68 H74 B F24 P2 Rh -","- C68 H74 B F24 P2 Rh -","- C1088 H1184 B16 F384 P32 Rh16 -","16","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0613","0.0533","","","0.1447","0.1538","","","","","","1.034","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133301","20.6397","0.0007","17.8","0.0005","77.042","0.002","90","","94.612","0.003","90","","28212.6","1.4","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C136 H154 B2 F48 P4 Rh2 -","- C136 H154 B2 F48 P4 Rh2 -","- C1088 H1232 B16 F384 P32 Rh16 -","8","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","","0.6889","synchrotron","","0.2238","0.158","","","0.3934","0.4456","","","","","","1.459","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133385","27.657","0.0007","7.6139","0.0003","35.2089","0.0013","90","","100.653","0.003","90","","7286.4","0.4","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","helically twisted kekulene 1","dinaphtho[1'',2'':6,7;1''',2''':6',7']diphenanthro[3,2-a:2',3'-j]anthracene","","- C57.26 H37.26 O0.26 -","- C57.263 H37.263 O0.263 -","- C458.104 H298.104 O2.104 -","8","1","","Nakakuki, Yusuke; Hirose, Takashi; Matsuda, Kenji","Synthesis of a Helical Analogue of Kekulene: A Flexible π-Expanded Helicene with Large Helical Diameter Acting as a Soft Molecular Spring.","Journal of the American Chemical Society","2018","140","45","15461","15469","10.1021/jacs.8b09825","","","0.71073","MoKα","","0.1024","0.0644","","","0.1702","0.1938","","","","","","1.042","","","","has coordinates,has disorder","243188","2020-10-21","18:00:00",""
"4133880","20.922","0.0004","11.5781","0.0001","23.8929","0.0004","90","","122.394","0.003","90","","4887.1","0.2","100","0.4","100","0.4","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H80 Cl N O18 V6 -","- C32 H80 Cl N O18 V6 -","- C128 H320 Cl4 N4 O72 V24 -","4","0.5","","Petel, Brittney E.; Meyer, Rachel L.; Maiola, Michela L.; Brennessel, William W.; Müller, Astrid M; Matson, Ellen M.","Site-Selective Halogenation of Polyoxovanadate Clusters: Atomically Precise Models for Electronic Effects of Anion Doping in VO2.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11874","","x-ray","1.54184","CuKα","","0.0463","0.0436","","","0.1224","0.1249","","","","","","1.057","","","","has coordinates,has disorder","246333","2020-10-21","18:00:00",""
"4133915","25.3806","0.0006","6.6166","0.0001","31.099","0.0008","90","","112.921","0.003","90","","4810.2","0.2","98","2","98","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C25 H34 B2 O4 -","- C25 H34 B2 O4 -","- C200 H272 B16 O32 -","8","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0561","0.0547","","","0.1191","0.12","","","","","","1.072","","","","has coordinates,has disorder","247535","2020-10-21","18:00:00",""
"4134202","9.4761","0.0005","25.927","0.0009","25.4632","0.0009","90","","97.891","0.004","90","","6196.7","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H14 Cl4 Cu2 F30 N6 O2 -","- C68 H14 Cl4 Cu2 F30 N6 O2 -","- C272 H56 Cl16 Cu8 F120 N24 O8 -","4","0.5","","Shimomura, Keito; Kai, Hiroto; Nakamura, Yuma; Hong, Yongseok; Mori, Shigeki; Miki, Koji; Ohe, Kouichi; Notsuka, Yusuke; Yamaoka, Yoshihisa; Ishida, Masatoshi; Kim, Dongho; Furuta, Hiroyuki","Bis-Metal Complexes of Doubly N-Confused Dioxohexaphyrins as Potential Near Infrared-II Photoacoustic Dyes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13475","","","0.71075","MoKα","","0.1302","0.0986","","","0.2325","0.2485","","","","","","1.157","","","","has coordinates,has disorder","248294","2020-10-21","18:00:00",""
"4134241","19.8661","0.0003","18.8637","0.0003","24.5531","0.0004","90","","104.684","0.001","90","","8900.7","0.2","109.7","0.5","109.7","0.5","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H34 N4 -","- C42 H34 N4 -","- C336 H272 N32 -","8","1","","Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang","Toward the synthesis of a highly strained hydrocarbon belt.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00112","","x-ray","1.54184","CuKα","","0.0591","0.0508","","","0.1409","0.1471","","","","","","1.036","","","","has coordinates,has disorder","248447","2020-10-21","18:00:00",""
"4134803","15.7416","0.0005","18.3691","0.0006","18.8001","0.0006","90","","98.056","0.003","90","","5382.6","0.3","170","0.15","170","0.15","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C69 H58 Cl2 O8 -","- C69 H58 Cl2 O8 -","- C276 H232 Cl8 O32 -","4","0.5","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.139","0.0853","","","0.2261","0.2763","","","","","","1.026","","","","has coordinates,has disorder","251220","2020-10-21","18:00:00",""
"4134894","12.8598","0.0008","29.261","0.0014","13.8247","0.0007","90","","103.98","0.006","90","","5048","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 Cu N O6 -","- C26 H20 Cu N O6 -","- C208 H160 Cu8 N8 O48 -","8","1","","Amombo Noa, Francoise M.; Svensson Grape, Erik; Brülls, Steffen M; Cheung, Ocean; Malmberg, Per; Inge, A. Ken; McKenzie, Christine J.; Mårtensson, Jerker; Ohrstrom, Lars","Metal-Organic Frameworks with Hexakis(4-carboxyphenyl)benzene - Extensions to Reticular Chemistry and Introducing Foldable Nets.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02984","","","1.54184","CuKα","","0.1225","0.1199","","","0.3179","0.3203","","","","","","1.09","","","","has coordinates","251765","2020-10-21","18:00:00",""
"4134968","18.7383","0.0003","11.5764","0.0003","22.1767","0.0005","90","","93.211","0.002","90","","4803.06","0.18","100.01","0.1","100.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","PTZ","","- C33 H21 N3 S -","- C33 H21 N3 S -","- C264 H168 N24 S8 -","8","1","","Usui, Ryosuke; Yamamoto, Katsuya; Okajima, Hajime; Mutoh, Katsuya; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi","Photochromic Radical Complexes That Show Heterolytic Bond Dissociation.","Journal of the American Chemical Society","2020","142","22","10132","10142","10.1021/jacs.0c02739","","x-ray","0.71073","MoKα","","0.0698","0.0547","","","0.1433","0.1545","","","","","","1.063","","","","has coordinates","257110","2020-10-21","18:00:00",""
"4135377","27.8962","0.0005","13.02525","0.00018","22.6848","0.0004","90","","100.909","0.0018","90","","8093.7","0.2","100","0.3","100","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H114 K2 N4 O12 -","- C90 H114 K2 N4 O12 -","- C360 H456 K8 N16 O48 -","4","0.5","","Gadjieva, Natalia A.; Szirmai, Péter; Sági, Olivér; Alemany, Pere; Bartholomew, Amymarie K.; Stone, Ilana; Conejeros, Sergio; Paley, Daniel W.; Hernández Sánchez, Raúl; Fowler, Brandon; Peurifoy, Samuel R.; Náfrádi, Bálint; Forró, László; Roy, Xavier; Batail, Patrick; Canadell, Enric; Steigerwald, Michael L.; Nuckolls, Colin","Intermolecular Resonance Correlates Electron Pairs Down a Supermolecular Chain: Antiferromagnetism in K-Doped p-Terphenyl","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05606","","x-ray","1.54184","CuKα","","0.048","0.0376","","","0.0904","0.0967","","","","","","1.009","","","","has coordinates,has disorder","259253","2020-11-25","23:44:06",""
"4300094","17.442","0.004","11.375","0.002","28.162","0.006","90","","93.54","0.03","90","","5577","2","140","2","140","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","(Me4N)[Co(PyPePS)2].0.5H2O","","","- C28 H29 Co N5 O2.5 S2 -","- C28 H29 Co N5 O2.5 S2 -","- C224 H232 Co8 N40 O20 S16 -","8","1","","Laurie A. Tyler; Juan C. Noveron; Marilyn M. Olmstead; Pradip K. Mascharak","Co(III) Complexes with Coordinated Carboxamido Nitrogens and Thiolato Sulfurs as Models for Co-Containing Nitrile Hydratase and Their Conversion to the Corresponding Sulfinato Species","Inorganic Chemistry","2000","39","","357","362","10.1021/ic990794m","","","0.71073","MoKα","","0.115","0.0588","","","0.1139","0.1388","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300169","13.274","0.003","18.655","0.004","14.114","0.003","90","","116","0.03","90","","3141.3","1.4","140","2","140","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H43 N4 O2 Pd -","- C35 H43 N4 O2 Pd -","- C140 H172 N16 O8 Pd4 -","4","0.5","","Pamela A. Lord; Marilyn M. Olmstead; Alan L. Balch","Redox Characteristics of Nickel and Palladium Complexes of the Open-Chain Tetrapyrrole Octaethylbilindione: A Biliverdin Model","Inorganic Chemistry","2000","39","","1128","1134","10.1021/ic9910209","","","0.71073","MoKα","","0.055","0.0419","","","0.0834","0.09","","","","","","1.032","","","","has coordinates","120081","2020-10-21","18:00:00",""
"4301259","19.424","0.002","27.132","0.003","30.071","0.003","90","","90.155","0.002","90","","15848","3","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C70 H75 Gd2 Mn N19 O15 -","- C50 H45 Gd2 Mn N9 O15 -","- C400 H360 Gd16 Mn8 N72 O120 -","8","1","","Christos Lampropoulos; Theocharis C. Stamatatos; Khalil A. Abboud; George Christou","Initial Use of Dioximate Ligands in 3d/4f Cluster Chemistry: Synthesis, Structure, and Magnetic Studies of an Unusual [GdIII2MnIVO]8+ Complex","Inorganic Chemistry","2009","48","","429","431","10.1021/ic802005a","","","0.71073","MoKα","","0.2068","0.0887","","","0.1976","0.2304","","","","","","0.849","","","","has coordinates,has disorder","179050","2020-10-21","18:00:00",""
"4301517","10.0792","0.0006","11.9676","0.0005","24.9148","0.0012","90","","89.467","0.004","90","","3005.2","0.3","293","2","293","2","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 Cu N12 O3 -","- C26 H16 Cu N12 O3 -","- C104 H64 Cu4 N48 O12 -","4","0.5","","Fatima Setifi; Samia Benmansour; Mathieu Marchivie; Gaëlle Dupouy; Smail Triki; Jean Sala-Pala; Jean-Yves Salaün; Carlos J. Gómez-García; Sébastien Pillet; Claude Lecomte; Eliseo Ruiz","Magnetic Bistability and Thermochromism in a Molecular CuII Chain","Inorganic Chemistry","2009","48","","1269","1271","10.1021/ic802292s","","x-ray","0.71073","MoKα","","0.0417","0.0374","","","0.0949","0.0984","","","","","","1.066","","","","has coordinates,has disorder","179053","2020-10-21","18:00:00",""
"4301518","10.1105","0.0005","11.8149","0.0006","24.9214","0.0012","90","","91.839","0.004","90","","2975.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 Cu N12 O3 -","- C26 H16 Cu N12 O3 -","- C104 H64 Cu4 N48 O12 -","4","0.5","","Fatima Setifi; Samia Benmansour; Mathieu Marchivie; Gaëlle Dupouy; Smail Triki; Jean Sala-Pala; Jean-Yves Salaün; Carlos J. Gómez-García; Sébastien Pillet; Claude Lecomte; Eliseo Ruiz","Magnetic Bistability and Thermochromism in a Molecular CuII Chain","Inorganic Chemistry","2009","48","","1269","1271","10.1021/ic802292s","","x-ray","0.71073","MoKα","","0.0409","0.0351","","","0.0874","0.0905","","","","","","1.081","","","","has coordinates,has disorder","179053","2020-10-21","18:00:00",""
"4301519","10.1192","0.0016","11.7954","0.0012","24.897","0.002","90","","91.787","0.011","90","","2970.3","0.6","40","2","40","2","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 Cu N12 O3 -","- C26 H16 Cu N12 O3 -","- C104 H64 Cu4 N48 O12 -","4","0.5","","Fatima Setifi; Samia Benmansour; Mathieu Marchivie; Gaëlle Dupouy; Smail Triki; Jean Sala-Pala; Jean-Yves Salaün; Carlos J. Gómez-García; Sébastien Pillet; Claude Lecomte; Eliseo Ruiz","Magnetic Bistability and Thermochromism in a Molecular CuII Chain","Inorganic Chemistry","2009","48","","1269","1271","10.1021/ic802292s","","x-ray","0.71073","MoKα","","0.0987","0.0661","","","0.1516","0.1663","","","","","","1.074","","","","has coordinates,has disorder","179053","2020-10-21","18:00:00",""
"4303552","12.308","0.003","37.403","0.008","12.509","0.003","90","","97.57","0.03","90","","5708","2","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","Nicotinic acid tetraethylene glycol Copper Iodide Cluster","","","- C64 H32 Cu8 I8 N8 O24 -","- C64 H32 Cu8 I8 N8 O24 -","- C128 H64 Cu16 I16 N16 O48 -","2","0.25","","Fabienne Gschwind; Olha Sereda; Katharina M. Fromm","Multitopic Ligand Design: A Concept for Single-Source Precursors","Inorganic Chemistry","2009","48","","10535","10547","10.1021/ic9009064","","","0.71073","MoKα","","0.218","0.1162","","","0.2722","0.323","","","","","","1.015","","","","has coordinates,has disorder","179073","2020-10-21","18:00:00",""
"4303555","22.733","0.005","10.792","0.002","43.094","0.009","90","","104.06","0.03","90","","10256","4","200","2","200","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","asymteric nicotinic acid tetra ethylene glycol barium copper iodide","","","- C60 H78 Ba2 Cl6 Cu3 I7 N4 O24 -","- C62 H96 Ba2 Cl12 Cu3 I7 N4 O24 -","- C248 H384 Ba8 Cl48 Cu12 I28 N16 O96 -","4","0.5","","Fabienne Gschwind; Olha Sereda; Katharina M. Fromm","Multitopic Ligand Design: A Concept for Single-Source Precursors","Inorganic Chemistry","2009","48","","10535","10547","10.1021/ic9009064","","","0.71073","MoKα","","0.1259","0.0897","","","0.2206","0.2496","","","","","","1.056","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4304337","25.3061","0.0011","15.0474","0.0007","39.377","0.002","90","","95.216","0.001","90","","14932.3","1.2","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Gd2Sc1N@C80(Ih) . NiOEP . 2 C6H6","","- C128 H56 Gd2 N5 Ni Sc -","- C128 H56 Gd2 N5 Ni Sc -","- C1024 H448 Gd16 N40 Ni8 Sc8 -","8","1","","Steven Stevenson; Christopher J. Chancellor; Hon Man Lee; Marilyn M. Olmstead; Alan L. Balch","Internal and External Factors in the Structural Organization in Cocrystals of the Mixed-Metal Endohedrals (GdSc2N@Ih-C80, Gd2ScN@Ih-C80, and TbSc2N@Ih-C80) and Nickel(II) Octaethylporphyrin","Inorganic Chemistry","2008","47","","1420","1427","10.1021/ic701824q","","","0.71073","MoKα","","0.0443","0.0302","","","0.0668","0.0712","","","","","","0.95","","","","has coordinates,has disorder","179081","2020-10-21","18:00:00",""
"4304854","22.5086","0.0019","7.2797","0.0006","14.8629","0.0013","90","","90.244","0.002","90","","2435.4","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Ga O12 Rb2 Si4 Y -","- Ga O12 Rb2 Si4 Y -","- Ga8 O96 Rb16 Si32 Y8 -","8","1","","Cheng-Shiuan Lee; Yueh-Chun Liao; Jung-Tsung Hsu; Sue-Lein Wang; Kwang-Hwa Lii","Rb2REGaSi4O12 (RE = Y, Eu, Gd, Tb): Luminescent Mixed-Anion Double Layer Silicates Containing Chains of Edge-Sharing REO7 Pentagonal Bipyramids","Inorganic Chemistry","2008","47","","1910","1912","10.1021/ic7024445","","","0.71073","MoKα","","0.0327","0.0253","","","0.0674","0.069","","","","","","1.012","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304855","22.555","0.002","7.3428","0.0007","14.9288","0.0014","90","","90.137","0.002","90","","2472.5","0.4","293","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Eu Ga O12 Rb2 Si4 -","- Eu Ga O12 Rb2 Si4 -","- Eu8 Ga8 O96 Rb16 Si32 -","8","1","","Cheng-Shiuan Lee; Yueh-Chun Liao; Jung-Tsung Hsu; Sue-Lein Wang; Kwang-Hwa Lii","Rb2REGaSi4O12 (RE = Y, Eu, Gd, Tb): Luminescent Mixed-Anion Double Layer Silicates Containing Chains of Edge-Sharing REO7 Pentagonal Bipyramids","Inorganic Chemistry","2008","47","","1910","1912","10.1021/ic7024445","","","0.71073","MoKα","","0.0326","0.0293","","","0.0786","0.0804","","","","","","1.035","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304856","22.533","0.003","7.3349","0.0008","14.9175","0.0017","90","","90.285","0.002","90","","2465.5","0.5","293","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Ga Gd O12 Rb2 Si4 -","- Ga Gd O12 Rb2 Si4 -","- Ga8 Gd8 O96 Rb16 Si32 -","8","1","","Cheng-Shiuan Lee; Yueh-Chun Liao; Jung-Tsung Hsu; Sue-Lein Wang; Kwang-Hwa Lii","Rb2REGaSi4O12 (RE = Y, Eu, Gd, Tb): Luminescent Mixed-Anion Double Layer Silicates Containing Chains of Edge-Sharing REO7 Pentagonal Bipyramids","Inorganic Chemistry","2008","47","","1910","1912","10.1021/ic7024445","","","0.71073","MoKα","","0.0311","0.0297","","","0.0803","0.0812","","","","","","1.081","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304857","22.5451","0.0014","7.3122","0.0005","14.8809","0.0009","90","","90.263","0.001","90","","2453.2","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Ga O12 Rb2 Si4 Tb -","- Ga O12 Rb2 Si4 Tb -","- Ga8 O96 Rb16 Si32 Tb8 -","8","1","","Cheng-Shiuan Lee; Yueh-Chun Liao; Jung-Tsung Hsu; Sue-Lein Wang; Kwang-Hwa Lii","Rb2REGaSi4O12 (RE = Y, Eu, Gd, Tb): Luminescent Mixed-Anion Double Layer Silicates Containing Chains of Edge-Sharing REO7 Pentagonal Bipyramids","Inorganic Chemistry","2008","47","","1910","1912","10.1021/ic7024445","","","0.71073","MoKα","","0.0253","0.0225","","","0.0572","0.0586","","","","","","1.06","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4305819","13.5854","0.001","18.1464","0.0013","18.5411","0.0013","90","","104.632","0.001","90","","4422.6","0.6","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23.5 H15 Cl2 N4 O3 Re -","- C23.5 H14 Cl2 N4 O3 Re -","- C188 H112 Cl16 N32 O24 Re8 -","8","1","","Marina K. Kuimova; Wassim Z. Alsindi; Alexander J. Blake; E. Stephen Davies; Daniele J. Lampus; Pavel Matousek; Jonathan McMaster; Anthony W. Parker; Michael Towrie; Xue-Zhong Sun; Claire Wilson; Michael W. George","Probing the Solvent Dependent Photophysics of fac-[Re(CO)3(dppz-X2)Cl] (dppz-X2= 11,12-X2-dipyrido[3,2-a:2',3'-c]phenazine); X = CH3, H, F, Cl, CF3)","Inorganic Chemistry","2008","47","","9857","9869","10.1021/ic800753f","","","0.71073","MoKα","","0.0303","0.0265","","","0.0741","0.076","","","","","","0.925","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4305971","18.2699","0.001","11.2384","0.0006","18.6432","0.0009","90","","114.51","0.006","90","","3483","0.4","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H40 Mn3 N13 O2 S5 -","- C21 H40 Mn3 N13 O2 S5 -","- C84 H160 Mn12 N52 O8 S20 -","4","0.5","","Jonathan P. Hill; Humberto Palza; Sher Alam; Katsuhiko Ariga; Amy Lea Schumacher; Francis D'Souza; Christopher E. Anson; Annie K. Powell","Decomposition of Dinuclear Manganese Complexes for the Preparation of Nanostructured Oxide Materials","Inorganic Chemistry","2008","47","","8306","8314","10.1021/ic8008915","","","0.71073","MoKα","","0.0581","0.0536","","","0.1397","0.1425","","","","","","1.092","","","","has coordinates,has disorder","179097","2020-10-21","18:00:00",""
"4306640","16.998","0.002","9.1789","0.0009","17.351","0.002","90","","101.381","0.003","90","","2653.9","0.5","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C11 H23 Li N2 O -","- C11 H23 Li N2 O -","- C88 H184 Li8 N16 O8 -","8","1","","Saba Javed; David M. Hoffman","Synthesis of Zinc Hydrazonide Complexes","Inorganic Chemistry","2008","47","","11984","11992","10.1021/ic801451v","","","0.71073","MoKα","","0.1011","0.0753","","","0.196","0.2199","","","","","","0.968","","","","has coordinates,has disorder","179104","2020-10-21","18:00:00",""
"4307097","26.0171","0.0017","13.5114","0.0008","10.084","0.0007","90","","119.311","0.006","90","","3091","0.4","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","gadolinium metaphosphate","","","- Gd O9 P3 -","- Gd O9 P3 -","- Gd16 O144 P48 -","16","2","","Henning A. Höppe; Stefan J. Sedlmaier","Crystal Structures of Incommensurately Modulated Ln(PO3)3 (Ln = Tb-Yb) and Commensurate Gd(PO3)3 and Lu(PO3)3","Inorganic Chemistry","2007","46","","3467","3474","10.1021/ic0616030","","","0.71073","MoKα","","0.065","0.0386","","","0.0857","0.0919","","","","","","0.889","","","","has coordinates","179108","2020-10-21","18:00:00",""
"4307153","30.38","0.04","10.368","0.014","43.3","0.06","90","","94.66","0.03","90","","13594","3","223","2","223","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C70 H58 Cl Co F8 Fe N8 O7 -","- C62 H38 Cl Co F8 Fe N8 O5 -","- C496 H304 Cl8 Co8 F64 Fe8 N64 O40 -","8","1","","Eduardo E. Chufán; Claudio N. Verani; Simona C. Puiu; Eva Rentschler; Ulrich Schatzschneider; Christopher Incarvito; Arnold L. Rheingold; Kenneth D. Karlin","Generation and Characterization of [(P)M-(X)-Co(TMPA)]n+ Assemblies; P = Porphyrinate, M = FeIII and CoIII, X = O2-, OH-, O22-, and TMPA = Tris(2-pyridylmethyl)amine","Inorganic Chemistry","2007","46","","3017","3026","10.1021/ic061686k","","","0.71073","MoKα","","0.0988","0.0844","","","0.2291","0.2347","","","","","","1.651","","","","has coordinates","179109","2020-10-21","18:00:00",""
"4308164","22.199","0.002","8.7307","0.0005","28.982","0.002","90","","98.407","0.002","90","","5556.7","0.7","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H26 Cl2 Hg N4 O8 S2 -","- C23 H26 Cl2 Hg N4 O8 S2 -","- C184 H208 Cl16 Hg8 N32 O64 S16 -","8","1","","M. Carla Aragoni; Massimiliano Arca; Andrea Bencini; Alexander J. Blake; Claudia Caltagirone; Greta De Filippo; Francesco A. Devillanova; Alessandra Garau; Thomas Gelbrich; Michael B. Hursthouse; Francesco Isaia; Vito Lippolis; Marta Mameli; Palma Mariani; Barbara Valtancoli; Claire Wilson","Tuning the Selectivity/Specificity of Fluorescent Metal Ion Sensors Based on N2S2 Pyridine-Containing Macrocyclic Ligands by Changing the Fluorogenic Subunit: Spectrofluorimetric and Metal Ion Binding Studies","Inorganic Chemistry","2007","46","","4548","4559","10.1021/ic070169e","","","0.71073","MoKα","","0.0352","0.0329","","","0.0864","0.0876","","","","","","0.99","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308750","22.002","0.005","13.385","0.003","27.273","0.007","90","","90.178","0.006","90","","8032","3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","tmb","","","- C43.5 H30 Cl3 N9 -","- C43.5 H29 Cl3 N9 -","- C348 H232 Cl24 N72 -","8","1","","Qin-De Liu; Wen-Li Jia; Suning Wang","Blue Luminescent 2-(2'-Pyridyl)benzimidazole Derivative Ligands and Their Orange Luminescent Mononuclear and Polynuclear Organoplatinum(II) Complexes","Inorganic Chemistry","2005","44","","1332","1343","10.1021/ic0487530","","","0.71073","MoKα","","0.1442","0.0686","","","0.1878","0.2225","","","","","","0.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309179","11.3706","0.001","20.3114","0.0018","15.2401","0.0019","90","","100.201","0.002","90","","3464.1","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H24 Cd N6 O6 -","- C40 H24 Cd N6 O6 -","- C160 H96 Cd4 N24 O24 -","4","0.5","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.71073","MoKα","","0.0482","0.0396","","","0.1037","0.1074","","","","","","1.063","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309180","10.6133","0.0006","20.5652","0.0011","14.7013","0.0012","90","","98.637","0.001","90","","3172.4","0.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H14 Cu F12 N2 O4 -","- C30 H14 Cu F12 N2 O4 -","- C120 H56 Cu4 F48 N8 O16 -","4","0.5","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.71073","MoKα","","0.0402","0.0354","","","0.0964","0.098","","","","","","1.034","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309331","19.158","0.017","11.432","0.01","30.15","0.03","90","","107.148","0.017","90","","6310","10","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C31 H34 Fe2 N2 O5.5 S2 -","- C31 H34 Fe2 N2 O5.5 S2 -","- C248 H272 Fe16 N16 O44 S16 -","8","1","","Jesse W. Tye; Jonghyuk Lee; Hsiao-Wan Wang; Rosario Mejia-Rodriguez; Joseph H. Reibenspies; Michael B. Hall; Marcetta Y. Darensbourg","Dual Electron Uptake by Simultaneous Iron and Ligand Reduction in an N-Heterocyclic Carbene Substituted [FeFe] Hydrogenase Model Compound","Inorganic Chemistry","2005","44","","5550","5552","10.1021/ic050402d","","","0.71073","MoKα","","0.182","0.072","","","0.1426","0.1858","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4309355","31.883","0.003","9.2627","0.0008","18.7383","0.0015","90","","96.359","0.001","90","","5499.8","0.8","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","DmpNAsCl Trimer","","","- C24 H27 As3 Cl3 N3 -","- C24 H27 As3 Cl3 N3 -","- C192 H216 As24 Cl24 N24 -","8","1","","Neil Burford; Jeff C. Landry; Michael J. Ferguson; Robert McDonald","Synthesis of cyclo-2,4,6-Triarsa-1,3,5-triazanes from cyclo-2,4-Diarsa-1,3-diazanes Demonstrating the General Influence of Substituent Steric Strain on the Relative Stability of Pnictazane Oligomers","Inorganic Chemistry","2005","44","","5897","5902","10.1021/ic050532m","","x-ray","0.71073","MoKα","","0.0648","0.0423","","","0.099","0.11","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309623","21.1694","0.0016","10.514","0.0008","21.321","0.003","90","","104.496","0.001","90","","4594.4","0.8","300","2","300","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H48 N8 O6 Re2 -","- C44 H48 N8 O6 Re2 -","- C176 H192 N32 O24 Re8 -","4","0.5","","Michael Q. Dequeant; Robert McGuire; David R. McMillin; Tong Ren","One-Dimensional Supramolecular Assemblies Based on a Re2(III,III) Synthon and Their Solid-State Phosphorescence","Inorganic Chemistry","2005","44","","6521","6523","10.1021/ic051070f","","","0.71073","MoKα","","0.0827","0.0398","","","0.0709","0.0817","","","","","","1","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4310401","21.3316","0.0005","9.6526","0.0002","26.18","0.0006","90","","96.493","0.001","90","","5356","0.2","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H62 F6 N6 O6 Pt2 S2 -","- C48 H62 F6 N6 O6 Pt2 S2 -","- C192 H248 F24 N24 O24 Pt8 S8 -","4","0.5","","Hershel Jude; Jeanette A. Krause Bauer; William B. Connick","Tuning the Electronic Structures of Platinum(II) Complexes with a Cyclometalating Aryldiamine Ligand","Inorganic Chemistry","2004","43","","725","733","10.1021/ic0346329","","","0.71073","MoKα","","0.0758","0.0451","","","0.0776","0.086","","","","","","1.143","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4311204","15.9426","0.0019","9.6982","0.0008","16.4515","0.0019","90","","98.977","0.014","90","","2512.5","0.5","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C25 H16 N9 Pt Tl -","- C25 H16 N9 Pt Tl -","- C100 H64 N36 Pt4 Tl4 -","4","0.5","","Guibin Ma; Mikael Kritikos; Mikhail Maliarik; Julius Glaser","Modification of Binuclear Pt-Tl Bonded Complexes by Attaching Bipyridine Ligands to the Thallium Site","Inorganic Chemistry","2004","43","","4328","4340","10.1021/ic034571e","","","0.71073","MoKα","","0.0391","0.0187","","","0.0417","0.0459","","","","","","0.828","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4311473","14.665","0.005","18.429","0.006","21.46","0.007","90","","93.221","0.007","90","","5791","3","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Fe(PaNPy3)(NO)](ClO4)2.1.75CH3CN","","","- C24.5 H27.25 Cl2 Fe N7.75 O10 -","- C24.5 H22 Cl2 Fe N7.75 O10 -","- C196 H176 Cl16 Fe8 N62 O80 -","8","1","","Raman K. Afshar; Apurba K. Patra; Marilyn M. Olmstead; Pradip K. Mascharak","Syntheses, Structures, and Reactivities of {Fe-NO}6 Nitrosyls Derived from Polypyridine-Carboxamide Ligands: Photoactive NO-Donors and Reagents for S-Nitrosylation of Alkyl Thiols","Inorganic Chemistry","2004","43","","5736","5743","10.1021/ic040057c","","","0.71073","MoKα","","0.0816","0.0683","","","0.1917","0.1998","","","","","","1.118","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4311932","27.581","0.002","30.981","0.002","28.825","0.002","90","","95.741","0.001","90","","24507","3","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","Bis(nitrilotriethoxy)-benzylidenedi-3,5-di-tert-butyl-2-phenoxy)dititanium(IV) tetramer dipentane octasesqui(dichloromethane) solvate","","","- C206.5 H321 Cl17 N8 O32 Ti8 -","- C206.5 H321 Cl17 N8 O32 Ti8 -","- C826 H1284 Cl68 N32 O128 Ti32 -","4","0.5","","Aaron G. Maestri; Seth N. Brown","Titanatranes Derailed: Static and Dynamic Triethanolamine Slippage Induced by Polyphenoxide Chelation","Inorganic Chemistry","2004","43","","6995","7004","10.1021/ic0492901","","","0.71073","MoKα","","0.1171","0.0759","","0.2639","0.233","","","","1","1.135","1.135","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312109","21.308","0.005","17.396","0.003","23.274","0.011","90","","97.47","0.02","90","","8554","5","173","2","173","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C32 H88 Cl4 N32 Ni4 O8 Pt2 S8 -","- C32 H82 Cl4 N32 Ni4 O8.02 Pt2 S8 -","- C128 H328 Cl16 N128 Ni16 O32.08 Pt8 S32 -","4","0.5","","Pilar Diaz; D. Michael P. Mingos; Ramón Vilar; Andrew J. P. White; David J. Williams","Anion-Templated Synthesis of Metallacages as a Means for the Colorimetric Detection of Chlorides","Inorganic Chemistry","2004","43","","7597","7604","10.1021/ic049508j","","","0.71073","MoKα","","0.114","0.064","","0.4504","0.1466","","","","1.061","1.148","1.148","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312497","21.238","0.005","13.301","0.005","23.594","0.005","90","0.005","91.801","0.005","90","0.005","6662","3","293","2","293","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C26 H30 F2 Fe2 N3 O4 P5 S2 -","- C26 H30 F2 Fe2 N3 O4 P5 S2 -","- C208 H240 F16 Fe16 N24 O32 P40 S16 -","8","1","","K. Muralidharan; Anil J. Elias","Preparation of the First Examples of Ansa-Spiro Substituted Fluorophosphazenes and Their Structural Studies: Analysis of C-H...F-P Weak Interactions in Substituted Fluorophosphazenes","Inorganic Chemistry","2003","42","","7535","7543","10.1021/ic034712c","","","0.71069","MoKα","","0.1367","0.0535","","","0.0789","0.0895","","","","","","1.024","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4312523","14.5773","0.0003","19.4711","0.0005","24.8678","0.0005","90","","103.65","0.0013","90","","6859","0.3","150","1","150","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H34.5 Cl N6.5 Ni O6 -","- C35 H34.5 Cl N6.5 Ni O6 -","- C280 H276 Cl8 N52 Ni8 O48 -","8","1","","Magdalena M. Makowska-Grzyska; Ewa Szajna; Crystal Shipley; Atta M. Arif; Michael H. Mitchell; Jason A. Halfen; Lisa M. Berreau","First Row Divalent Transition Metal Complexes of Aryl-Appended Tris((pyridyl)methyl)amine Ligands: Syntheses, Structures, Electrochemistry, and Hydroxamate Binding Properties","Inorganic Chemistry","2003","42","","7472","7488","10.1021/ic034810y","","","0.71073","MoKα","","0.0641","0.0415","","","0.0922","0.1038","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4312593","7.2892","0.001","12.7648","0.0019","14.066","0.002","90","","98.106","0.017","90","","1295.7","0.3","170","2","170","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C8 H10 K2 N2 Zn -","- C8 H10 K2 N2 Zn -","- C32 H40 K8 N8 Zn4 -","4","0.5","","Ulrich Cremer; Ingo Pantenburg; Uwe Ruschewitz","The Diammoniates of Dipotassiumtetraethinylozincate and -cadmate: K~2~M(C~2~H)~4~ 2NH~3~ (M = Zn, Cd)","Inorganic Chemistry","2003","42","","7716","7718","10.1021/ic034629p","","","0.71073","MoKα","","0.0347","0.0233","","","0.0502","0.0529","","","","","","0.933","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312594","7.444","0.0011","12.619","0.003","14.304","0.002","90","","98.939","0.012","90","","1327.3","0.4","170","2","170","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C8 H10 Cd K2 N2 -","- C8 H10 Cd K2 N2 -","- C32 H40 Cd4 K8 N8 -","4","0.5","","Ulrich Cremer; Ingo Pantenburg; Uwe Ruschewitz","The Diammoniates of Dipotassiumtetraethinylozincate and -cadmate: K~2~M(C~2~H)~4~ 2NH~3~ (M = Zn, Cd)","Inorganic Chemistry","2003","42","","7716","7718","10.1021/ic034629p","","","0.71073","MoKα","","0.0353","0.0221","","0.0453","0.0376","","","","1.05","0.957","0.957","","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312722","16.592","0.0008","7.6238","0.0002","35.4976","0.0013","90","","96.54","0.002","90","","4461","0.3","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H26 Eu N O17 -","- C14 H5 Eu N O17 -","- C112 H40 Eu8 N8 O136 -","8","1","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams","Attempted Syntheses of Lanthanide(III) Complexes of the Anisole- and Anilinosquarate Ligands","Inorganic Chemistry","2003","42","","8344","8352","10.1021/ic034922p","","","0.71073","MoKα","","0.068","0.0492","","0.1364","0.1211","","","","1.043","1.082","1.082","","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312723","16.5761","0.0002","7.6056","0.0001","35.489","0.0005","90","","96.562","0.001","90","","4444.83","0.1","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H26 Gd N O17 -","- C14 H5 Gd N O17 -","- C112 H40 Gd8 N8 O136 -","8","1","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams","Attempted Syntheses of Lanthanide(III) Complexes of the Anisole- and Anilinosquarate Ligands","Inorganic Chemistry","2003","42","","8344","8352","10.1021/ic034922p","","","0.71073","MoKα","","0.0422","0.033","","0.0885","0.0818","","","","1.087","1.115","1.115","","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312724","16.5424","0.0006","7.5852","0.0003","35.4632","0.0014","90","","96.457","0.002","90","","4421.6","0.3","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H26 N O17 Tb -","- C14 H5 N O17 Tb -","- C112 H40 N8 O136 Tb8 -","8","1","","Patrice M. T. Piggot; Lincoln A. Hall; Andrew J. P. White; David J. Williams","Attempted Syntheses of Lanthanide(III) Complexes of the Anisole- and Anilinosquarate Ligands","Inorganic Chemistry","2003","42","","8344","8352","10.1021/ic034922p","","","0.71073","MoKα","","0.055","0.0393","","0.1027","0.0929","","","","1.068","1.116","1.116","","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312969","8.62","0.004","10.482","0.003","24.86","0.009","90","","99.45","0.04","90","","2215.7","1.5","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","[Mn(2,2'-bipy)(4-Cl-ph-NCN)2]n","","","- C24 H16 Cl2 Mn N6 -","- C24 H16 Cl2 Mn N6 -","- C96 H64 Cl8 Mn4 N24 -","4","0.5","","Albert Escuer; Núria Sanz; Ramon Vicente; Franz A. Mautner","Molecular, 1D, and 2D Systems Built from Phenylcyanamido Ligands. Syntheses, Crystal Structures, and Characterization of Their Magnetic Properties","Inorganic Chemistry","2003","42","","541","551","10.1021/ic025931l","","","0.71069","MoKα","","0.053","0.0426","","0.1256","0.1043","","","","1.069","1.074","1.074","","","","","has coordinates","179181","2020-10-21","18:00:00",""
"4313379","22.689","0.011","11.922","0.001","25.835","0.002","90","","109.06","0.01","90","","6605","3","293","2","294","2","","","","","","","synthesis as described","7","I 1 2/a 1","-I 2ya","15","","1,10-phenanthroline, 1,8-bis(2-pyridyl)-3,6-dithioctane ruthenium (II) dichloride trihemihydrated","","- C28 H28 Cl2 N4 O3.5 Ru S2 -","- C28 H28 Cl2 N4 O3.5 Ru S2 -","- C224 H224 Cl16 N32 O28 Ru8 S16 -","8","1","","Luis A. Ortiz-Frade; Lena Ruiz-Ramírez; Ignacio González; Armando Marín-Becerra; Manuel Alcarazo; José G. Alvarado-Rodriguez; Rafael Moreno-Esparza","Synthesis and Spectroelectrochemical Studies of Mixed Heteroleptic Chelate Complexes of Ruthenium(II) with 1,8-Bis(2-pyridyl)-3,6-dithiaoctane (pdto) and Substituted 1,10-Phenanthrolines","Inorganic Chemistry","2003","42","","1825","1834","10.1021/ic025849q","","x-ray","0.71073","MoKα","","0.0792","0.0448","","","0.1293","0.1418","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4313714","21.109","0.002","8.8489","0.0015","41.185","0.006","90","","102.089","0.015","90","","7522.4","1.9","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C43 H48 N4 -","- C43 H48 N4 -","- C344 H384 N32 -","8","1","","George J. P. Britovsek; Vernon C. Gibson; Olivier D. Hoarau; Stefan K. Spitzmesser; Andrew J. P. White; David J. Williams","Iron and Cobalt Ethylene Polymerization Catalysts: Variations on the Central Donor","Inorganic Chemistry","2003","42","","3454","3465","10.1021/ic034040q","","","0.71073","MoKα","","0.0918","0.0535","","0.1691","0.1286","","","","1.038","1.103","1.103","","","","","has coordinates,has disorder","179202","2020-10-21","18:00:00",""
"4313767","31.474","0.0017","6.7399","0.0004","25.7722","0.0014","90","","100.334","0.001","90","","5378.4","0.5","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 N24 O4 -","- C54 H54 N24 O4 -","- C216 H216 N96 O16 -","4","0.5","","Daniel L. Reger; Radu F. Semeniuc; Ioan Silaghi-Dumitrescu; Mark D. Smith","Influences of Changes in Multitopic Tris(pyrazolyl)methane Ligand Topology on Silver(I) Supramolecular Structures","Inorganic Chemistry","2003","42","","3751","3764","10.1021/ic034039r","","","0.71073","MoKα","","0.0647","0.0546","","","0.1235","0.1281","","","","","","1.128","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313876","24.288","0.005","17.01","0.005","25.114","0.005","90","0.005","114.37","0.005","90","0.005","9451","4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50 H47 Cl N5 O3 P2 Rh -","- C50 H47 Cl N5 O3 P2 Rh -","- C400 H376 Cl8 N40 O24 P16 Rh8 -","8","1","","Indrani Pal; Swati Dutta; Falguni Basuli; Savitha Goverdhan; Shie-Ming Peng; Gene-Hsiang Lee; Samaresh Bhattacharya","Unprecedented Chemical Transformation of Semicarbazones Mediated by Wilkinson's Catalyst","Inorganic Chemistry","2003","42","","4338","4345","10.1021/ic034247j","","","0.71069","MoKα","","0.1825","0.086","","","0.1666","0.2001","","","","","","1.086","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4314154","11.1064","0.001","12.2524","0.001","13.6098","0.001","90","","92.925","0.01","90","","1849.6","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C9 H18 Gd2 O18 -","- C9 H14 Gd2 O18 -","- C36 H56 Gd8 O72 -","4","0.5","","María Hernández-Molina; Catalina Ruiz-Pérez; Trinidad López; Francesc Lloret; Miguel Julve","Ferromagnetic Coupling in the Three-Dimensional Malonato-Bridged Gadolinium(III) Complex [Gd2(mal)3(H2O)6] (H2mal = Malonic Acid)","Inorganic Chemistry","2003","42","","5456","5458","10.1021/ic034175w","","","0.71069","MoKα","","0.0251","0.02","","","0.0527","0.0544","","","","","","1.111","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314442","24.7467","0.0019","26.8921","0.0015","36.722","0.003","90","","95.356","0.01","90","","24331","3","193","2","193","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C258 H243 Ag14 Cl2 O6 P8 Se12.5 Sn -","- C258 H243 Ag14.0282 Cl2 O6 P8 Se12.5376 Sn -","- C1032 H972 Ag56.1128 Cl8 O24 P32 Se50.1504 Sn4 -","4","0.5","","Hari Pada Nayek; Werner Massa; Stefanie Dehnen","Presence or Absence of a Central Se Atom in Silver Selenide/Selenolate Clusters with Halite Topology: Syntheses and Properties of [(Ph3PAg)8Ag6(μ6-Se)1-x/2(SePh)12]x+ (x= 0, 1)","Inorganic Chemistry","2010","49","","144","149","10.1021/ic901629k","","","0.71073","MoKα","","0.0772","0.0443","","","0.101","0.108","","","","","","0.837","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314953","21.5514","0.0011","14.9202","0.0007","27.3878","0.0011","90","","110.599","0.004","90","","8243.5","0.7","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C62 H108 N2 O24 P4 Zn4 -","- C62 H108 N2 O24 P4 Zn4 -","- C248 H432 N8 O96 P16 Zn16 -","4","0.5","","Ramaswamy Murugavel; Subramaniam Kuppuswamy; Nayanmoni Gogoi; Alexander Steiner","Assembling Discrete D4R Zeolite SBUs through Noncovalent Interactions. 3.(1) Mediation by Butanols and 1,2-Bis(dimethylamino)ethane","Inorganic Chemistry","2010","49","","2153","2162","10.1021/ic901932r","","","0.71073","MoKα","","0.0501","0.0325","","","0.0823","0.0932","","","","","","0.966","","","","has coordinates,has disorder","179229","2020-10-21","18:00:00",""
"4315394","14.9823","0.0009","27.0746","0.0015","30.441","0.002","90","","96.119","0.004","90","","12277.7","1.3","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C68 H59 B2 F8 P3 Pd3 -","- C68 H59 B1.5 F6 P3 Pd3 -","- C544 H472 B12 F48 P24 Pd24 -","8","1","","Dominic C. Babbini; Frank L. Mulligan; Hannah R. Schulhauser; Tara C. Sweigart; Gary S. Nichol; Stephanie K. Hurst","Effect of Pnictogen Ligand Substitution on a Tripalladium Ditropylium Core","Inorganic Chemistry","2010","49","","4307","4312","10.1021/ic100151x","","","0.7749","synchrotron","","0.0835","0.0482","","","0.1201","0.133","","","","","","0.942","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4318332","14.431","0.003","13.298","0.003","28.605","0.006","90","","94.4","0.03","90","","5473","2","180","2","180","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H40 Cl2 N4 V -","- C20 H40 Cl2 N4 V -","- C160 H320 Cl16 N32 V8 -","8","1","","Christian Lorber; Robert Choukroun; Bruno Donnadieu","Synthesis and Structure of a Series of New d1-Aryl Imido-Vanadium(IV) Complexes Stabilized by N-Donor Ligands","Inorganic Chemistry","2002","41","","4217","4226","10.1021/ic020312y","","","0.71073","MoKα","","0.0504","0.0403","","","0.1052","0.11","","","","","","1.047","","","","has coordinates,has disorder","179263","2020-10-21","18:00:00",""
"4318505","18.315","0.002","8.5166","0.0009","20.494","0.003","90","","104.042","0.002","90","","3101.2","0.7","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H12 Cu N4 O7 -","- C13 H12 Cu N4 O7 -","- C104 H96 Cu8 N32 O56 -","8","1","","Md. Badruz Zaman; Mark D. Smith; Delia M. Ciurtin; Hans-Conrad zur Loye","New Cd(II)-, Co(II)-, and Cu(II)-Containing Coordination Polymers Synthesized by Using the Rigid Ligand 1,2-Bis(3-pyridyl)ethyne (3,3'-DPA)","Inorganic Chemistry","2002","41","","4895","4903","10.1021/ic011305x","","","0.71073","MoKα","","0.0525","0.0383","","","0.0845","0.0898","","","","","","0.987","","","","has coordinates","179265","2020-10-21","18:00:00",""
"4318949","18.79","0.01","22.8","0.01","20.74","0.01","90","","113.21","0.02","90","","8166","7","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H60 Fe4 N4 O20 -","- C80 H56 Fe4 N4 O20 -","- C320 H224 Fe16 N16 O80 -","4","0.5","","Athanassios K. Boudalis; Nikolia Lalioti; Georgios A. Spyroulias; Catherine P. Raptopoulou; Aris Terzis; Azzedine Bousseksou; Vassilis Tangoulis; Jean-Pierre Tuchagues; Spyros P. Perlepes","Novel Rectangular [Fe4(μ4-OHO)(μ-OH)2]7+ versus ""Butterfly"" [Fe4(μ3-O)2]8+ Core Topology in the FeIII/RCO2-/phen Reaction Systems (R = Me, Ph; phen = 1,10-Phenanthroline): Preparation and Properties of [Fe4(OHO)(OH)2(O2CMe)4(phen)4](ClO4)3, [Fe4O2(O2CPh)7(phen)2](ClO4), and [Fe4O2(O2CPh)8(phen)2]","Inorganic Chemistry","2002","41","","6474","6487","10.1021/ic025795k","","","0.71073","Mokα","","0.1182","0.0744","","0.2105","0.1804","","","","1.161","1.255","1.255","","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4318964","36.949","0.002","19.4415","0.0013","42.134","0.003","90","","102.624","0.001","90","","29535","3","170","2","170","2","","","","","","","","11","I 1 2/a 1","-I 2ya","15","2, Cd-Fused Square","","","- C287 H400 Cd Cl38 F24 N10 O27 P8 Re12 Sb4 Se16 -","- C184 H152 Cd F24 N10 O6 P8 Re12 Sb4 Se16 -","- C736 H608 Cd4 F96 N40 O24 P32 Re48 Sb16 Se64 -","4","0.5","","Hugh D. Selby; Peter Orto; Michael D. Carducci; Zhiping Zheng","Novel Concentration-Driven Structural Interconversion in Shape-Specific Solids Supported by the Octahedral [Re6(μ3-Se)8]2+ Cluster Core","Inorganic Chemistry","2002","41","","6175","6177","10.1021/ic025925p","","","0.71073","MoKα","","0.0703","0.0443","","","0.1128","0.1212","","","","","","0.918","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4319072","14.227","0.003","21.291","0.004","14.626","0.003","90","","90.925","0.004","90","","4429.7","1.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","[MoO(CNBut)4Cl][BPh4] at 100K","","","- C44 H56 B Cl Mo N4 O -","- C44 H56 B Cl Mo N4 O -","- C176 H224 B4 Cl4 Mo4 N16 O4 -","4","0.5","","Ryan E. Da Re; Michael D. Hopkins","Electronic Spectra and Structures of d2 Molybdenum-Oxo Complexes. Effects of Structural Distortions on Orbital Energies, Two-Electron Terms, and the Mixing of Singlet and Triplet States","Inorganic Chemistry","2002","41","","6973","6985","10.1021/ic020565r","","","0.71073","MoKα","","0.0669","0.063","","","0.1611","0.1635","","","","","","1.179","","","","has coordinates,has disorder","288534","2023-12-24","00:05:04",""
"4319158","16.866","0.006","12.583","0.006","34.778","0.023","90","","99.22","0.04","90","","7285","7","293","2","293","2","","","","","","","laboratory synthesis","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H30 Cl4 N3 O2 P2 Re -","- C36 H30 Cl4 N3 O2 P2 Re -","- C288 H240 Cl32 N24 O16 P16 Re8 -","8","1","","Sibaprasad Bhattacharyya; Indranil Chakraborty; Bimal Kumar Dirghangi; Animesh Chakravorty","Oxygen Atom Transfer from Nitrogenous ReVO Reagents to Diphosphines and Subsequent Transformations. Rhenium(III) Products and Reaction Models","Inorganic Chemistry","2001","40","","286","293","10.1021/ic0005893","","","0.71073","MoKα","","0.1186","0.0571","","0.1375","0.1019","","","","1.023","1.007","1.007","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4319483","19.347","0.003","9.857","0.001","23.412","0.004","90","","100.549","0.005","90","","4389.3","1.1","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H31 Al N4 O17 -","- C12 H31 Al N4 O17 -","- C96 H248 Al8 N32 O136 -","8","1","","M. Matzapetakis; M. Kourgiantakis; M. Dakanali; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; I. Banyai; L. Iordanidis; T. Mavromoustakos; A. Salifoglou","Synthesis, pH-Dependent Structural Characterization, and Solution Behavior of Aqueous Aluminum and Gallium Citrate Complexes","Inorganic Chemistry","2001","40","","1734","1744","10.1021/ic000461l","","","1.5418","CuKα","","0.0434","0.0389","","0.1056","0.101","","","","1.032","1.046","1.046","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319484","19.275","0.001","9.9697","0.0006","23.476","0.001","90","","100.694","0.002","90","","4432.9","0.4","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H31 Ga N4 O17 -","- C12 H31 Ga N4 O17 -","- C96 H248 Ga8 N32 O136 -","8","1","","M. Matzapetakis; M. Kourgiantakis; M. Dakanali; C. P. Raptopoulou; A. Terzis; A. Lakatos; T. Kiss; I. Banyai; L. Iordanidis; T. Mavromoustakos; A. Salifoglou","Synthesis, pH-Dependent Structural Characterization, and Solution Behavior of Aqueous Aluminum and Gallium Citrate Complexes","Inorganic Chemistry","2001","40","","1734","1744","10.1021/ic000461l","","","1.5418","CuKα","","0.0277","0.025","","0.0661","0.064","","","","1.061","1.071","1.071","","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319516","18.6314","0.0002","9.1926","0.0001","20.8006","0.0001","90","","106.176","0.002","90","","3421.5","0.06","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C40 H30 N5 P2 -","- C40 H30 N5 P2 -","- C160 H120 N20 P8 -","4","0.5","","Jamie L. Manson; Wayne E. Buschmann; Joel S. Miller","Tetracyanomanganate(II) and Its Salts of Divalent First-Row Transition Metal Ions","Inorganic Chemistry","2001","40","","1926","1935","10.1021/ic0012726","","","0.71073","MoKα","","0.0595","0.051","","","0.1427","0.1493","","","","","","1.016","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319963","11.8389","0.0009","13.3768","0.001","28.5215","0.0021","90","","98.209","0.001","90","","4470.6","0.6","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H38 Cu3 N8 O14 -","- C48 H38 Cu3 N8 O14 -","- C192 H152 Cu12 N32 O56 -","4","0.5","","Jack Y. Lu; Amy M. Babb","The First Triple-Layer 2-D Coordination Polymer: [Cu3(bpen)(IN)6(H2O)2]","Inorganic Chemistry","2001","40","","3261","3262","10.1021/ic015531i","","","0.71073","MoKα","","0.03","0.0264","","","0.0785","0.0817","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320429","17.904","0.004","8.7848","0.0018","21.204","0.004","90","","98.4","0.03","90","","3299.3","1.2","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H60 N6 S2 Zn -","- C26 H60 N6 S2 Zn -","- C104 H240 N24 S8 Zn4 -","4","0.5","","Bernhard Walfort; Angela P. Leedham; Christopher A. Russell; Dietmar Stalke","Triimidosulfonic Acid and Organometallic Triimidosulfonates: S+N- versus SN Bonding","Inorganic Chemistry","2001","40","","5668","5674","10.1021/ic0105009","","","0.71073","MoKα","","0.061","0.0322","","","0.0653","0.0711","","","","","","0.839","","","","has coordinates,has disorder","179307","2020-10-21","18:00:00",""
"4320744","31.474","0.0017","6.7399","0.0004","25.7722","0.0014","90","","100.334","0.001","90","","5378.4","0.5","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 N24 O4 -","- C54 H54 N24 O4 -","- C216 H216 N96 O16 -","4","0.5","","Daniel L. Reger; Radu F. Semeniuc; Mark D. Smith","Supramolecular Architecture of a Silver(I) Coordination Polymer Supported by a New Ligand Containing Four Tris(pyrazolyl)methane Units","Inorganic Chemistry","2001","40","","6545","6546","10.1021/ic015567a","","","0.71073","MoKα","","0.0647","0.0546","","","0.1235","0.1281","","","","","","1.128","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320902","19.9003","0.0004","9.5492","0.0002","23.6351","0.0004","90","","109.371","0.001","90","","4237.17","0.14","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","[Ba(thd)2(THF)4]","","- C38 H70 Ba O8 -","- C38 H70 Ba O8 -","- C152 H280 Ba4 O32 -","4","0.5","","Witold Paw; Thomas H. Baum; Kin-Chung Lam; Arnold L. Rheingold","Low-Melting, Mononuclear Tetrahydrofuran Complexes of M(2,2,6,6-tetramethylheptane-3,5-dionate)2 (M = Ba, Sr) and Related Analogues","Inorganic Chemistry","2000","39","","2011","2014","10.1021/ic990641z","","","0.71073","MoKα","","0.1001","0.0761","","","0.2062","0.2291","","","","","","1.56","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4320903","19.9087","0.0003","9.6863","0.0002","23.0043","0.0005","90","","109.242","0.0009","90","","4188.37","0.14","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","[Sr(thd)2(THF)4]","","- C38 H70 O8 Sr -","- C38 H70 O8 Sr -","- C152 H280 O32 Sr4 -","4","0.5","","Witold Paw; Thomas H. Baum; Kin-Chung Lam; Arnold L. Rheingold","Low-Melting, Mononuclear Tetrahydrofuran Complexes of M(2,2,6,6-tetramethylheptane-3,5-dionate)2 (M = Ba, Sr) and Related Analogues","Inorganic Chemistry","2000","39","","2011","2014","10.1021/ic990641z","","","0.71073","MoKα","","0.093","0.0685","","","0.1668","0.1849","","","","","","1.626","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4320947","19.132","0.007","11.188","0.004","23.666","0.009","90","","98.77","0.01","90","","5006","3","298","","298","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H29 Cl N3 O2.5 P Re -","- C23 H26 Cl N3 O2.5 P Re -","- C184 H208 Cl8 N24 O20 P8 Re8 -","8","1","","Berthold Nock; Theodosia Maina; Francesco Tisato; Minas Papadopoulos; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis","Synthesis and Characterization of Six-Coordinate ""3 + 2"" Mixed-Ligand Oxorhenium Complexes with theo-Diphenylphosphinophenolato Ligand and Tridentate Coligands of Different N and S Donor Atom Combinations","Inorganic Chemistry","2000","39","","2178","2184","10.1021/ic991341k","","","0.71073","MoKα","","0.034","0.0279","","0.0751","0.071","","","","1.078","1.083","1.083","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321196","21.1237","0.0003","9.6962","0.0002","35.2862","0.0004","90","","98.513","0.0004","90","","7147.7","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C72 H68 Cl6 O6 P4 Rh2 -","- C70 H64 Cl2 O6 P4 Rh2 -","- C280 H256 Cl8 O24 P16 Rh8 -","4","0.5","","Felicia M. Dixon; Adam H. Eisenberg; Joshua R. Farrell; Chad A. Mirkin; Louise M. Liable-Sands; Arnold L. Rheingold","Neutral Macrocycles via Halide-Induced Ring Opening of Binuclear Condensed Intermediates","Inorganic Chemistry","2000","39","","3432","3433","10.1021/ic000062q","","","0.71073","MoKα","","0.0931","0.0767","","","0.1807","0.1911","","","","","","1.499","","","","has coordinates","179314","2020-10-21","18:00:00",""
"4321420","25.12","0.01","16.45","0.007","17.254","0.007","90","","92.32","0.01","90","","7124","5","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52.4 H80.4 Cu5 N4 O20.8 -","- C52.4 H50 Cu5 N4 O20.8 -","- C209.6 H200 Cu20 N16 O83.2 -","4","0.5","","Giannis S. Papaefstathiou; Catherine P. Raptopoulou; Alexandros Tsohos; Aris Terzis; Evangelos G. Bakalbassis; Spyros P. Perlepes","Alcoholysis of 2,2'-Pyridil, (2-C5H4N)C(O)C(O)(2-C5H4N), in the Presence of Copper(II): A Family of Planar Pentanuclear Copper(II) Complexes Stabilized by [(2-C5H4N)C(O)(OR)C(O)(OR)(2-C5H4N)]2- and Carboxylate Ligands","Inorganic Chemistry","2000","39","","4658","4662","10.1021/ic991169k","","","0.71073","MoKα","","0.1154","0.0683","","0.2131","0.1736","","","","1.096","1.116","1.116","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321786","13.813","0.003","16.641","0.004","15.722","0.004","90","","96.73","0.02","90","","3589","1.5","220","2","220","2","","","","","","","see experimental","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H35 F6 N4 O5 P Pt2 -","- C31 H35 F6 N4 O5 P Pt2 -","- C124 H140 F24 N16 O20 P4 Pt8 -","4","0.5","","Dirk Steinborn; Michael Gerisch; Clemens Bruhn; Julian A. Davies","Synthesis and Characterization of Intermolecular Hydrogen Bond Stabilized Acyl(hydroxycarbene)platinum(II) Complexes","Inorganic Chemistry","1999","38","","680","683","10.1021/ic9805170","","","0.71073","MoKα","","0.048","0.0394","","0.0984","0.0946","","","","1.089","1.146","1.146","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321979","7.2294","0.0002","11.4574","0.0004","14.9103","0.0006","90","","90.341","0.005","90","","1235","0.07","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(bipy)Pt(edt)","(2,2'-bipyridyl)(ethylene-1,2-dithiolate)platinum(II)","","- C12 H10 N2 Pt S2 -","- C12 H10 N2 Pt S2 -","- C48 H40 N8 Pt4 S8 -","4","0.5","","Christopher E. Keefer; Robert D. Bereman; Suzanne T. Purrington; Brian W. Knight; Paul D. Boyle","The 195Pt NMR of L2Pt(1,2-dithiolene) Complexes","Inorganic Chemistry","1999","38","","2294","2302","10.1021/ic980369d","","","0.71073","MolybdenumKα","","0.026","0.026","","0.032","0.032","","","","","1.07","1.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322013","20.205","0.003","11.7529","0.0009","30.905","0.003","90","","90.333","0.01","90","","7338.8","1.4","297","2","297","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C78 H62 Cl4 Hg O10 P4 Pd2 -","- C78 H62 Cl4 Hg O10 P4 Pd2 -","- C312 H248 Cl16 Hg4 O40 P16 Pd8 -","4","0.5","","Larry R. Falvello; Susana Fernández; Rafael Navarro; Esteban P. Urriolabeitia","Reactivity of Palladium(II) Complexes Containing the Orthometalated C,C-Chelating Ligand C6H4-2-PPh2C(H)COCH2PPh3 toward Deprotonating Reagents","Inorganic Chemistry","1999","38","","2455","2463","10.1021/ic9812050","","","0.71073","MoKα","","0.141","0.0591","","","0.1116","0.1355","","","","","","1.04","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322020","16.063","0.003","15.895","0.003","19.703","0.004","90","","107.11","0.03","90","","4808","1.8","183","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","6,13-Diethoxycarbonyl-7,12-dimethyl-1,4,8,11-tetraazacyclotetradeka- 5,7,12,14-tetraenato-iron(III)-ioded","","- C21.5 H10 Fe I N4 O4 -","- C21.5 H30 Fe I N4 O4 -","- C172 H240 Fe8 I8 N32 O32 -","8","1","","Heike Keutel; Indira Käpplinger; Ernst-Gottfried Jäger; Michael Grodzicki; Volker Schünemann; Alfred Xaver Trautwein","Structural, Magnetic, and Electronic Properties of a Pentacoordinated Intermediate-Spin (S=3/2) Iron(III) Complex with a Macrocyclic [N4]2-Ligand","Inorganic Chemistry","1999","38","","2320","2327","10.1021/ic981276z","","","0.71073","MoKα","","0.0869","0.0389","","0.1201","0.0833","","","","1.094","1.024","1.024","","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322551","14.142","0.007","10.721","0.007","16.973","0.01","90","","93.01","0.04","90","","2570","3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H19 Cl2 Mn N8 O2 -","- C25 H19 Cl2 Mn N8 O2 -","- C100 H76 Cl8 Mn4 N32 O8 -","4","0.5","","Sanjib Ganguly; Soma Karmakar; Chandan Kumar Pal; Animesh Chakravorty","Regiospecific Oximato Coordination at the Oxygen Site: Ligand Design and Low-Spin MnII and FeII/III Species","Inorganic Chemistry","1999","38","","5984","5987","10.1021/ic9907011","","","0.71073","MoKα","","0.0821","0.0547","","0.1442","0.1251","","","","1.045","1.074","1.074","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322552","14.254","0.006","10.742","0.006","16.719","0.008","90","","92.35","0.04","90","","2558","2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H19 Cl2 Fe N8 O2 -","- C25 H19 Cl2 Fe N8 O2 -","- C100 H76 Cl8 Fe4 N32 O8 -","4","0.5","","Sanjib Ganguly; Soma Karmakar; Chandan Kumar Pal; Animesh Chakravorty","Regiospecific Oximato Coordination at the Oxygen Site: Ligand Design and Low-Spin MnII and FeII/III Species","Inorganic Chemistry","1999","38","","5984","5987","10.1021/ic9907011","","","0.71073","MoKα","","0.209","0.0821","","0.2608","0.1633","","","","1.042","1.162","1.162","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322764","23.53","0.002","10.0822","0.0005","48.748","0.003","90","","92.145","0.005","90","","11556.6","1.3","127","2","127","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C64 H64 Fe N9 O7 -","- C64 H60.517 Fe N9 O7 -","- C512 H484.136 Fe8 N72 O56 -","8","1","","Orde Q. Munro; W. Robert Scheidt","(Nitro)Iron(III) Porphyrins. EPR Detection of a Transient Low-Spin Iron(III) Complex and Structural Characterization of an O Atom Transfer Product","Inorganic Chemistry","1998","37","","2308","2316","10.1021/ic970855l","","","0.71073","MoKα","","0.0994","0.0606","","0.1546","0.1313","","","","1.043","1.086","1.086","","","","","has coordinates,has disorder","179330","2020-10-21","18:00:00",""
"4322973","24.602","0.005","7.849","0.002","15.711","0.003","90","","97.97","0.005","90","","3004.5","1.1","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12.5 H19 Cu N3 O4.5 -","- C12.5 H17 Cu N3 O4.5 -","- C100 H136 Cu8 N24 O36 -","8","1","","Evangelos G. Bakalbassis; Damianos G. Paschalidis; Catherine P. Raptopoulou; Vasilis Tangoulis","Synthesis, Crystal Structure, and Magnetic Properties of a One-Dimensional Polymeric Copper(II) Complex, Containing Unicoordinated Phthalato Bridges","Inorganic Chemistry","1998","37","","4735","4737","10.1021/ic980034w","","","0.71073","MoKα","","0.0649","0.0534","","0.1574","0.1446","","","","1.1","1.128","1.128","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323326","19.437","0.002","15.587","0.001","20.401","0.001","90","","97.84","0.006","90","","6123","0.8","213","2","213","2","","","","","","","synthesis","4","I 1 2/a 1","-I 2ya","15","","","","- C72 H62 N10 Ta2 -","- C72 H54 N10 Ta2 -","- C288 H216 N40 Ta8 -","4","0.5","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang","Cleavage of Formamidinate Ligands on a TaTa Double Bond: Formation of HxCNAryl (x= 0 and 1) and Arylimido-Bridged Complexes","Inorganic Chemistry","1997","36","","896","901","10.1021/ic9611507","","","0.71073","MoKα","","0.0706","0.0571","","0.1464","0.1366","","","","1.125","1.161","1.161","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323468","13.1268","0.0008","10.871","0.001","17.106","0.001","90","","92.872","0.005","90","","2438","0.3","213","2","213","2","","","","","","","synthesized","6","I 1 2/a 1","-I 2ya","15","cis,cis-Tetrachloro-bis(n-propylamido)- bis(trimethylphosphine) ditungsten(III)","1,1,2,2-Tetrachloro-1,2-bis(n-propylamido)-(cis,cis)- 1,2-bis(trimethylphosphine)ditungsten(III)","","- C12 H34 Cl4 N2 P2 W2 -","- C12 H34 Cl4 N2 P2 W2 -","- C48 H136 Cl16 N8 P8 W8 -","4","0.5","","F. Albert Cotton; Evgeny V. Dikarev; Wai-Yeung Wong","W2Cl4(NR2)2(PR'3)2 Molecules. 8. Synthesis and Structural Characterization of Both Cis Isomers of Stoichiometry W2Cl4(NHR)2(PMe3)2, R = Et, Prn, and Bun. Direct Evidence Favoring an Internal Flip Mechanism for Cis-Trans Isomerization","Inorganic Chemistry","1997","36","","2670","2677","10.1021/ic9700361","","","0.71073","MoKα","","0.0445","0.038","","0.0933","0.0894","","","","1.086","1.108","1.108","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323494","7.358","0.002","16.808","0.004","14.837","0.006","90","","95.4","0.02","90","","1826.8","1","153","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","[Ti(NMe2)2(N3)2(bipy)]","","","- C14 H20 N10 Ti -","- C14 H20 N10 Ti -","- C56 H80 N40 Ti4 -","4","0.5","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Yang-Ming Sun; Bill Fitts; Sandra Whaley; Herbert W. Roesky","Monomeric Titanium(IV) Azides as a New Route to Titanium Nitride","Inorganic Chemistry","1997","36","","3108","3112","10.1021/ic9614834","","","0.71073","MoKα","","0.1046","0.0671","","0.1692","0.1509","","","","1.101","1.186","1.186","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323913","18.906","0.004","9.516","0.002","25.617","0.005","90","","92.75","0.03","90","","4603.4","1.6","","","130","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H78 Li2 N4 S2 -","- C42 H70 Li2 N4 S2 -","- C168 H280 Li8 N16 S8 -","4","0.5","","Karin Ruhlandt-Senge; Ulrich Englich; Mathias O. Senge; Scott Chadwick","Synthesis and Structural Characterization of Lithium Thiolates: Dependence of Association and Aggregation on Donor Hapticity and Ligand Size and Synthesis of the First Trimeric Lithium Thiolate [Li(THF)SR]3 and the Solvent-Separated Ion Pair [Li(12-crown-4)2][SR] (R = 2,4,6-tBu3C6H2)1","Inorganic Chemistry","1996","35","","5820","5827","10.1021/ic960375e","","","1.54178","CuKα","","0.0839","0.0668","","0.1891","0.1714","","","","1.02","1.049","1.049","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4324272","16.517","0.003","10.65","0.002","19.517","0.004","90","","103.68","0.03","90","","3335.8","1.2","140","2","140","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C39 H37 Ir N4 O2 -","- C39 H37 Ir N4 O2 -","- C156 H148 Ir4 N16 O8 -","4","0.5","","Etienne Baranoff; Simona Fantacci; Filippo De Angelis; Xianxi Zhang; Rosario Scopelliti; Michael Grätzel; Md. Khaja Nazeeruddin","Cyclometalated Iridium(III) Complexes Based on Phenyl-Imidazole Ligand","Inorganic Chemistry","2011","50","","451","462","10.1021/ic901834v","","","0.71073","MoKα","","0.0633","0.0602","","","0.1406","0.1427","","","","","","1.109","","","","has coordinates,has disorder","179345","2020-10-21","18:00:00",""
"4324291","8.5922","0.0006","12.2951","0.0006","25.671","0.002","90","","94.567","0.009","90","","2703.3","0.3","153","2","153","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","Molybdenum(VI)-dioxide-sulfate","","","- Mo O6 S -","- Mo O6 S -","- Mo24 O144 S24 -","24","3","","Ulf Betke; Mathias S. Wickleder","Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2","Inorganic Chemistry","2011","50","","858","872","10.1021/ic101455z","","x-ray","0.71073","MoKα","","0.0222","0.0166","","","0.0399","0.0409","","","","","","0.973","","","","has coordinates","179345","2020-10-21","18:00:00",""
"4324385","18.865","0.003","10.8115","0.0017","28.32","0.004","90","","91.932","0.002","90","","5772.8","1.5","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C17 H38 Cl2 Co N O9 P3 Ru -","- C17 H8 Cl2 Co N O9 P3 Ru -","- C136 H64 Cl16 Co8 N8 O72 P24 Ru8 -","8","1","","Xiao-Yi Yi; Ho-Yuen Ng; Ian D. Williams; Wa-Hung Leung","Formation of a Dinuclear Imido Complex from the Reaction of a Ruthenium(VI) Nitride with a Ruthenium(II) Hydride","Inorganic Chemistry","2011","50","","1161","1163","10.1021/ic101520g","","","0.71073","MoKα","","0.0856","0.0673","","","0.17","0.1809","","","","","","1.039","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324658","15.875","0.003","25.921","0.005","17.456","0.004","90","","94.71","0.03","90","","7159","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","[Cu4(O)(C7H4N3O)4(CH3COO)2].1/4H2O","","","- C32 H22.5 Cu4 N12 O9.25 -","- C32 H22.5 Cu4 N12 O9.25 -","- C256 H180 Cu32 N96 O74 -","8","1","","Albert Escuer; Gina Vlahopoulou; Spyros P. Perlepes; Franz A. Mautner","Trinuclear, Tetranuclear, and Polymeric CuII Complexes from the First Use of 2-Pyridylcyanoxime in Transition Metal Chemistry: Synthetic, Structural, and Magnetic Studies","Inorganic Chemistry","2011","50","","2468","2478","10.1021/ic102286r","","","0.71073","MoKα","","0.0608","0.0512","","0.1231","","0.1185","","","1.158","","","1.205","","","","has coordinates","179349","2020-10-21","18:00:00",""
"4324695","15.657","0.002","25.34","0.003","16.686","0.003","90","","95.464","0.018","90","","6590.1","1.7","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H37 Cl N11 O P Pd -","- C28 H37 Cl N11 O P Pd -","- C224 H296 Cl8 N88 O8 P8 Pd8 -","8","1","","Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan","Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups","Inorganic Chemistry","2011","50","","2568","2579","10.1021/ic102415x","","","0.71073","","","0.11","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325590","22.466","0.003","11.1062","0.0015","33.506","0.005","90","","98.504","0.002","90","","8268","2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H24 F25 Fe N2 O5 -","- C38 H24 F25 Fe N2 O5 -","- C304 H192 F200 Fe8 N16 O40 -","8","1","","Stefanie A. Cantalupo; Helen E. Ferreira; Eman Bataineh; Annie J. King; Montana V. Petersen; Teresa Wojtasiewicz; Antonio G. DiPasquale; Arnold L. Rheingold; Linda H. Doerrer","Synthesis with Structural and Electronic Characterization of Homoleptic Fe(II)- and Fe(III)-Fluorinated Phenolate Complexes","Inorganic Chemistry","2011","50","","6584","6596","10.1021/ic2003782","","","0.71073","MoKα","","0.0922","0.0749","","","0.1551","0.1623","","","","","","1.253","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4326845","20.833","0.008","9.235","0.004","25.678","0.011","90","","95.193","0.014","90","","4920","4","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H29 N4 O20.5 V2 -","- C12 H26 N4 O20.5 V2 -","- C96 H208 N32 O164 V16 -","8","1","","M. Kaliva; C. Gabriel; C. P. Raptopoulou; A. Terzis; G. Voyiatzis; M. Zervou; C. Mateescu; A. Salifoglou","A Unique Dinuclear Mixed V(V) Oxo-peroxo Complex in the Structural Speciation of the Ternary V(V)-Peroxo-citrate System. Potential Mechanistic and Structural Insight into the Aqueous Synthetic Chemistry of Dinuclear V(V)-Citrate Species with H2O2","Inorganic Chemistry","2011","50","","11423","11436","10.1021/ic201204s","","","0.71073","MoKα","","0.0489","0.0417","","","0.1069","0.1155","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326964","26.4182","0.0019","13.1752","0.0003","27.9765","0.0016","90","","115.532","0.008","90","","8786.7","1","93.1","","93","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C37.72 H45.48 Cl3.62 F6 N6 Ru S Sb -","- C37.62 H35 Cl3.62 F6 N6 Ru S Sb -","- C300.96 H280 Cl28.96 F48 N48 Ru8 S8 Sb8 -","8","1","","Timothy P. Brewster; Wendu Ding; Nathan D. Schley; Nilay Hazari; Victor S. Batista; Robert H. Crabtree","Thiocyanate Linkage Isomerism in a Ruthenium Polypyridyl Complex","Inorganic Chemistry","2011","50","","11938","11946","10.1021/ic200950e","","","1.54187","CuKα","","","0.0743","","","","0.2184","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327561","29.2794","0.0004","32.3271","0.0004","29.8738","0.0006","90","","99.265","0.001","90","","27907.2","0.8","223","2","223","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C128 H112 Mn12 O51 -","- C128 H112 Mn12 O51 -","- C1024 H896 Mn96 O408 -","8","1","","Sheila M. J. Aubin; Ziming Sun; Hilary J. Eppley; Evan M. Rumberger; Ilia A. Guzei; Kirsten Folting; Peter K. Gantzel; Arnold L. Rheingold; George Christou; David N. Hendrickson","Single-Molecule Magnets: Jahn-Teller Isomerism and the Origin of Two Magnetization Relaxation Processes in Mn12 Complexes","Inorganic Chemistry","2001","40","","2127","2146","10.1021/ic000911+","","","0.71073","MoKα","","0.1958","0.088","","0.286","0.2158","","","","1.085","1.262","1.262","","","","","has coordinates","179378","2020-10-21","18:00:00",""
"4327947","30.6777","0.0006","11.2485","0.0002","35.0954","0.0007","90","","90.412","0.002","90","","12110.3","0.4","140","2","140","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H17 Br4 Cl Ir N3 O2 -","- C28.5 H17 Br4 Cl Ir N3 O2 -","- C456 H272 Br64 Cl16 Ir16 N48 O32 -","16","2","","Etienne Baranoff; Basile F. E. Curchod; Filippo Monti; Frédéric Steimer; Gianluca Accorsi; Ivano Tavernelli; Ursula Rothlisberger; Rosario Scopelliti; Michael Grätzel; Md. Khaja Nazeeruddin","Influence of Halogen Atoms on a Homologous Series of Bis-Cyclometalated Iridium(III) Complexes","Inorganic Chemistry","2012","51","","799","811","10.1021/ic2011474","","","0.71073","MoKα","","0.0648","0.0379","","","0.0883","0.1067","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328054","32.4845","0.0009","22.5775","0.0006","41.6085","0.0013","90","","106.041","0.003","90","","29328.3","1.5","130","2","130","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C72 H212 As4 K4 Li4 N12 O236 Tb8 W38 -","- C72 As4 K4 N12 O227.6 Tb8 W38 -","- C288 As16 K16 N48 O910.4 Tb32 W152 -","4","0.5","","Chris Ritchie; Valérie Baslon; Evan G. Moore; Christian Reber; Colette Boskovic","Sensitization of Lanthanoid Luminescence by Organic and Inorganic Ligands in Lanthanoid-Organic-Polyoxometalates","Inorganic Chemistry","2012","51","","1142","1151","10.1021/ic202349u","","","1.54184","CuKα","","0.058","0.0466","","","0.1357","0.1401","","","","","","1.057","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328661","16.102","0.0004","25.712","0.0007","27.9161","0.0009","90","","105.768","0.001","90","","11122.8","0.5","100","2","100","2","","","","","","","Nicola L Bell","7","I 1 2/a 1","-I 2ya","15","","","","- C56.5 H75 B2 N7 O3.5 Ru S4 -","- C47 H49 B2 N7 Ru S4 -","- C376 H392 B16 N56 Ru8 S32 -","8","1","","Philip J. Bailey; Nicola L. Bell; Gary S. Nichol; Simon Parsons; Fraser White","Insertion and Substitution Chemistry at the Boron Fourth Position in Charge-Neutral Zwitterionic Tripodal Tris(methimazolyl)borate Ligands","Inorganic Chemistry","2012","51","","3677","3689","10.1021/ic202618p","","","0.71073","MoKα","","0.0623","0.042","","","0.0908","0.0959","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329214","12.089","0.002","28.812","0.006","14.424","0.004","90","","97.526","0.019","90","","4980.7","1.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 N2 O8 Ru2 -","- C48 H58 N2 O8 Ru2 -","- C192 H232 N8 O32 Ru8 -","4","0.5","","Benan Kilbas; Sebastian Mirtschin; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin","Dicarboxylate-Bridged Ruthenium Complexes as Building Blocks for Molecular Nanostructures","Inorganic Chemistry","2012","51","","5795","5804","10.1021/ic300330p","","","0.71073","MoKα","","0.0778","0.0588","","","0.1185","0.1257","","","","","","1.104","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4329341","18.969","0.002","7.1796","0.0005","15.9877","0.0017","90","","93.636","0.009","90","","2173","0.4","180","2","180","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H24 Cd N6 O8 -","- C20 H24 Cd N6 O8 -","- C80 H96 Cd4 N24 O32 -","4","0.5","","Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid","Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors","Inorganic Chemistry","2012","51","","6180","6189","10.1021/ic300235s","","","0.71073","MoKα","","0.0444","0.0432","","","0.1167","0.1178","","","","","","1.075","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4332488","15.636","0.005","8.318","0.003","19.924","0.006","90","","102.311","0.005","90","","2531.7","1.4","213","2","213","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H32 Cl Mo2 N12 -","- C20 H32 Cl Mo2 N12 -","- C80 H128 Cl4 Mo8 N48 -","4","0.5","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates","Inorganic Chemistry","2006","45","14","5493","5500","10.1021/ic060449e","","","0.71073","MoKα","","0.0418","0.032","","","0.08","0.0862","","","","","","1.096","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332823","34.6215","0.0009","15.0763","0.0003","42.9953","0.0009","90","","108.373","0.002","90","","21298","0.9","90","2","90","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","none","","","- C180 H112 N0 O28 Zn8 -","- C180 H108 O28 Zn8 -","- C720 H432 O112 Zn32 -","4","0.5","","Sun, Daofeng; Ke, Yanxiong; Mattox, Tracy M.; Parkin, Sean; Zhou, Hong-Cai","Stability and Porosity Enhancement through Concurrent Ligand Extension and Secondary Building Unit Stabilization","Inorganic Chemistry","2006","45","19","7566","7568","10.1021/ic0609002","","","1.54178","CuKα","","0.0755","0.0534","","","0.1366","0.1465","","","","","","1.049","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4334387","8.044","0.0001","7.4377","0.0001","14.7456","0.0002","90","","97.274","0.002","90","","875.11","0.02","173","0.2","173","0.2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Bi2 O10 Se3 -","- Bi2 O10 Se3 -","- Bi8 O40 Se12 -","4","0.5","","Eun Pyo Lee; Seung Yoon Song; Dong Woo Lee; Kang Min Ok","New Bismuth Selenium Oxides: Syntheses, Structures, and Characterizations of Centrosymmetric Bi2(SeO3)2(SeO4) and Bi2(TeO3)2(SeO4) and Noncentrosymmetric Bi(SeO3)(HSeO3)","Inorganic Chemistry","2013","52","","4097","4103","10.1021/ic4002384","","","0.71073","MoKα","","0.0311","0.0269","","","0.0639","0.0712","","","","","","1.123","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334388","8.0995","0.0002","7.4835","0.0002","14.8219","0.0005","90","","97.824","0.003","90","","890.03","0.04","173","0.2","173","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- Bi2 O10 Se Te2 -","- Bi2 O10 Se Te2 -","- Bi8 O40 Se4 Te8 -","4","0.5","","Eun Pyo Lee; Seung Yoon Song; Dong Woo Lee; Kang Min Ok","New Bismuth Selenium Oxides: Syntheses, Structures, and Characterizations of Centrosymmetric Bi2(SeO3)2(SeO4) and Bi2(TeO3)2(SeO4) and Noncentrosymmetric Bi(SeO3)(HSeO3)","Inorganic Chemistry","2013","52","","4097","4103","10.1021/ic4002384","","","0.71073","MoKα","","0.0722","0.047","","","0.1312","0.1383","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334610","16.6307","0.0003","28.5261","0.0005","20.0359","0.0004","90","","100.979","0.001","90","","9331.2","0.3","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C67 H110.4 Cu4 N12 O40.2 P8 -","- C67 H68 Cu4 N12 O40.2 P8 -","- C268 H272 Cu16 N48 O160.8 P32 -","4","0.5","","V. Georgantas; M. Menelaou; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; C. Mateescu; A. Salifoglou","Aromatic Chelator-Specific Lattice Architecture and Dimensionality in Binary and Ternary Cu(II)-Organophosphonate Materials","Inorganic Chemistry","2013","52","","4963","4976","10.1021/ic302598d","","","0.71073","MoKα","","0.0691","0.0559","","","0.1634","0.1745","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336702","26.7881","0.0004","9.1486","0.0001","30.0583","0.0006","90","","112.127","0.001","90","","6823.96","0.19","160","2","160","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C76 H74 O10 P2 Re -","- C76 H49 O10 P2 Re -","- C304 H196 O40 P8 Re4 -","4","0.5","","Charalampos Triantis; Theodoros Tsotakos; Charalampos Tsoukalas; Marina Sagnou; Catherine Raptopoulou; Aris Terzis; Vassilis Psycharis; Maria Pelecanou; Ioannis Pirmettis; Minas Papadopoulos","Synthesis and Characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)2(OO)] Complexes (M = Re,99mTc) with Acetylacetone and Curcumin as OO Donor Bidentate Ligands","Inorganic Chemistry","2013","52","","12995","13003","10.1021/ic401503b","","","1.54178","CuKα","","0.0382","0.0373","","","0.1026","0.1032","","","","","","1.074","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4337292","34.0737","0.0014","20.2018","0.0013","33.1437","0.0011","90","","91.233","0.003","90","","22809.2","1.9","100.01","0.13","100.01","0.13","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C72 H77 Ag6 F6 N30 O10 S2 -","- C72 H78 Ag6 F6 N30 O10 S2 -","- C576 H624 Ag48 F48 N240 O80 S16 -","8","1","","Hutchinson, Daniel J.; James, Matthew P.; Hanton, Lyall R.; Moratti, Stephen C.","Metal-induced isomerization of a molecular strand containing contradictory dynamic coordination sites.","Inorganic chemistry","2014","53","4","2122","2132","10.1021/ic4027392","","","1.5418","CuKα","","0.1268","0.0901","","","0.2576","0.2857","","","","","","0.998","","","","has coordinates,has disorder","179475","2020-10-21","18:00:00",""
"4338240","15.8017","0.0012","9.5425","0.0008","22.4802","0.0018","90","","101.499","0.0009","90","","3321.7","0.5","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H30 Cl3 P2 Sb -","- C36 H30 Cl3 P2 Sb -","- C144 H120 Cl12 P8 Sb4 -","4","0.5","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0234","0.0204","","","0.0492","0.0507","","","","","","1.068","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338497","25.9006","0.0005","14.5163","0.0003","34.571","0.0008","90","","103.525","0.002","90","","12637.6","0.5","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C61 H50 Cl2 N14 O12 Ru2 -","- C61 H50 Cl2 N14 O12 Ru2 -","- C488 H400 Cl16 N112 O96 Ru16 -","8","1","","Ghosh, Prabir; Mondal, Prasenjit; Ray, Ritwika; Das, Ankita; Bag, Sukdev; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Significant Influence of Coligands Toward Varying Coordination Modes of 2,2'-Bipyridine-3,3'-diol in Ruthenium Complexes.","Inorganic chemistry","2014","53","12","6094","6106","10.1021/ic5004676","","","0.71073","MoKα","","0.0916","0.0631","","","0.1592","0.1858","","","","","","1.056","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338498","13.906","0.0002","13.3467","0.0002","16.156","0.0002","90","","101.797","0.001","90","","2935.21","0.07","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H26 N6 O2 Ru -","- C34 H26 N6 O2 Ru -","- C136 H104 N24 O8 Ru4 -","4","0.5","","Ghosh, Prabir; Mondal, Prasenjit; Ray, Ritwika; Das, Ankita; Bag, Sukdev; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Significant Influence of Coligands Toward Varying Coordination Modes of 2,2'-Bipyridine-3,3'-diol in Ruthenium Complexes.","Inorganic chemistry","2014","53","12","6094","6106","10.1021/ic5004676","","","0.71073","MoKα","","0.0249","0.0239","","","0.0675","0.0686","","","","","","1.058","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338647","25.8542","0.0016","12.0156","0.0006","31.992","0.0013","90","","104.911","0.005","90","","9603.8","0.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C61 H88 Mn17 N11 O40 -","- C61 H86 Mn17 N11 O40 -","- C244 H344 Mn68 N44 O160 -","4","0.5","","Moushi, Eleni E.; Stamatatos, Theocharis C.; Wernsdorfer, Wolfgang; Nastopoulos, Vassilios; Christou, George; Tasiopoulos, Anastasios J.","A Mn17 Octahedron with a Giant Ground-State Spin: Occurrence in Discrete Form and as Multidimensional Coordination Polymers","Inorganic Chemistry","2009","48","12","5049","5051","10.1021/ic801795x","","","0.71073","MoKα","","0.1333","0.0544","","","0.1313","0.1506","","","","","","0.934","","","","has coordinates,has disorder","210065","2020-10-21","18:00:00",""
"4339425","22.4227","0.0013","12.1193","0.0007","49.354","0.003","90","","94.15","0.003","90","","13376.7","1.4","203","2","203","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","(DIPP-nacnac)CaCl.(THF)","","","- C66 H98 Ca2 Cl2 N4 O2 -","- C66 H98 Ca2 Cl2 N4 O2 -","- C528 H784 Ca16 Cl16 N32 O16 -","8","1","","Ruspic, Christian; Harder, Sjoerd","Big ligands for stabilization of small functionalities in calcium chemistry.","Inorganic chemistry","2007","46","24","10426","10433","10.1021/ic701479r","","","0.71073","MoKα","","0.1074","0.0709","","","0.1832","0.2136","","","","","","1.033","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4339989","11.9569","0.0004","5.4306","0.0001","17.4707","0.0008","90","","94.222","0.005","90","","1131.35","0.07","123","2","123","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C6 H10 O10 Se2 -","- C6 H10 O10 Se2 -","- C24 H40 O40 Se8 -","4","0.5","","Richtera, Lukas; Jancik, Vojtech; Martínez-Otero, Diego; Pokluda, Ales; Zak, Zdirad; Taraba, Jan; Touzin, Jiri","Taming the Oxidative Power of SeO3 in 1,4-Dioxane, Isolation of Two New Isomers of Mixed-Valence Selenium Oxides, and Two Unprecedented Cyclic Esters of Selenic Acid.","Inorganic chemistry","2014","53","13","6569","6577","10.1021/ic500137z","","","0.71073","MoKα","","0.0129","0.0124","","","0.0326","0.0327","","","","","","1.152","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4340281","15.177","0.003","19.091","0.004","29.883","0.007","90","","97.829","0.014","90","","8578","3","120","2","110","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H42 Br3 N7 Ni2 O9 -","- C35 H42 Br3 N7 Ni2 O9 -","- C280 H336 Br24 N56 Ni16 O72 -","8","1","","Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Vicente, Ramón; Corbella, Montserrat; Bermejo, Manuel R.; Sanmartín, Jesús","Self-assembly of a tetranuclear Ni4 cluster with an S = 4 ground state: the first 3d metal cluster bearing a mu4-eta2:eta2-O,O carbonate ligand.","Inorganic chemistry","2006","45","1","255","262","10.1021/ic051194s","","","0.71073","MoKα","","0.0906","0.052","","","0.1273","0.152","","","","","","1.028","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340347","26.9665","0.001","13.219","0.0004","39.5373","0.0008","90","","96.589","0.002","90","","14000.8","0.7","130","0.1","130","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C75.5 H68 Ag3 B2 D F8 O0.5 P6 -","- C75.5 H66.5 Ag3 B2 D F8 O0.5 P6 -","- C604 H532 Ag24 B16 D8 F64 O4 P48 -","8","1","","Zavras, Athanasios; Khairallah, George N.; Connell, Timothy U.; White, Jonathan M.; Edwards, Alison J.; Mulder, Roger J.; Donnelly, Paul S.; O'Hair, Richard A J","Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of the Silver Hydride Nanocluster [Ag3((PPh2)2CH2)3(μ3-H)](BF4)2.","Inorganic chemistry","2014","53","14","7429","7437","10.1021/ic5007499","","","0.7107","MoKα","","0.0475","0.0318","","","0.0624","0.0692","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4340348","26.9665","0.001","13.219","0.0004","39.5373","0.0008","90","","96.589","0.002","90","","14000.8","0.7","123","","123","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C75.5 H68 Ag3 B2 D F8 O0.5 P6 -","- C75.5 H68 Ag3 B2 D F8 O0.5 P6 -","- C604 H544 Ag24 B16 D8 F64 O4 P48 -","8","1","","Zavras, Athanasios; Khairallah, George N.; Connell, Timothy U.; White, Jonathan M.; Edwards, Alison J.; Mulder, Roger J.; Donnelly, Paul S.; O'Hair, Richard A J","Synthesis, Structural Characterization, and Gas-Phase Unimolecular Reactivity of the Silver Hydride Nanocluster [Ag3((PPh2)2CH2)3(μ3-H)](BF4)2.","Inorganic chemistry","2014","53","14","7429","7437","10.1021/ic5007499","","neutron","0.85","neutron","","0.1652","0.128","","0.1491","0.1051","0.1002","","","","","","0.9993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4340592","14.2653","0.0004","12.4535","0.0003","31.0261","0.0008","90","","97.2299","0.0003","90","","5468.1","0.2","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","8","","","- C26 H21 Cl2 Ge O5 P W -","- C26 H21 Cl2 Ge O5 P W -","- C208 H168 Cl16 Ge8 O40 P8 W8 -","8","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0138","0.0129","","","0.0308","0.0311","","","","","","1.049","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340593","14.4711","0.0006","12.6086","0.0005","31.0557","0.0013","90","","96.8451","0.0005","90","","5626","0.4","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","9","","","- C26 H21 Cl2 O5 P Sn W -","- C26 H21 Cl2 O5 P Sn W -","- C208 H168 Cl16 O40 P8 Sn8 W8 -","8","1","","Swarnakar, Anindya K.; McDonald, Sean M.; Deutsch, Kelsey C.; Choi, Paul; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Application of the Donor-Acceptor Concept to Intercept Low Oxidation State Group 14 Element Hydrides using a Wittig Reagent as a Lewis Base.","Inorganic chemistry","2014","53","16","8662","8671","10.1021/ic501265k","","","0.71073","MoKα","","0.0167","0.0154","","","0.0382","0.0387","","","","","","1.033","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340727","18.698","0.004","15.749","0.003","32.287","0.009","90","","90.212","0.008","90","","9508","4","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C56 H53 B Ir N3 O3 -","- C56 H53 B Ir N3 O3 -","- C448 H424 B8 Ir8 N24 O24 -","8","1","","Sharma, Sanjeev; Kim, Hyungjun; Lee, Young Hoon; Kim, Taewon; Lee, Yoon Sup; Lee, Min Hyung","Heteroleptic Cyclometalated Iridium(III) Complexes Supported by Triarylborylpicolinate Ligand: Ratiometric Turn-On Phosphorescence Response upon Fluoride Binding.","Inorganic chemistry","2014","53","16","8672","8680","10.1021/ic501286m","","","0.71073","MoKα","","0.0615","0.0411","","","0.1009","0.1189","","","","","","1.054","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4341329","16.0349","0.0017","4.8622","0.0005","21.49","0.002","90","","90.552","0.009","90","","1675.4","0.3","102","2","102","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H26 N6 O6 -","- C12 H26 N6 O6 -","- C48 H104 N24 O24 -","4","0.5","","Tziouris, Petros A.; Tsiafoulis, Constantinos G.; Vlasiou, Manolis; Miras, Haralampos N.; Sigalas, Michael P.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Interaction of Chromium(III) with a N,N'-Disubstituted Hydroxylamine-(diamido) Ligand: A Combined Experimental and Theoretical Study.","Inorganic chemistry","2014","53","21","11404","11414","10.1021/ic501778d","","","0.71073","MoKα","","0.0652","0.0538","","","0.171","0.1799","","","","","","1.152","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341934","26.4413","0.0017","15.5908","0.0009","15.0859","0.0009","90","","101.907","0.002","90","","6085.2","0.6","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 Cl2 Cu3 Mn N6 O14 -","- C54 H54 Cl2 Cu3 Mn N6 O14 -","- C216 H216 Cl8 Cu12 Mn4 N24 O56 -","4","0.5","","Mondal, Suraj; Mandal, Shuvankar; Carrella, Luca; Jana, Arpita; Fleck, Michel; Köhn, Andreas; Rentschler, Eva; Mohanta, Sasankasekhar","A Series of M(II)Cu(II)3 Stars (M = Mn, Ni, Cu, Zn) Exhibiting Unusual Magnetic Properties.","Inorganic chemistry","2015","54","1","117","131","10.1021/ic501900d","","","0.71073","MoKα","","0.0862","0.0609","","","0.1638","0.1779","","","","","","1.031","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4341936","26.103","0.005","15.193","0.002","15.384","0.003","90","","100.822","0.005","90","","5992.5","1.8","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 Cl2 Cu4 N6 O14 -","- C54 H54 Cl2 Cu4 N6 O14 -","- C216 H216 Cl8 Cu16 N24 O56 -","4","0.5","","Mondal, Suraj; Mandal, Shuvankar; Carrella, Luca; Jana, Arpita; Fleck, Michel; Köhn, Andreas; Rentschler, Eva; Mohanta, Sasankasekhar","A Series of M(II)Cu(II)3 Stars (M = Mn, Ni, Cu, Zn) Exhibiting Unusual Magnetic Properties.","Inorganic chemistry","2015","54","1","117","131","10.1021/ic501900d","","","0.71073","MoKα","","0.061","0.0445","","","0.1362","0.1453","","","","","","1.027","","","","has coordinates","179522","2020-10-21","18:00:00",""
"4341937","26.137","0.002","15.4273","0.0011","15.3494","0.0011","90","","101.89","0.002","90","","6056.4","0.8","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 Cl2 Cu3 N6 O14 Zn -","- C54 H54 Cl2 Cu3 N6 O14 Zn -","- C216 H216 Cl8 Cu12 N24 O56 Zn4 -","4","0.5","","Mondal, Suraj; Mandal, Shuvankar; Carrella, Luca; Jana, Arpita; Fleck, Michel; Köhn, Andreas; Rentschler, Eva; Mohanta, Sasankasekhar","A Series of M(II)Cu(II)3 Stars (M = Mn, Ni, Cu, Zn) Exhibiting Unusual Magnetic Properties.","Inorganic chemistry","2015","54","1","117","131","10.1021/ic501900d","","","0.71073","MoKα","","0.0854","0.0505","","","0.1483","0.1624","","","","","","1.014","","","","has coordinates,has disorder","179522","2020-10-21","18:00:00",""
"4342147","23.0044","0.0006","11.38343","0.00019","23.2147","0.0008","90","","117.671","0.004","90","","5383.9","0.3","149.8","0.8","149.8","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C48 H64 Ga4 N8 -","- C48 H64 Ga4 N8 -","- C192 H256 Ga16 N32 -","4","0.5","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.7107","MoKα","","0.0461","0.0314","","","0.0682","0.0747","","","","","","1.085","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342730","28.3992","0.001","10.9024","0.0003","40.7714","0.0006","90","","106.75","0.003","90","","12088","0.6","100","","100","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C73 H92 Bi6 Br24 Cl2 Fe6 O12 -","- C73 H92 Bi6 Br24 Cl2 Fe6 O12 -","- C292 H368 Bi24 Br96 Cl8 Fe24 O48 -","4","0.5","","Wójcik, Katarzyna; Preda, Ana Maria; Mertens, Lutz; Ecorchard, Petra; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Iron-bismuth halido compounds: molecules, clusters, and polymers.","Inorganic chemistry","2015","54","8","3905","3912","10.1021/acs.inorgchem.5b00088","","","1.54184","CuKα","","0.0543","0.0423","","","0.1117","0.1212","","","","","","1.036","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342840","16.3625","0.0001","10.8968","0.0001","21.5483","0.0002","90","","108.094","0.001","90","","3652.04","0.06","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C30 H40 B2 Cu F8 N10 O4 -","- C30 H40 B2 Cu F8 N10 O4 -","- C120 H160 B8 Cu4 F32 N40 O16 -","4","0.5","","Miller, Reece G.; Brooker, Sally","Spin Crossover, Reversible Redox, and Supramolecular Interactions in 3d Complexes of 4-(4-Pyridyl)-2,5-dipyrazyl-pyridine.","Inorganic chemistry","2015","54","11","5398","5409","10.1021/acs.inorgchem.5b00428","","","0.71073","MoKα","","0.0489","0.0477","","","0.1428","0.1455","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342986","12.652","0.003","7.3448","0.0018","12.726","0.003","90","","97.547","0.004","90","","1172.3","0.5","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","selenium dicyanide difluoride propionitrile-solvate","","- C8 H10 F2 N4 Se -","- C8 H10 F2 N4 Se -","- C32 H40 F8 N16 Se4 -","4","0.5","","Fritz, Stefanie; Ehm, Christian; Lentz, Dieter","Structure and Chemistry of SeFx(CN)4-x Compounds.","Inorganic chemistry","2015","54","11","5220","5231","10.1021/acs.inorgchem.5b00107","","","0.71073","MoKα","","0.0202","0.0175","","","0.0438","0.045","","","","","","1.074","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4343384","24.9815","0.001","7.2648","0.0003","28.8575","0.0011","90","","102.905","0.004","90","","5104.9","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 F6 N3 O2 P Pt -","- C28 H22 F6 N3 O2 P Pt -","- C224 H176 F48 N24 O16 P8 Pt8 -","8","1","","Stacey, Oliver J.; Platts, James A.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.","Phosphorescent, Cyclometalated Cinchophen-Derived Platinum Complexes: Syntheses, Structures, and Electronic Properties.","Inorganic chemistry","2015","54","13","6528","6536","10.1021/acs.inorgchem.5b00817","","","0.71075","MoKα","","0.0988","0.0531","","","0.09","0.1034","","","","","","0.984","","","","has coordinates,has disorder","154604","2020-10-21","18:00:00",""
"4343522","26.4467","0.0004","7.152","0.0002","17.9404","0.0002","90","","97.794","0.002","90","","3362.02","0.11","100","0.1","100","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C13 H13 Cl F3 N3 O3 Pt S -","- C13 H13 Cl F3 N3 O3 Pt S -","- C104 H104 Cl8 F24 N24 O24 Pt8 S8 -","8","1","","Lo, Warrick K. C.; Huff, Gregory S.; Preston, Dan; McMorran, David A.; Giles, Gregory I.; Gordon, Keith C.; Crowley, James D.","A Dinuclear Platinum(II) N4Py Complex: An Unexpected Coordination Mode For N4Py.","Inorganic chemistry","2015","54","14","6671","6673","10.1021/acs.inorgchem.5b01032","","","1.54184","CuKα","","0.0645","0.063","","","0.1663","0.1779","","","","","","1.399","","","","has coordinates","154620","2020-10-21","18:00:00",""
"4343708","10.036","","8.932","","11.294","","90","","100.57","","90","","995.233","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(H2 Ga) H2 (B H2)","","- B Ga H6 -","- B Ga H6 -","- B12 Ga12 H72 -","12","1.5","","Downs, A.J.; Greene, T.M.; Johnsen, E.; Morrison, C.A.; Brain, P.T.; Parsons, S.; Mills, I.M.; Rankin, D.W.H.; Aarset, K.; Pulham, C.R.; Page, E.M.; Rice, D.A.","Structure of the gaseous molecule H2 Ga (mue-H)2 B H2 as as determined by vibrational, electron diffraction, and ab initio studies, and structure of the crystalline solid at 110 K as determined by X-ray diffraction","Inorganic Chemistry","2001","40","","3484","3497","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344147","12.552","","9.7826","","7.9816","","90","","100.286","","90","","964.319","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Sr2 Al D7","","- Al D7 Sr2 -","- Al Sr2 -","- Al8 Sr16 -","8","1","","Zhang, Q.-A.; Nakamura, Y.; Oikawa, K.I.; Kamiyama, T.; Akiba, E.","Synthesis and crystal structure of Sr2 Al H7: a new structural typeof alkaline earth aluminium hydride","Inorganic Chemistry","2002","41","","6547","6549","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344214","14.6576","","7.1188","","14.8152","","90","","105.799","","90","","1487.49","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Re2 (C O)10","","- C10 O10 Re2 -","- C10 O10 Re2 -","- C40 O40 Re8 -","4","0.5","","Churchill, M.R.; Amoh, K.N.; Wassermann, H.J.","Dedetermination of the crystal structure of ddimanganese decacarbonyl and determination of the crystal structure of dirhenium decacarbonyl. Revised values for the Mn-Mn and Re-Re bond lengths in Mn2 (C O)10 and Re2 (C O)10","Inorganic Chemistry","1981","20","","1609","1611","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"4344215","14.135","","7.0999","","14.6277","","90","","105.167","","90","","1416.86","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Mn2 (C O)10","","- C10 Mn2 O10 -","- C10 Mn2 O10 -","- C40 Mn8 O40 -","4","0.5","","Churchill, M.R.; Amoh, K.N.; Wassermann, H.J.","Redetermination of the Crystal Structure of Dimanganese Decacarbonyl and Determination of the Crystal Structure of Dirhenium Decacarbonyl. Revised Values for the Mn-Mn and Re-Re Bond Lengths In Mn2 (C O)10 and Re2 (C O)10","Inorganic Chemistry","1981","20","","1609","1611","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"4344314","12.18","","6.35","","19.2","","90","","93.3","","90","","1482.52","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(Mn (C O)5) H","","- C5 H Mn O5 -","- C5 Mn O5 -","- C40 Mn8 O40 -","8","1","","la Placa, S.J.; Hamilton, W.C.; Ibers, J.A.","Crystal and molecular structure of manganese pentacarbonyl hydride","Inorganic Chemistry","1964","3","","1491","1495","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"4344378","17.477","","5.384","","21.3","","90","","102.83","","90","","1954.21","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(Xe2 F11)2 (Ni F6)","","- F28 Ni Xe4 -","- F28 Ni Xe4 -","- F112 Ni4 Xe16 -","4","0.5","","Jesih, A.; Lutar, K.; Leban, I.; Zemva, B.","Synthesis and crystal structure of ((Xe2 F11)(+))2 (Ni F6)(2-)","Inorganic Chemistry","1989","28","","2911","2914","","","","","","","","","","","","","","","","","","","","","","has coordinates","206169","2020-10-21","18:00:00",""
"4344674","16.929","0.0003","18.4658","0.0003","23.7388","0.0005","90","","101.62","0.002","90","","7268.8","0.2","170","","170","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H36.5 Cl Li N2 O14.25 U -","- C28 H36.5 Cl Li N2 O14.25 U -","- C224 H292 Cl8 Li8 N16 O114 U8 -","8","1","","Mäkelä, Toni; Minkkinen, Miia-Elina; Rissanen, Kari","Ion Pair Binding in the Solid-State with Ditopic Crown Ether Uranyl Salophen Receptors.","Inorganic chemistry","2016","55","3","1339","1346","10.1021/acs.inorgchem.5b02780","","","0.71073","MoKα","","0.0343","0.0266","","","0.0639","0.0666","","","","","","1.063","","","","has coordinates,has disorder","175565","2020-10-21","18:00:00",""
"4344764","12.4415","0.001","8.5818","0.0004","12.4877","0.0007","90","","105.143","0.006","90","","1287.02","0.14","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C6 H8 Cu3 N5 -","- C6 H8 Cu3 N5 -","- C24 H32 Cu12 N20 -","4","0.5","","Xu, Xiao-Yan; Chen, Qiu-Cheng; Yu, Ya-Dong; Huang, Xiao-Chun","Ligand Induced Anionic Cuprous Cyanide Framework for Cupric Ion Turn on Luminescence Sensing and Photocatalytic Degradation of Organic Dyes.","Inorganic chemistry","2015","55","1","75","","10.1021/acs.inorgchem.5b01820","","","0.71073","MoKα","","0.0544","0.0473","","","0.1281","0.1349","","","","","","1.056","","","","has coordinates,has disorder","175623","2020-10-21","18:00:00",""
"4345213","23.741","0.004","8.2881","0.0012","37.026","0.005","90","","93.187","0.004","90","","7274.3","1.9","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H24 Br Cl0 Ga N4 -","- C34 H24 Br Ga N4 -","- C272 H192 Br8 Ga8 N32 -","8","1","","Enakieva, Yulia Yu; Volostnykh, Marina V.; Nefedov, Sergey E.; Kirakosyan, Gayane A.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu; Bessmertnykh-Lemeune, Alla G; Stern, Christine; Guilard, Roger","Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self-Assembly of meso-Porphyrinylphosphonic Acid Monoester.","Inorganic chemistry","2017","56","5","3055","3070","10.1021/acs.inorgchem.6b03160","","","0.71073","MoKα","","0.1471","0.0664","","","0.161","0.1922","","","","","","1.003","","","","has coordinates,has disorder","194788","2020-10-21","18:00:00",""
"4345400","14.9932","0.0005","14.8032","0.0005","16.2377","0.0009","90","","90.722","0.001","90","","3603.6","0.3","289","2","289.6","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- O8 Rb2 Si2 U -","- O8 Rb2 Si2 U -","- O128 Rb32 Si32 U16 -","16","2","","Morrison, Gregory; Smith, Mark D.; Zur Loye, Hans-Conrad","Flux versus Hydrothermal Growth: Polymorphism of A2(UO2)Si2O6 (A = Rb, Cs).","Inorganic chemistry","2017","56","3","1053","1056","10.1021/acs.inorgchem.6b02931","","","0.71073","MoKα","","0.0613","0.0258","","","0.0441","0.0535","","","","","","1.049","","","","has coordinates","192959","2020-10-21","18:00:00",""
"4346039","12.9544","0.0004","17.2117","0.0005","19.2876","0.0008","90","","108.421","0.004","90","","4080.1","0.3","123","2","123","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H56 Ge2 N4 O3 Ru -","- C37 H56 Ge2 N4 O3 Ru -","- C148 H224 Ge8 N16 O12 Ru4 -","4","0.5","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Amidinatogermylene derivatives of ruthenium carbonyl: new insights into the reactivity of [Ru3(CO)12] with two-electron-donor reagents of high basicity.","Inorganic chemistry","2015","54","6","2983","2994","10.1021/acs.inorgchem.5b00084","","","1.5418","CuKα","","0.0407","0.033","","","0.087","0.0933","","","","","","1.06","","","","has coordinates","231590","2020-10-21","18:00:00",""
"4346202","22.8542","0.0009","10.1193","0.0004","33.3249","0.0012","90","","108.148","0.002","90","","7323.6","0.5","90","2","90","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C84 H122 O6 -","- C84 H122 O6 -","- C336 H488 O24 -","4","0.5","","Zhao, Pei; Lei, Hao; Ni, Chengbao; Guo, Jing-Dong; Kamali, Saeed; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Nagase, Shigeru; Power, Philip P.","Quasi-three-coordinate iron and cobalt terphenoxide complexes {Ar(iPr8)OM(μ-O)}2 (Ar(iPr8) = C6H-2,6-(C6H2-2,4,6-(i)Pr3)2-3,5-(i)Pr2; M = Fe or Co) with M(III)2(μ-O)2 core structures and the peroxide dimer of 2-oxepinoxy relevant to benzene oxidation.","Inorganic chemistry","2015","54","18","8914","8922","10.1021/acs.inorgchem.5b00930","","","1.54178","CuKα","","0.0677","0.0539","","","0.1434","0.1539","","","","","","1.023","","","","has coordinates,has disorder","231656","2020-10-21","18:00:00",""
"4346327","31.733","0.004","14.8847","0.0015","35.418","0.003","90","","112.669","0.008","90","","15437","3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C56 H88 Cl4 O20 P4 S4 Zn4 -","- C56 H88 Cl4 O20 P4 S4 Zn4 -","- C448 H704 Cl32 O160 P32 S32 Zn32 -","8","1","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.0471","0.0451","","","0.1055","0.1067","","","","","","1.079","","","","has coordinates,has disorder","231728","2020-10-21","18:00:00",""
"4346329","17.828","0.004","22.866","0.004","21.186","0.004","90","","96.233","0.014","90","","8586","3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H84 Cl4 N4 O20 P4 Zn4 -","- C68 H84 Cl4 N4 O20 P4 Zn4 -","- C272 H336 Cl16 N16 O80 P16 Zn16 -","4","0.5","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.0464","0.0439","","","0.0921","0.0931","","","","","","1.205","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346330","17.827","0.005","23.067","0.006","21.21","0.005","90","","95.394","0.019","90","","8683","4","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H84 Br4 N4 O20 P4 Zn4 -","- C68 H84 Br4 N4 O20 P4 Zn4 -","- C272 H336 Br16 N16 O80 P16 Zn16 -","4","0.5","","Dar, Aijaz A.; Sen, Saumik; Gupta, Sandeep K.; Patwari, G. Naresh; Murugavel, Ramaswamy","Octanuclear zinc phosphates with hitherto unknown cluster architectures: ancillary ligand and solvent assisted structural transformations thereof.","Inorganic chemistry","2015","54","19","9458","9469","10.1021/acs.inorgchem.5b01308","","","0.71075","MoKα","","0.0583","0.0538","","","0.0952","0.0968","","","","","","1.177","","","","has coordinates","231728","2020-10-21","18:00:00",""
"4346447","18.6633","0.0001","14.0837","0.0001","18.5416","0.0001","90","","93.0418","0.0005","90","","4866.76","0.05","119.9","0.14","119.9","0.14","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","(E)-3-[(pyridin-2-ylamino)phenylmethylidene]-1,3-dihydro-2H- 1-phenylpyrrolo[2,3-b]quinoxalin-2-one with Zn(II) 2:1 copmplex and 0.90 methanol","","- C57.8 H43.2 N10 O3.8 Zn -","- C57.8 H36 N10 O3.8 Zn -","- C231.2 H144 N40 O15.2 Zn4 -","4","0.5","","Ostrowska, Katarzyna; Musielak, Bogdan; Szneler, Edward; Dudek, Łukasz; Gryl, Marlena; Stadnicka, Katarzyna","Chelate Ring Size Effect as a Factor of Selective Fluorescent Recognition of Zn(2+) Ions by Pyrrolo[2,3-b]quinoxaline with a Substituted 2-Pyridyl Group Receptor.","Inorganic chemistry","2015","54","17","8423","8435","10.1021/acs.inorgchem.5b01533","","","1.54184","CuKα","","0.0364","0.0355","","","0.1004","0.1011","","","","","","1.068","","","","has coordinates","231780","2020-10-21","18:00:00",""
"4346766","11.7715","0.001","40.674","0.002","47.236","0.005","90","","91.518","0.011","90","","22608","3","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C170 H108 F78 N41 O3 P13 Pt6 Ru -","- C170 H108 F78 N41 O3 P13 Pt6 Ru -","- C680 H432 F312 N164 O12 P52 Pt24 Ru4 -","4","0.5","","Shi, Pengfei; Coe, Benjamin J.; Sánchez, Sergio; Wang, Daqi; Tian, Yupeng; Nyk, Marcin; Samoc, Marek","Uniting Ruthenium(II) and Platinum(II) Polypyridine Centers in Heteropolymetallic Complexes Giving Strong Two-Photon Absorption.","Inorganic chemistry","2015","54","23","11450","11456","10.1021/acs.inorgchem.5b02089","","x-ray","1.54184","CuKα","","0.169","0.1352","","","0.326","0.3556","","","","","","1.964","","","","has coordinates,has disorder","231971","2020-10-21","18:00:00",""
"4346907","20.5952","0.001","13.0143","0.0006","26.4203","0.0012","90","","94.0172","0.0008","90","","7064.1","0.6","100","2","100","2","","","","","","","synthetical product","5","I 1 2/a 1","-I 2ya","15","[2,2'-{5-[(tert-butylamino)carbonyl]-3-[2-(tert-butylamino)-2-oxoethyl]imi- dazolidine-2,4-diyl}diphenolato-O,O',O""]-dioxo-molybdenum(VI) heptane methanol solvate (2:1:4)","[2,2'-{5-[(tert-butylamino)carbonyl]-3-[2-(tert-butylamino)-2-oxoethyl]imi- dazolidine-2,4-diyl}diphenolato-O,O',O""]-dioxo-molybdenum(VI) heptane methanol solvate (2:1:4)","","- C63 H100 Mo2 N8 O16 -","- C63 H100 Mo2 N8 O16 -","- C252 H400 Mo8 N32 O64 -","4","0.5","","Zwettler, Niklas; Dupé, Antoine; Schachner, Jörg A; Belaj, Ferdinand; Mösch-Zanetti, Nadia C","Templated C-C and C-N Bond Formation Facilitated by a Molybdenum(VI) Metal Center.","Inorganic chemistry","2015","54","24","11969","11976","10.1021/acs.inorgchem.5b02347","","","0.71073","MoKα","","0.0285","0.0244","","","0.0636","0.0658","","","","","","1.058","","","","has coordinates,has disorder","232059","2020-10-21","18:00:00",""
"4347113","13.499","0.0005","5.6223","0.0002","22.2168","0.001","90","","100.521","0.001","90","","1657.81","0.11","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- La4 O22 Si4 V4.73 Zn0.27 -","- La4 O22 Si4 V4.729 Zn0.271 -","- La16 O88 Si16 V18.916 Zn1.084 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0317","0.0195","","","0.033","0.0362","","","","","","1.122","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347114","13.438","0.0005","5.612","0.0002","22.1173","0.0009","90","","100.543","0.0008","90","","1639.8","0.11","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Ce4 O22 Si4 V4.77 Zn0.23 -","- Ce4 O22 Si4 V4.766 Zn0.234 -","- Ce16 O88 Si16 V19.064 Zn0.936 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0197","0.0175","","","0.0411","0.0422","","","","","","1.315","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347115","13.3881","0.0004","5.6021","0.0002","22.0406","0.0008","90","","100.571","0.0007","90","","1625.02","0.1","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- O22 Pr4 Si4 V4.74 Zn0.26 -","- O22 Pr4 Si4 V4.741 Zn0.259 -","- O88 Pr16 Si16 V18.964 Zn1.036 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0197","0.0157","","","0.0317","0.0328","","","","","","1.158","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347116","13.3232","0.0007","5.6016","0.0003","21.9856","0.0015","90","","100.651","0.0017","90","","1612.55","0.16","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Nd4 O22 Si4 V4.53 Zn0.47 -","- Nd4 O22 Si4 V4.533 Zn0.467 -","- Nd16 O88 Si16 V18.132 Zn1.868 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln4V(5-x)Zn(x)Si4O22 (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure.","Inorganic chemistry","2016","55","4","1821","1830","10.1021/acs.inorgchem.5b02735","","","0.71073","MoKα","","0.0306","0.0214","","","0.0355","0.0378","","","","","","1.116","","","","has coordinates","232172","2020-10-21","18:00:00",""
"4347119","8.33531","0.00018","15.9159","0.0003","14.4471","0.0003","90","","101.03","0.002","90","","1881.2","0.07","99","","99","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","lead diiodide dipyridophenazine","","- C18 H10 I2 N4 Pb -","- C18 H10 I2 N4 Pb -","- C72 H40 I8 N16 Pb4 -","4","0.5","","Travis, Will; Knapp, Caroline E.; Savory, Christopher N.; Ganose, Alex M.; Kafourou, Panagiota; Song, Xingchi; Sharif, Zainab; Cockcroft, Jeremy K.; Scanlon, David O.; Bronstein, Hugo; Palgrave, Robert G.","Hybrid Organic-Inorganic Coordination Complexes as Tunable Optical Response Materials.","Inorganic chemistry","2016","55","7","3393","3400","10.1021/acs.inorgchem.5b02749","","x-ray","1.54184","CuKα","","0.0465","0.0444","","","0.1209","0.1235","","","","","","1.107","","","","has coordinates,has disorder","232175","2020-10-21","18:00:00",""
"4348611","24.891","0.004","56.715","0.018","28.901","0.007","90","","97.83","0.03","90","","40419","18","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C225.5 H127 Cl Co5 F50 N30 -","- C225.5 H127 Cl Co5 F50 N30 -","- C1804 H1016 Cl8 Co40 F400 N240 -","8","1","","Ooi, Shota; Tanaka, Takayuki; Osuka, Atsuhiro","Metal Complexes of meso-meso Linked Corrole Dimers.","Inorganic chemistry","2016","55","17","8920","8927","10.1021/acs.inorgchem.6b01422","","","1.54187","CuKα","","0.1945","0.0851","","","0.1971","0.2988","","","","","","1.139","","","","has coordinates,has disorder","233181","2020-10-21","18:00:00",""
"4348620","28.6281","0.001","4.218","0.0001","24.0685","0.001","90","","108.352","0.004","90","","2758.53","0.18","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C15 H12 N8 -","- C15 H12 N8 -","- C120 H96 N64 -","8","1","","Preston, Dan; Tucker, Robert A. J.; Garden, Anna L.; Crowley, James D.","Heterometallic [MnPtn(L)2n](x+) Macrocycles from Dichloromethane-Derived Bis-2-pyridyl-1,2,3-triazole Ligands.","Inorganic chemistry","2016","55","17","8928","8934","10.1021/acs.inorgchem.6b01435","","","1.54184","CuKα","","0.0545","0.0505","","","0.1546","0.1637","","","","","","1.361","","","","has coordinates","233199","2020-10-21","18:00:00",""
"4348701","25.7479","0.0004","8.52911","0.00012","27.6462","0.0004","90","","104.152","0.0015","90","","5887.02","0.15","123.01","0.1","123.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32.5 H37 Br N2 Ni O2 -","- C32.5 H37 Br N2 Ni O2 -","- C260 H296 Br8 N16 Ni8 O16 -","8","1","","Pelties, Stefan; Carter, Emma; Folli, Andrea; Mahon, Mary F.; Murphy, Damien M.; Whittlesey, Michael K.; Wolf, Robert","Influence of Ring-Expanded N-Heterocyclic Carbenes on the Structures of Half-Sandwich Ni(I) Complexes: An X-ray, Electron Paramagnetic Resonance (EPR), and Electron Nuclear Double Resonance (ENDOR) Study.","Inorganic chemistry","2016","55","21","11006","11017","10.1021/acs.inorgchem.6b01540","","x-ray","1.54184","CuKα","","0.0322","0.0292","","","0.076","0.0783","","","","","","1.032","","","","has coordinates,has disorder","233288","2020-10-21","18:00:00",""
"4348884","10.812","0.009","10.811","0.002","15.502","0.01","90","","93.41","0.06","90","","1808.8","1.9","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C7 F5 N2 Se2 -","- C7 F5 N2 Se2 -","- C56 F40 N16 Se16 -","8","1","","Melen, Rebecca L.; Less, Robert J.; Pask, Christopher M.; Rawson, Jeremy M.","Structural Studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry.","Inorganic chemistry","2016","55","22","11747","11759","10.1021/acs.inorgchem.6b01771","","","0.71069","MoKα","","0.0757","0.0416","","","0.0884","0.1026","","","","","","1.074","","","","has coordinates","233467","2020-10-21","18:00:00",""
"4348953","23.069","0.004","14.583","0.002","26.542","0.006","90","","97.276","0.002","90","","8857","3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C78 H79 F13 N6 O14 Pt2 S4 -","- C78 H79 F13 N6 O14 Pt2 S4 -","- C312 H316 F52 N24 O56 Pt8 S16 -","4","0.5","","DeMott, Jessica C.; Dekarske, John R.; McCulloch, Billy J.; Ozerov, Oleg V.","Cyclometallation of the NNN pincer ligand in complexes of platinum","Inorganic Chemistry Frontiers","2015","2","10","912","","10.1039/C5QI00102A","","","0.71073","MoKα","","0.0386","0.0289","","","0.0754","0.0816","","","","","","1.054","","","","has coordinates,has disorder","233507","2020-10-21","18:00:00",""
"4348997","26.593","0.003","9.8215","0.0008","51.956","0.005","90","","104.377","0.005","90","","13145","2","173","","173","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C146 H118 Cl4 F18 Ir3 N6 P9 -","- C146 H118 Cl4 F18 Ir3 N6 P9 -","- C584 H472 Cl16 F72 Ir12 N24 P36 -","4","0.5","","Rota Martir, Diego; Bansal, Ashu K.; Di Mascio, Vincent; Cordes, David B.; Henwood, Adam F.; Slawin, Alexandra M. Z.; Kamer, Paul C. J.; Martínez-Sarti, Laura; Pertegás, Antonio; Bolink, Henk J.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Enhancing the photoluminescence quantum yields of blue-emitting cationic iridium(iii) complexes bearing bisphosphine ligands","Inorganic Chemistry Frontiers","2016","3","2","218","","10.1039/C5QI00177C","","","0.71075","MoKα","","0.0417","0.0345","","","0.0854","0.0891","","","","","","1.028","","","","has coordinates,has disorder","233536","2020-10-21","18:00:00",""
"4349201","14.049","0.002","23.107","0.003","14.788","0.002","90","","95.085","0.004","90","","4781.7","1.1","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C55 H41 Au4 N4 O2 -","- C54 H40 Au4 N4 O -","- C216 H160 Au16 N16 O4 -","4","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0625","0.0427","","","0.0796","0.0903","","","","","","1.069","","","","has coordinates,has disorder","233696","2020-10-21","18:00:00",""
"4349202","14.5267","0.0012","22.4381","0.0019","14.9342","0.0016","90","0.004","97.384","0.004","90","0.007","4827.5","0.8","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H21 Au2 N3 -","- C28 H21 Au2 N3 -","- C224 H168 Au16 N24 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0768","0.0546","","","0.1058","0.1172","","","","","","1.063","","","","has coordinates,has disorder","233698","2020-10-21","18:00:00",""
"4349204","13.946","0.003","22.946","0.004","14.767","0.003","90","0.008","94.872","0.009","90","0.016","4708.4","1.6","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C55 H43 Au4 N5 O -","- C55 H43 Au4 N5 O -","- C220 H172 Au16 N20 O4 -","4","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1585","0.0798","","","0.1859","0.2505","","","","","","1.081","","","","has coordinates,has disorder","233702","2020-10-21","18:00:00",""
"4349205","14.3746","0.0013","22.3016","0.0017","15.6172","0.0016","90","","94.317","0.008","90","","4992.3","0.8","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H20 Au2 Br2 N2 -","- C27 H20 Au2 Br2 N2 -","- C216 H160 Au16 Br16 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.174","0.087","","","0.2033","0.2665","","","","","","0.994","","","","has coordinates","233704","2020-10-21","18:00:00",""
"4349206","14.3824","0.0008","22.3603","0.0009","15.4312","0.0007","90","0.005","94.258","0.003","90","0.003","4948.9","0.4","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H18 Au2 Cl2 N2 -","- C27 H20 Au2 Cl2 N2 -","- C216 H160 Au16 Cl16 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0861","0.0518","","","0.1018","0.1345","","","","","","1.083","","","","has coordinates","233706","2020-10-21","18:00:00",""
"4349208","14.2069","0.0014","22.8755","0.0017","14.8349","0.0011","90","0.007","95.445","0.004","90","0.004","4799.4","0.7","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C107 H78 Au8 N8 O -","- C107 H78 Au8 N8 O -","- C214 H156 Au16 N16 O2 -","2","0.25","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1184","0.086","","","0.2106","0.2474","","","","","","1.045","","","","has coordinates,has disorder","233710","2020-10-21","18:00:00",""
"4349209","14.0825","0.0019","13.9789","0.0014","21.934","0.002","90","0.009","92.577","0.006","90","0.006","4313.5","0.8","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 Au2 N2 -","- C26 H18 Au2 N2 -","- C208 H144 Au16 N16 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1954","0.0925","","","0.2198","0.2856","","","","","","1.017","","","","has coordinates","233712","2020-10-21","18:00:00",""
"4349211","14.126","0.002","22.8906","0.0011","14.886","0.0006","90","","95.518","0.009","90","","4791.1","0.7","123","","123","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H45 Au4 N5 O -","- C56 H45 Au4 N5 O -","- C224 H180 Au16 N20 O4 -","4","0.5","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.0678","0.0395","","","0.0616","0.0672","","","","","","1.011","","","","has coordinates,has disorder","233716","2020-10-21","18:00:00",""
"4349212","14.0428","0.0011","22.697","0.0014","15.0676","0.0012","90","","95.697","0.006","90","","4778.8","0.6","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H20.5 Au2 N2.5 -","- C28.5 H20.5 Au2 N2.5 -","- C228 H164 Au16 N20 -","8","1","","Seki, Tomohiro; Jin, Mingoo; Ito, Hajime","Introduction of a Biphenyl Moiety for a Solvent-Responsive Aryl Gold(I) Isocyanide Complex with Mechanical Reactivation.","Inorganic chemistry","2016","55","23","12309","12320","10.1021/acs.inorgchem.6b02107","","","0.71075","MoKα","","0.1628","0.0734","","","0.1621","0.2274","","","","","","1.048","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4349345","13.82","0.008","13.687","0.008","21.516","0.016","90","","93.216","0.005","90","","4063","5","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H18 Cl N4 O4 Re -","- C20 H18 Cl N4 O4 Re -","- C160 H144 Cl8 N32 O32 Re8 -","8","1","","Osinski, Allen J.; Blesener, Tanner; Hasheminasab, Abed; Holstrom, Cole; Nemykin, Victor N.; Herrick, Richard S.; Ziegler, Christopher J.","Re(CO)<sub>3</sub>-Templated Synthesis of Semihemiporphyrazines.","Inorganic chemistry","2016","55","24","12527","12530","10.1021/acs.inorgchem.6b02558","","","0.71073","MoKα","","0.0333","0.0296","","","0.073","0.0753","","","","","","1.097","","","","has coordinates","233879","2020-10-21","18:00:00",""
"4349535","21.3041","0.0003","14.3738","0.0002","21.3818","0.0003","90","","92.286","0.01","90","","6542.34","0.17","173","0.2","173","0.2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C112 H82 Co8 Li8 N16 O81 -","- C112 H82 Co8 Li8 N16 O81 -","- C224 H164 Co16 Li16 N32 O162 -","2","0.25","","Kim, Saet Byeol; Kim, Jeung Yoon; Jeong, Nak Cheon; Ok, Kang Min","Anisotropic Li+ ion conductivity in a large single crystal of a Co(iii) coordination complex","Inorganic Chemistry Frontiers","2017","4","1","79","","10.1039/C6QI00314A","","x-ray","0.71073","MoKα","","0.0739","0.037","","","0.0738","0.0832","","","","","","0.869","","","","has coordinates","234864","2020-10-21","18:00:00",""
"4349588","8.1133","0.0004","18.7948","0.001","19.0856","0.001","90","","98.877","0.005","90","","2875.5","0.3","173","0.1","173","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","cyq1","","- C32 H37 K O8 -","- C32 H37 K O8 -","- C128 H148 K4 O32 -","4","0.5","","Cui, Yaqin; Chen, Changjuan; Sun, Yangyang; Wu, Jincai; Pan, Xiaobo","Isoselective mechanism of the ring-opening polymerization of rac-lactide catalyzed by chiral potassium binolates","Inorganic Chemistry Frontiers","2017","4","2","261","","10.1039/C6QI00449K","","","0.71073","MoKα","","0.0789","0.0491","","","0.0961","0.1171","","","","","","1.05","","","","has coordinates","234901","2020-10-21","18:00:00",""
"4349948","22.941","0.005","7.6098","0.0012","34.505","0.007","90","","105.03","0.02","90","","5818","2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H61.5 Cu2 N12 O8 -","- C56 H64 Cu2 N12 O8 -","- C224 H256 Cu8 N48 O32 -","4","0.5","","Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.","An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON‒OFF‒ON” switching with intracellular Zn2+ detection","Inorganic Chemistry Frontiers","2019","6","3","736","","10.1039/C8QI01127C","","","0.71073","MoKα","","0.2602","0.118","","","0.2945","0.3998","","","","","","0.988","","","","has coordinates","236970","2020-10-21","18:00:00",""
"4349949","22.8871","0.0014","7.6537","0.0005","34.918","0.002","90","","105.51","0.007","90","","5893.9","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1","","- C28 H32 N6 O4 Zn -","- C28 H32 N6 O4 Zn -","- C224 H256 N48 O32 Zn8 -","8","1","","Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.","An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON‒OFF‒ON” switching with intracellular Zn2+ detection","Inorganic Chemistry Frontiers","2019","6","3","736","","10.1039/C8QI01127C","","","0.71073","MoKα","","0.0759","0.0545","","","0.1514","0.1769","","","","","","1.104","","","","has coordinates","236970","2020-10-21","18:00:00",""
"4350403","14.015","0.003","7.944","0.002","17.615","0.004","90","","102.05","0.02","90","","1918","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(tris-succinate)-bis(aquo-praseodymium(III)) hemihydrated","","- C12 H17 O14.5 Pr2 -","- C12 H17 O14.5 Pr2 -","- C48 H68 O58 Pr8 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","Mokα","","0.0342","0.0304","","","0.0894","0.0911","","","","","","1.149","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350404","13.981","0.003","7.91","0.002","17.561","0.004","90","","101.71","0.02","90","","1901.6","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(tris-succinate)-bis(aquo-neodymium(III)) hemihydrated","","- C12 H17 Nd2 O14.5 -","- C12 H17 Nd2 O14.5 -","- C48 H68 Nd8 O58 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","Mokα","","0.0579","0.0518","","","0.1526","0.1562","","","","","","1.159","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350405","13.919","0.003","7.842","0.002","17.457","0.004","90","","101.15","0.03","90","","1869.5","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","catena-bisaquo-tris-succinate-disamarium(III) hemihydrated","","- C12 H17 O14.5 Sm2 -","- C12 H17 O14.5 Sm2 -","- C48 H68 O58 Sm8 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","MoKα","","0.0364","0.0291","","","0.0776","0.0932","","","","","","1.062","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350406","13.894","0.004","7.809","0.002","17.421","0.006","90","","101.04","0.02","90","","1855.2","1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(tris-succinate)-bis(aquo-europium(III)) hemihydrated","","- C12 H17 Eu2 O14.5 -","- C12 H17 Eu2 O14.5 -","- C48 H68 Eu8 O58 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","Mokα","","0.0313","0.0278","","","0.0714","0.0731","","","","","","0.996","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350407","13.865","0.004","7.787","0.002","17.381","0.003","90","","101.02","0.02","90","","1842","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(tris-succinate)-bis(aquo-gadolinium(III)) hemihydrated","","- C12 H17 Gd2 O14.5 -","- C12 H17 Gd2 O14.5 -","- C48 H68 Gd8 O58 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","Mokα","","0.0362","0.03","","","0.0694","0.0711","","","","","","1.012","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350408","13.825","0.002","7.718","0.0007","17.321","0.003","90","","101.02","0.02","90","","1814.1","0.5","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(tris-succinate)-bis(aquo-dysprosium(III)) hemihydrated","","- C12 H17 Dy2 O14.5 -","- C12 H17 Dy2 O14.5 -","- C48 H68 Dy8 O58 -","4","0.5","","Manna, Subal Chandra; Zangrando, Ennio; Bencini, Alessandro; Benelli, Cristiano; Chaudhuri, Nirmalendu Ray","Syntheses, crystal structures, and magnetic properties of [Ln(III)2(Succinate)3(H2O)2].0.5H2O [Ln = Pr, Nd, Sm, Eu, Gd, and Dy] polymeric networks: unusual ferromagnetic coupling in Gd derivative.","Inorganic chemistry","2006","45","22","9114","9122","10.1021/ic060807d","","","0.71073","Mokα","","0.0293","0.0281","","","0.079","0.0798","","","","","","1.12","","","","has coordinates","239878","2020-10-21","18:00:00",""
"4350794","19.5539","0.0004","12.7308","0.0002","28.3182","0.0007","90","","108.978","0.003","90","","6666.3","0.3","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30.5 H51 Cl2 N2 P2 Re -","- C30.5 H51 Cl2 N2 P2 Re -","- C244 H408 Cl16 N16 P16 Re8 -","8","1","","Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.","Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.","Inorganic chemistry","2021","60","9","6115","6124","10.1021/acs.inorgchem.0c03778","","","1.54184","CuKα","","0.021","0.0208","","","0.0541","0.0542","","","","","","1.101","","","","has coordinates,has disorder","264806","2021-05-03","22:04:43",""
"4500530","29.7116","0.0004","8.84842","0.00009","11.31039","0.00009","90","","93.24","0.0008","90","","2968.76","0.06","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 Ca5 O30 P4 -","- C8 Ca5 O30 P4 -","- C32 Ca20 O120 P16 -","4","0.5","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","powder diffraction","x-ray","0.2998","","","","","","","","","0.13181","","4.02","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501627","12.482","0.004","11.464","0.004","23.561","0.008","90","","93.501","0.006","90","","3365","2","273","2","273","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","organotin sulfonate","","","- C26 H44 O8 S2 Sn2 -","- C26 H34 O8 S2 Sn2 -","- C104 H136 O32 S8 Sn8 -","4","0.5","","Chandrasekhar, Vadapalli; Singh, Puja","In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies","Crystal Growth & Design","2010","10","7","3077","","10.1021/cg100179q","","","0.71073","MoKα","","0.0883","0.0712","","","0.2063","0.2221","","","","","","1.143","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4502021","12.9161","0.0002","23.294","0.0004","14.1869","0.0002","90","","94.2482","0.0014","90","","4256.65","0.12","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H14.5 Cd N0.5 O5.5 Si0.5 -","- C14 H8 Cd O5 Si0.5 -","- C112 H64 Cd8 O40 Si4 -","8","1","","Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts","Crystal Growth & Design","2010","10","10","4571","","10.1021/cg1008768","","","0.71073","MoKα","","0.0474","0.0375","","","0.1302","0.1407","","","","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502022","13.0355","0.0018","22.908","0.004","13.882","0.004","90","","93.07","0.019","90","","4139.5","1.5","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H21.25 Mn N1.25 O6.25 Si0.5 -","- C14 H10 Mn O5 Si0.5 -","- C112 H80 Mn8 O40 Si4 -","8","1","","Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.","Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts","Crystal Growth & Design","2010","10","10","4571","","10.1021/cg1008768","","","1.54248","CuKα","","0.0338","0.0294","","","0.0863","0.0895","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502968","23.9011","0.0008","13.6947","0.0005","28.7631","0.0012","90","","92.381","0.005","90","","9406.6","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45 H36 Co I2 N6 -","- C45 H36 Co I2 N6 -","- C360 H288 Co8 I16 N48 -","8","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0556","0.0356","","","0.087","0.0931","","","","","","0.996","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4503185","17.85","0.004","10.684","0.002","19.96","0.004","90","","95.16","0.003","90","","3791.1","1.3","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 Ca3 N2 O14 -","- C34 H34 Ca3 N2 O14 -","- C136 H136 Ca12 N8 O56 -","4","0.5","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0923","0.0829","","","0.1981","0.2026","","","","","","1.18","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4504032","23.744","0.0007","11.958","0.0003","24.2389","0.0008","90","","91.506","0.002","90","","6879.8","0.4","170","2","170","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Bencylamide of 7,7-dimethyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid [1d]","","- C18 H25 N O3 -","- C18 H25 N O3 -","- C288 H400 N16 O48 -","16","2","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.0987","0.0804","","","0.2125","0.2465","","","","","","1.074","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504096","7.371","0.006","8.701","0.004","9.303","0.005","90","","109.05","0.04","90","","564","0.6","123","2","123","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","4-Ethynylpyridine","4-Ethynylpyridine","","- C7 H5 N -","- C7 H5 N -","- C28 H20 N4 -","4","0.5","","Thalladi, Venkat R.; Dabros, Marta; Gehrke, Annette; Weiss, Hans-Christoph; Boese, Roland","Crystal Engineering with ⋮C−H···N and C−H···N Hydrogen Bonds","Crystal Growth & Design","2007","7","4","598","","10.1021/cg060806w","","","0.71073","MoKα","","0.0971","0.0876","","","0.2181","0.2365","","","","","","1.066","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504643","14.3348","0.0006","16.1008","0.0007","18.8047","0.0012","90","","90.002","0.001","90","","4340.2","0.4","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","[N-(2-pyridyl)acetamide]2, heptanedioic acid","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C168 H224 N32 O48 -","8","1","","Aakeröy, Christer B.; Hussain, Izhar; Desper, John","2-Acetaminopyridine: A Highly Effective Cocrystallizing Agent","Crystal Growth & Design","2006","6","2","474","","10.1021/cg050391z","","","0.71073","MoKα","","0.0572","0.0509","","","0.1322","0.1368","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504894","19.144","0.0013","18.8439","0.0013","10.6967","0.0007","90","","90.257","0.001","90","","3858.8","0.5","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H35 B2 Cd F8 N12 O0.5 -","- C36 H34 B2 Cd F8 N12 O0.49 -","- C144 H136 B8 Cd4 F32 N48 O1.96 -","4","0.5","","Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.","Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering","Crystal Growth & Design","2005","5","3","1181","","10.1021/cg049609s","","","0.71073","MoKα","","0.0348","0.0339","","","0.0849","0.0855","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505657","20.445","0.004","5.2309","0.0009","23.008","0.004","90","","96.981","0.003","90","","2442.4","0.8","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-hexenoic acid : isonicotinamide","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.1129","0.0736","","","0.1794","0.1969","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505658","20.512","0.004","5.1675","0.001","23.694","0.005","90","","90.66","0.03","90","","2511.3","0.9","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","isonicotinamide : 4-nitrobenzoic acid","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C104 H88 N24 O40 -","8","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0678","0.0432","","","0.1097","0.12","","","","","","0.978","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4506818","14.8227","0.0003","20.0735","0.0005","22.3386","0.0006","90","","105.791","0.002","90","","6395.9","0.3","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C58 H72 Ag2 Cl2 N4 O16 S4 -","- C58 H72 Ag2 Cl2 N4 O16 S4 -","- C232 H288 Ag8 Cl8 N16 O64 S16 -","4","0.5","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.1083","0.0615","","","0.1664","0.1919","","","","","","1.038","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506905","23.314","0.002","14.4189","0.0015","18.072","0.002","90","","105.571","0.01","90","","5852.2","1.1","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C39 H39 N3 O22 Zn4 -","- C37 H31 N2 O22 Zn4 -","- C148 H124 N8 O88 Zn16 -","4","0.5","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0829","0.0703","","","0.2084","0.2212","","","","","","1.108","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506906","18.5152","0.0004","15.2446","0.0003","21.4278","0.0005","90","","100.999","0.002","90","","5937","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C41 H41 N3 O22 Zn4 -","- C39 H33 N2 O22 Zn4 -","- C156 H132 N8 O88 Zn16 -","4","0.5","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0923","0.0648","","","0.1923","0.1994","","","","","","1.075","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507445","19.937","0.006","10.001","0.003","35.707","0.014","90","","97.164","0.004","90","","7064","4","150","2","150","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C45 H73 Cu6 I2 Mo2 N13 O S8 -","- C42 H66 Cu6 I2 Mo2 N12 S8 -","- C168 H264 Cu24 I8 Mo8 N48 S32 -","4","0.5","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","0.6889","synchrotron","","0.0516","0.0397","","","0.1029","0.1077","","","","","","1.041","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4509490","19.2673","0.0007","8.3095","0.0003","22.2571","0.0013","90","","96.927","0.001","90","","3537.4","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H20 N4 O4 Zn -","- C15 H20 N4 O4 Zn -","- C120 H160 N32 O32 Zn8 -","8","1","","Basu, Tannistha; Sparkes, Hazel A.; Bhunia, Manas Kumar; Mondal, Raju","Identification of Reaction Conditions That Can Reproducibly Lead to a Particular Vertex Geometry: Quest for a Robust and Reproducible Metal-Carboxylate Noncluster-type SBU","Crystal Growth & Design","2009","9","8","3488","","10.1021/cg900195f","","","0.71073","MoKα","","0.0555","0.0402","","","0.1005","0.1101","","","","","","1.027","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4510273","14.5663","0.0006","13.4855","0.0005","24.6581","0.0014","90","","94.734","0.002","90","","4827.2","0.4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H18 Cu N4 O4 -","- C22 H18 Cu N4 O4 -","- C176 H144 Cu8 N32 O32 -","8","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0826","0.0621","","","0.1422","0.1491","","","","","","1.152","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510658","21.8346","0.0015","6.8446","0.0003","29.771","0.003","90","","99.016","0.008","90","","4394.3","0.6","290","2","290","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(BuGH)(F4TCNQ)","","","- C21 H14 F4 N9 O -","- C21 H14 F4 N9 O -","- C168 H112 F32 N72 O8 -","8","1","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","1.54187","CuKα","","0.3859","0.0613","","","0.1806","0.1935","","","","","","1.05","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510996","22.701","0.005","9.293","0.002","26.502","0.005","90","","105.19","0.03","90","","5396","2","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","3,5-Dihydroxybenzoic acid 1-propanol solvate","","","- C24 H22 O16 -","- C24 H22 O16 -","- C192 H176 O128 -","8","1","","Varughese, Sunil; Desiraju, Gautam R.","Using Water as a Design Element in Crystal Engineering. Host−Guest Compounds of Hydrated 3,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2010","10","9","4184","","10.1021/cg100872w","","","0.71073","MoKα","","0.0863","0.074","","","0.2152","0.2365","","","","","","1.057","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4511786","13.5472","0.0006","8.7132","0.0005","10.7662","0.0004","90","","99.987","0.004","90","","1251.58","0.1","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Li N O3 -","- C6 H4 Li N O3 -","- C48 H32 Li8 N8 O24 -","8","1","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0429","0.0353","","","0.0919","0.0964","","","","","","1.033","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4512121","22.7006","0.0007","7.2522","0.0002","24.5928","0.0008","90","","114.651","0.004","90","","3679.7","0.2","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H17 Cl2 F4 I2 N -","- C13 H17 Cl2 F4 I2 N -","- C104 H136 Cl16 F32 I16 N8 -","8","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Isostructural Co-crystals Derived from Molecules with Different Supramolecular Topologies","Crystal Growth & Design","2014","14","11","6041","","10.1021/cg501210t","","","0.71073","MoKα","","0.0328","0.0257","","","0.0632","0.0649","","","","","","1.101","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512501","22.3063","0.0004","18.246","0.0003","21.5618","0.0004","90","","95.649","0.002","90","","8733.1","0.3","150","0.1","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3","","- C61 H27 Cu6 O41 -","- C61 H27 Cu6 O41 -","- C244 H108 Cu24 O164 -","4","0.5","","Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.","Role of Ethynyl-Derived Weak Hydrogen-Bond Interactions in the Supramolecular Structures of 1D, 2D, and 3D Coordination Polymers Containing 5-Ethynyl-1,3-benzenedicarboxylate","Crystal Growth & Design","2015","15","1","465","","10.1021/cg501535b","","x-ray","0.71073","MoKα","","0.0776","0.057","","","0.1726","0.1871","","","","","","1.054","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512524","15.124","0.003","10.918","0.002","36.182","0.007","90","","102.063","0.004","90","","5842.6","1.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H26 Cd N12 O4 -","- C28 H26 Cd N12 O4 -","- C224 H208 Cd8 N96 O32 -","8","1","","Pratibha,; Verma, Sandeep","Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks","Crystal Growth & Design","2015","15","1","510","","10.1021/cg5016498","","","0.71073","MoKα","","0.1214","0.0778","","","0.2125","0.2335","","","","","","1.063","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512714","15.5077","0.0011","7.3367","0.0004","16.5357","0.001","90","","95.938","0.0016","90","","1871.3","0.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","<i>cis</i>Diiodidobis(8-aminoquinoline-κ^2^<i>N,N'</i>) cadmium(II)","","- C18 H16 Cd I2 N4 -","- C18 H16 Cd I2 N4 -","- C72 H64 Cd4 I8 N16 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.0338","0.0326","","","0.0876","0.0885","","","","","","1.061","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512716","15.35","0.003","7.2871","0.0015","16.305","0.003","90","","95.95","0.03","90","","1814","0.6","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H16 I2 Mn N4 -","- C18 H16 I2 Mn N4 -","- C72 H64 I8 Mn4 N16 -","4","0.5","","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Bolouri, Zahra; Rahmati, Zahra; Esmaeilzadeh, Atefeh; Hassanpoor, Azam; Bauza, Antonio; Ballester, Pablo; Barceló-Oliver, Miquel; Mague, Joel T.; Notash, Behrouz; Frontera, Antonio","Rationalization of Noncovalent Interactions within Six New MII/8-Aminoquinoline Supramolecular Complexes (MII= Mn, Cu, and Cd): A Combined Experimental and Theoretical DFT Study","Crystal Growth & Design","2015","15","3","1351","","10.1021/cg501752e","","","0.71073","MoKα","","0.0438","0.039","","","0.0993","0.1018","","","","","","1.077","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4513993","18.9022","0.0003","9.9937","0.0002","43.3265","0.0007","90","","91.431","0.0016","90","","8181.9","0.2","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H30 Ni O2 P2 -","- C30 H30 Ni O2 P2 -","- C360 H360 Ni12 O24 P24 -","12","1.5","","Dey, Aniruddha; Sasmal, Sheuli; Seth, Kapileswar; Lahiri, Goutam Kumar; Maiti, Debabrata","Nickel-Catalyzed Deamidative Step-Down Reduction of Amides to Aromatic Hydrocarbons","ACS Catalysis","2016","","","433","","10.1021/acscatal.6b03040","","x-ray","0.71073","MoKα","","0.0512","0.0356","","","0.1059","0.1343","","","","","","1.226","","","","has coordinates","189519","2020-10-21","18:00:00",""
"4514032","14.3819","0.0006","8.1017","0.0003","23.2784","0.0009","90","","91.397","0.004","90","","2711.54","0.18","130","2","130","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 N12 O2 -","- C26 H32 N12 O2 -","- C104 H128 N48 O8 -","4","0.5","","Wang, Yuanze; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tluscik, Justyna; Dömling, Alexander","Two Cycles with One Catch: Hydrazine in Ugi 4-CR and Its Postcyclizations.","ACS combinatorial science","2017","19","3","193","198","10.1021/acscombsci.7b00009","","x-ray","0.71073","MoKα","","0.045","0.0365","","","0.0876","0.0945","","","","","","1.047","","","","has coordinates","194775","2020-10-21","18:00:00",""
"4514372","10.875","0.004","9.029","0.003","33.42","0.011","90","","96.686","0.011","90","","3259.2","1.9","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H34 N2 O8 Zn -","- C36 H34 N2 O8 Zn0.999 -","- C144 H136 N8 O32 Zn3.996 -","4","0.5","","Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang","Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.","ACS applied materials & interfaces","2018","10","4","3801","3809","10.1021/acsami.7b17762","","","0.71073","MoKα","","0.0853","0.0535","","","0.1662","0.2028","","","","","","0.937","","","","has coordinates,has disorder","206109","2020-10-21","18:00:00",""
"4514558","10.5987","0.0002","19.9171","0.0004","12.7408","0.0003","90","","102.209","0.002","90","","2628.69","0.1","100","0.6","100","0.6","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C37 H29 N3 -","- C37 H29 N3 -","- C148 H116 N12 -","4","0.5","","Hu, Shimin; Zeng, Jiajie; Zhu, Xiangyu; Guo, Jingjing; Chen, Shuming; Zhao, Zujin; Tang, Ben Zhong","Universal Bipolar Host Materials for Blue, Green, and Red Phosphorescent OLEDs with Excellent Efficiencies and Small-Efficiency Roll-Off.","ACS applied materials & interfaces","2019","11","30","27134","27144","10.1021/acsami.9b06995","","x-ray","1.54184","CuKα","","0.0545","0.0522","","","0.1375","0.1397","","","","","","1.039","","","","has coordinates","219743","2020-10-21","18:00:00",""
"4514622","17.95158","0.00009","10.14969","0.00005","23.05206","0.00013","90","","98.418","0.0005","90","","4154.9","0.04","99.96","0.1","99.96","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H57 F6 N5 O6 -","- C44 H57 F6 N5 O6 -","- C176 H228 F24 N20 O24 -","4","0.5","","Zhang, Yunfei; Jermaks, Janis; MacMillan, Samantha N.; Lambert, Tristan H.","Synthesis of 2H-Chromenes via Hydrazine-Catalyzed Ring-Closing Carbonyl-Olefin Metathesis","ACS Catalysis","2019","9","10","9259","","10.1021/acscatal.9b03656","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0874","0.0879","","","","","","1.039","","","","has coordinates,has disorder","219807","2020-10-21","18:00:00",""
"4514717","17.7962","0.0006","4.9199","0.0002","19.1526","0.0006","90","","105.417","0.003","90","","1616.57","0.1","98","2","98","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H10 Br2 N2 O2 S -","- C18 H10 Br2 N2 O2 S -","- C72 H40 Br8 N8 O8 S4 -","4","0.5","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0249","0.0232","","","0.064","0.0656","","","","","","1.038","","","","has coordinates","219882","2020-10-21","18:00:00",""
"4515474","7.38319","0.0001","26.3138","0.0004","19.6731","0.0003","90","","93.6518","0.0013","90","","3814.33","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45.67 H35.35 Cl3.35 N2 O2 -","- C45.675 H35.3508 Cl3.35 N2 O2 -","- C182.7 H141.403 Cl13.4 N8 O8 -","4","0.5","","Ho, Hon Eong; Stephens, Thomas C.; Payne, Thomas J.; O’Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Merging π-Acid and Pd Catalysis: Dearomatizing Spirocyclization/Cross-Coupling Cascade Reactions of Alkyne-Tethered Aromatics","ACS Catalysis","2018","9","1","504","","10.1021/acscatal.8b03861","","x-ray","1.54184","CuKα","","0.049","0.045","","","0.1154","0.1189","","","","","","1.053","","","","has coordinates,has disorder","225629","2020-10-21","18:00:00",""
"4515823","14.0344","0.0009","13.358","0.0009","23.5713","0.0019","90","","95.985","0.007","90","","4394.9","0.5","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H53 Fe Ni P2 -","- C56 H53 Fe Ni P2 -","- C224 H212 Fe4 Ni4 P8 -","4","0.5","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","0.71073","MoKα","","0.0778","0.0475","","","0.1098","0.1246","","","","","","1.026","","","","has coordinates,has disorder","225926","2020-10-21","18:00:00",""
"4516053","12.3045","0.0005","14.5456","0.0007","21.5645","0.0008","90","","97.044","0.004","90","","3830.4","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H17 Ag N4 O4 -","- C20 H17 Ag N4 O4 -","- C160 H136 Ag8 N32 O32 -","8","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0515","0.0337","","","0.0592","0.0648","","","","","","1.023","","","","has coordinates","226078","2020-10-21","18:00:00",""
"4516095","14.6664","0.0012","10.081","0.0006","40.221","0.002","90","","97.759","0.007","90","","5892.3","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H29 I N O4 -","- C35 H30 I N O3 -","- C280 H240 I8 N8 O24 -","8","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","1.54184","CuKα","","0.0664","0.049","","","0.1282","0.1439","","","","","","1.026","","","","has coordinates","226108","2020-10-21","18:00:00",""
"4516460","18.317","0.007","10.15","0.004","25.277","0.013","90","","110.942","0.011","90","","4389","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C17 H22 Cr O7 Sn2 -","- C17 H22 Cr O7 Sn2 -","- C136 H176 Cr8 O56 Sn16 -","8","1","","Kundu, Subrata; Chandrasekhar, Vadapalli","η6-Benzene(tricarbonyl)chromium and Cymantrene Assemblies Supported on an Organostannoxane Platform","Crystal Growth & Design","2015","15","11","5437","","10.1021/acs.cgd.5b01064","","","0.71073","MoKα","","0.1034","0.0673","","","0.164","0.1853","","","","","","1.047","","","","has coordinates","231331","2020-10-21","18:00:00",""
"4516619","10.0749","0.0005","31.8249","0.0016","11.4229","0.0009","90","","92.371","0.002","90","","3659.4","0.4","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C38 H30 B2 F8 Fe N6 O2 S2 -","- C38 H30 B2 F8 Fe N6 O2 S2 -","- C152 H120 B8 F32 Fe4 N24 O8 S8 -","4","0.5","","Liang, Yawei; Strohecker, Daniel; Lynch, Vincent; Holliday, Bradley J.; Jones, Richard A.","A Thiophene-Containing Conductive Metallopolymer Using an Fe(II) Bis(terpyridine) Core for Electrochromic Materials.","ACS applied materials & interfaces","2016","8","50","34568","34580","10.1021/acsami.6b11657","","","0.71073","MoKα","","0.0368","0.0307","","","0.0804","0.0826","","","","","","1.066","","","","has coordinates,has disorder","239408","2020-10-21","18:00:00",""
"4516652","16.039","0.007","13.034","0.006","42.157","0.018","90","","100.927","0.014","90","","8653","7","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H36 Cd5 N8 O28 -","- C52 H36 Cd5 N8 O28 -","- C208 H144 Cd20 N32 O112 -","4","0.5","","Hong, Xu-Jia; Wei, Qin; Cai, Yue-Peng; Wu, Bing-Bing; Feng, Hai-Xing; Yu, Ying; Dong, Ren-Feng","Pillar-Layered Metal-Organic Framework with Sieving Effect and Pore Space Partition for Effective Separation of Mixed Gas C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub>.","ACS applied materials & interfaces","2017","9","34","29374","29379","10.1021/acsami.7b10420","","","0.71073","MoKα","","0.153","0.0895","","","0.2322","0.2603","","","","","","0.935","","","","has coordinates","239429","2020-10-21","18:00:00",""
"4516862","32.2177","0.0015","13.35","0.0006","39.051","0.002","90","","108.074","0.006","90","","15967.3","1.4","100","2","100","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C62 H90 Cl3 N8 Na O28.5 P Zn4 -","- C62 H58 Cl3 N8 Na O28.5 P Zn4 -","- C496 H464 Cl24 N64 Na8 O228 P8 Zn32 -","8","1","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Batha, Steven; Musie, Ghezai T.; Bera, Manindranath","Inorganic Phosphate and Arsenate within New Tetranuclear Copper and Zinc Complexes: Syntheses, Crystal Structures, Magnetic, Electrochemical, and Thermal Studies.","ACS omega","2017","2","4","1535","1549","10.1021/acsomega.7b00189","","","1.54184","CuKα","","0.1141","0.0977","","","0.2794","0.2989","","","","","","1.043","","","","has coordinates,has disorder","239601","2020-10-21","18:00:00",""
"4516997","13.6241","0.0005","19.7951","0.0009","15.5784","0.0006","90","","107.568","0.004","90","","4005.4","0.3","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H34 Cl2 Cu N6 O8 -","- C40 H34 Cl2 Cu N6 O8 -","- C160 H136 Cl8 Cu4 N24 O32 -","4","0.5","","Nath, Jitendra; Tarai, Arup; Baruah, Jubaraj B.","Copper(II), Zinc(II), and Cadmium(II) Formylbenzoate Complexes: Reactivity and Emission Properties.","ACS omega","2019","4","19","18444","18455","10.1021/acsomega.9b02779","","","0.71073","MoKα","","0.0633","0.045","","","0.1339","0.1556","","","","","","1.004","","","","has coordinates","239681","2020-10-21","18:00:00",""
"4517001","23.5392","0.0006","16.1604","0.0005","31.5068","0.0008","90","","97.42","0.002","90","","11884.9","0.6","296","","296","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C53 H44 B Cl2 F15 N3 V -","- C53 H44 B Cl1.7416 F15 N3 V -","- C424 H352 B8 Cl13.9328 F120 N24 V8 -","8","1","","Nomura, Kotohiro; Nagai, Go; Izawa, Itsuki; Mitsudome, Takato; Tamm, Matthias; Yamazoe, Seiji","XAS Analysis of Reactions of (Arylimido)vanadium(V) Dichloride Complexes Containing Anionic NHC That Contains a Weakly Coordinating B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> Moiety (WCA-NHC) or Phenoxide Ligands with Al Alkyls: A Potential Ethylene Polymerization Catalyst with WCA-NHC Ligands.","ACS omega","2019","4","20","18833","18845","10.1021/acsomega.9b02828","","","0.71073","MoKα","","0.0798","0.0511","","","0.1527","0.166","","","","","","1.082","","","","has coordinates","239683","2020-10-21","18:00:00",""
"4517029","26.0519","0.0012","9.2061","0.0003","28.816","0.0015","90","","113.376","0.006","90","","6343.9","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H18 N2 O S2 -","- C15 H18 N2 O S2 -","- C240 H288 N32 O16 S32 -","16","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.1007","0.0649","","","0.1451","0.1622","","","","","","1.071","","","","has coordinates,has disorder","239705","2020-10-21","18:00:00",""
"4517236","14.1307","0.0008","6.9551","0.0004","29.079","0.002","90","","90.359","0.002","90","","2857.8","0.3","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","phosphangulene selenide","4,8,12-Trioxa-12c-phosphadibenzo[cd,mn]pyrene 12c-selenide","","- C18 H9 O3 P Se -","- C18 H9 O3 P Se -","- C144 H72 O24 P8 Se8 -","8","1","","Alice Heskia; Thierry Maris; James D. Wuest","Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides","Cryst. Growth & Design","2019","19","","5390","5406","10.1021/acs.cgd.9b00907","","x-ray","1.34139","GaKα","","0.0647","0.0632","","","0.1756","0.1774","","","","","","1.057","","","","has coordinates,has Fobs","245444","2020-10-21","18:00:00",""
"4517565","20.621","0.003","5.6913","0.001","22.676","0.004","90","","99.462","0.012","90","","2625.1","0.8","150.15","","150.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36 H24 N2 Te -","- C36 H24 N2 Te -","- C144 H96 N8 Te4 -","4","0.5","","Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang","Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04005","","","0.71073","MoKα","","0.0247","0.0224","","","0.0599","0.0613","","","","","","1.073","","","","has coordinates","250685","2020-10-21","18:00:00",""
"4517570","11.9205","0.0018","16.126","0.002","13.885","0.002","90","","107.673","0.012","90","","2543.1","0.6","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36.16 H16 N4 S2 -","- C36.188 H16.188 N4 S1.812 -","- C144.752 H64.752 N16 S7.248 -","4","0.5","","Jin, Jianqun; Wu, Shanyu; Ma, Yudong; Dong, Caiqiao; Wang, Wei; Liu, Xitong; Xu, Haixiao; Long, Guankui; Zhang, Mingtao; Zhang, Jing; Huang, Wei","Nucleation Control-Triggering Cocrystal Polymorphism of Charge-Transfer Complexes Differing in Physical and Electronic Properties.","ACS applied materials & interfaces","2020","12","17","19718","19726","10.1021/acsami.9b23590","","","0.71073","MoKα","","0.0659","0.0486","","","0.1152","0.1228","","","","","","1.013","","","","has coordinates,has disorder","251419","2020-10-21","18:00:00",""
"4517574","43.3006","0.0008","12.9147","0.0002","24.7725","0.0004","90","","103.997","0.0017","90","","13441.8","0.4","123","","123","","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C65 H59 B Cl F24 Ir N2 O Si -","- C65 H59 B Cl F24 Ir N2 O Si -","- C520 H472 B8 Cl8 F192 Ir8 N16 O8 Si8 -","8","1","","Mahato, Sanjit K.; Chatani, Naoto","The Iridium(III)-Catalyzed Direct C(sp2)‒ and C(sp3)‒H Alkynylation of 2-Acylimidazoles with Various Alkynyl Bromides: Understanding the Full Catalytic Cycle","ACS Catalysis","2020","10","9","5173","5178","10.1021/acscatal.0c01189","","","1.54184","CuKα","","0.0443","0.0428","","","0.1168","0.118","","","","","","1.036","","","","has coordinates","257008","2020-10-21","18:00:00",""
"4517894","15.6929","0.0017","13.9942","0.0015","27.243","0.003","90","","98.547","0.008","90","","5916.4","1.1","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C46 H46 Br8 Cl2 Fe2 N8 O7 -","- C46 H46 Br8 Cl2 Fe2 N8 O7 -","- C184 H184 Br32 Cl8 Fe8 N32 O28 -","4","0.5","","Chakraborty, Aratrika; Chowdhury, Tania; Menéndez, María Isabel; Chattopadhyay, Tanmay","Iron Complexes Anchored onto Magnetically Separable Graphene Oxide Sheets: An Excellent Catalyst for the Synthesis of Dihydroquinazoline-Based Compounds","ACS Applied Materials & Interfaces","2020","","","","","10.1021/acsami.0c08616","","","0.71073","MoKα","","0.1348","0.0774","","","0.1544","0.1838","","","","","","1.083","","","","has coordinates","255318","2020-10-21","18:00:00",""
"4518576","7.131","0.0017","6.7157","0.0011","45.99","0.017","90","0.017","92.6","0.02","90","0.02","2200.2","1","150","2","150","2","","","","","","","synthesis as described","3","I 1 2/a 1","-I 2ya","15","PBNA","(2Z,2'Z)-3,3'-(1,4-phenylene)bis(2-(naphthalen-2-yl)acrylonitrile)","","- C16 H10 N -","- C16 H10 N -","- C128 H80 N8 -","8","1","","Liu, Liqun; Cai, Chang; Zhang, Zejian; Zhang, Shitong; Deng, Jian; Yang, Bing; Gu, Cheng; Ma, Yuguang","Lamellar Organic Light-Emitting Crystals Exhibiting Spectral Gain and 3.6% External Quantum Efficiency in Transistors","ACS Materials Letters","2021","","","428","432","10.1021/acsmaterialslett.1c00056","","x-ray","1.54178","CuKα","","0.1519","0.1195","","","0.3048","0.3421","","","","","","1.091","","","","has coordinates","263260","2021-03-23","22:42:33",""
"4518703","20.4736","0.0002","22.3662","0.0003","30.2829","0.0003","90","","93.322","0.001","90","","13843.7","0.3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C132 H156 N12 O24 -","- C132 H148 N12 O25 -","- C528 H592 N48 O100 -","4","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1766","0.1585","","","0.4472","0.4793","","","","","","2.2","","","","has coordinates,has disorder","265745","2021-06-04","00:57:01",""
"4518771","26.8708","0.0018","7.3323","0.0007","20.6528","0.0014","90","","95.548","0.006","90","","4050.1","0.5","150","2","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H25 N5 O6 -","- C19 H25 N5 O6 -","- C152 H200 N40 O48 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0744","0.0537","","","0.1391","0.1534","","","","","","1.02","","","","has coordinates","265731","2021-06-03","19:48:47",""
"4518774","7.7446","0.0001","15.5385","0.0002","36.6455","0.0007","90","","91.337","0.002","90","","4408.7","0.12","150","2","150.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H29 N5 O6 -","- C21 H29 N5 O6 -","- C168 H232 N40 O48 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0509","0.047","","","0.1337","0.1367","","","","","","1.076","","","","has coordinates,has disorder","265734","2021-06-03","19:49:56",""
"4518780","21.6169","0.001","9.6595","0.0007","23.7518","0.0011","90","","101.541","0.004","90","","4859.3","0.5","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C28 H32 O3 -","- C28 H33 O3 -","- C224 H264 O24 -","8","1","","Liao, Rui; Wang, Xiumei; Peng, Ling; Sun, Huibin; Huang, Wei","Achieving Organic Smart Fluorophores by Controlling the Balance between Intermolecular Interactions and External Stimuli.","ACS applied materials & interfaces","2021","13","23","27491","27499","10.1021/acsami.1c07252","","","0.71073","MoKα","","0.1294","0.0697","","","0.1925","0.2402","","","","","","1.006","","","","has coordinates","266954","2021-07-04","01:30:00",""
"4519007","14.4202","0.0006","9.3653","0.0004","37.5025","0.0017","90","","90.967","0.002","90","","5064","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","TFA salt of Py-BBP","","","- C58 H36 F12 N2 O10 -","- C58 H36 F12 N2 O10 -","- C232 H144 F48 N8 O40 -","4","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1403","0.0678","","","0.1347","0.1661","","","","","","1.05","","","","has coordinates","268432","2021-09-03","20:24:54",""
"4519038","23.9417","0.0011","9.4035","0.0004","33.0239","0.0019","90","","107.014","0.005","90","","7109.5","0.6","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C85 H78 Cl4 N2 O3 P2 -","- C85 H78 Cl4 N2 O3 P2 -","- C340 H312 Cl16 N8 O12 P8 -","4","0.5","","Sharma, Nidhi; Maciejczyk, Michal; Hall, David; Li, Wenbo; Liégeois, Vincent; Beljonne, David; Olivier, Yoann; Robertson, Neil; Samuel, Ifor D. W.; Zysman-Colman, Eli","Spiro-Based Thermally Activated Delayed Fluorescence Emitters with Reduced Nonradiative Decay for High-Quantum-Efficiency, Low-Roll-Off, Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","37","44628","44640","10.1021/acsami.1c12234","","x-ray","0.71073","MoKα","","0.0868","0.069","","","0.1882","0.2038","","","","","","1.022","","","","has coordinates","269465","2021-10-03","19:08:42",""
"4519114","15.6601","0.0003","8.15454","0.00013","23.5223","0.0005","90","","108.507","0.002","90","","2848.48","0.1","240","0.1","240","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H42 Mn N2 O2 S4 -","- C20 H42 Mn N2 O2 S4 -","- C80 H168 Mn4 N8 O8 S16 -","4","0.5","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0709","0.0679","","","0.1796","0.1825","","","","","","1.099","","","","has coordinates,has disorder","270254","2021-11-03","21:17:25",""
"4519308","16.9883","0.0004","11.5454","0.0003","25.4733","0.0006","90","","104.9","0.001","90","","4828.3","0.2","299","2","299","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","CQN2","","- C68 H42 N6 -","- C34 H21 N3 -","- C272 H168 N24 -","8","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.0756","0.0467","","","0.1236","0.1384","","","","","","1.139","","","","has coordinates","272479","2022-02-03","21:24:37",""
"6000379","10.041","","9.22","","10.469","","90","","91.6","","90","","968.82","","","","","","","","","","","","","7","I 1 2/a 1","","","","","","- C H6 Ga N3 O8 P2 Zn -","","","","","","Chippindale, A. M.; Cowley, A. R.; Peacock, K. J.","Synthesis and characterisation of [TH] [ZnGaP2O8] (T = CN3H5 and C4NH9); two microporous zinc-gallium phosphates with the gismondine structure","Microporous and Mesoporous Materials","1998","24","","133","141","10.1016/S1387-1811(98)00159-0","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000588","5.397","","5.441","","2.484","","90","","90.19","","90","","72.94","","","","","","","","","","","","","3","I 1 2/a 1","","","","","","- F4 Mn Ti -","","","","","","Nunez, P.; Tressaud, A.; Grannec, J.; Hagenmuller, P.; Massa, W.; Babel, D.; Boireau, A.; Soubeyroux, J. L.","Crystal and magnetic-structures of the layer compound TlMnF4","Zeitschrift Fur Anorganische Und Allgemeine Chemie","1992","609","","71","76","10.1002/zaac.19926090314","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000099","12.351","0.003","4.9484","0.001","14.51","0.003","90","","92.552","0.003","90","","885.9","0.3","150","","150","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C H8 Ga N -","- C H8 Ga N -","- C8 H64 Ga8 N8 -","8","1","","Marchant, Sarah; Tang, Christina Y.; Downs, Anthony J.; Greene, Tim M.; Himmel, Hans-Jörg; Parsons, Simon","Synthesis and structural characterisation of primary amine adducts of gallane, RH2N.GaH3, and of their decomposition products, [RHNGaH2]n(R = Me, n= 3; R =tBu, n= 2).","Dalton transactions (Cambridge, England : 2003)","2005","","20","3281","3290","10.1039/b508057f","","","0.71073","MoKα","","0.0254","0.022","","0.0543","0.0534","0.0543","","","","","","0.9947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000183","20.0646","0.0008","10.788","0.0004","23.705","0.0009","90","","111.046","0.002","90","","4788.8","0.3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H26 Cl N2 O0.5 P Pt0.5 -","- C28 H26 Cl N2 O0.5 P Pt0.5 -","- C224 H208 Cl8 N16 O4 P8 Pt4 -","8","1","","Elsegood, Mark R. J.; Lake, Andrew J.; Smith, Martin B.","A novel fluorene-containing κ4-P2N2-tetradentate platinum(II) complex","Dalton Transactions","2009","","1","30","32","10.1039/b816351k","","","0.71073","MoKα","","0.035","0.0208","","","0.0414","0.0471","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7000857","14.45109","0.00012","7.45243","0.00006","18.62581","0.00017","90","","98.5896","0.0008","90","","1983.42","0.03","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H20 Cl2 Mo N2 O4 -","- C18 H20 Cl2 Mo N2 O4 -","- C72 H80 Cl8 Mo4 N8 O16 -","4","0.5","","Whiteoak, Christopher J.; Britovsek, George J. P.; Gibson, Vernon C.; White, Andrew J. P.","Electronic effects in oxo transfer reactions catalysed by salan molybdenum(VI) cis-dioxo complexes","Dalton Transactions","2009","","13","2337","2344","10.1039/b820754b","","","1.54184","CuKα","","0.0227","0.0209","","","0.0592","0.0598","","","","","","1.111","","","","has coordinates","209579","2020-10-21","18:00:00",""
"7000864","18.1469","0.0004","8.8803","0.0002","19.394","0.0006","90","","95.936","0.001","90","","3108.58","0.14","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H22 N10 O4 Pd2 -","- C34 H22 N10 O4 Pd2 -","- C136 H88 N40 O16 Pd8 -","4","0.5","","Reed, Julie E.; White, Andrew J. P.; Neidle, Stephen; Vilar, Ramón","Effect of metal coordination on the interaction of substituted phenanthroline and pyridine ligands with quadruplex DNA","Dalton Transactions","2009","","14","2558","2568","10.1039/b820086f","","","0.71073","MoKα","","0.0325","0.0263","","","0.0611","0.0628","","","","","","1.071","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7000926","20.28","0.004","8.5334","0.0017","22.959","0.005","90","","106.53","0.03","90","","3809","1.5","153","2","153","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H14 F2 N2 S2 -","- C22 H14 F2 N2 S2 -","- C176 H112 F16 N16 S16 -","8","1","","Powell, Adam B.; Brown, Jaclyn R.; Vasudevan, Kalyan V.; Cowley, Alan H.","Facile syntheses of thiophene-substituted 1,4-diazabutadiene (α-diimine) ligands and their conversion to phosphenium triiodide salts","Dalton Transactions","2009","","14","2521","2527","10.1039/b820202h","","","0.71073","MoKα","","0.1172","0.0514","","","0.1133","0.1428","","","","","","0.945","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7001533","13.669","0.006","5.5673","0.0019","15.063","0.011","90","","90.909","0.006","90","","1146.1","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- H2 In2 Mo2 O14 Se2 -","- H2 In2 Mo2 O14 Se2 -","- H8 In8 Mo8 O56 Se8 -","4","0.5","","Kong, Fang; Hu, Chun-Li; Hu, Ting; Zhou, Yong; Mao, Jiang-Gao","Explorations of new phases in the GaIII/InIII‒MoVI‒SeIV/TeIV‒O systems","Dalton Transactions","2009","","25","4962","4970","10.1039/b903616d","","","0.71073","MoKα","","0.0232","0.0213","","","0.0494","0.0503","","","","","","1.108","","","","has coordinates","179713","2020-10-21","18:00:00",""
"7002597","15.2469","0.0007","24.3672","0.0011","18.297","0.0008","90","","108.416","0.0007","90","","6449.7","0.5","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Compound 5","","","- C63 H96 O8 V2 -","- C63 H96 O8 V2 -","- C252 H384 O32 V8 -","4","0.5","","Homden, Damien; Redshaw, Carl; Warford, Lee; Hughes, David L.; Wright, Joseph A.; Dale, Sophie H.; Elsegood, Mark R. J.","Synthesis, structure and ethylene polymerisation behaviour of vanadium(iv and v) complexes bearing chelating aryloxides","Dalton Transactions","2009","","41","8900","8910","10.1039/b901810g","","","0.71073","MoKα","","0.054","0.0383","","","0.0987","0.1119","","","","","","1.03","","","","has coordinates,has disorder","179729","2020-10-21","18:00:00",""
"7003194","12.884","0.0008","31.4296","0.0019","21.9485","0.0013","90","","101.676","0.001","90","","8703.9","0.9","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(5-(4-nitrophenyl)-15-(carbomethoxyphenyl)-10,20- bis(phenyl)porphyrinato) (tetrahydrofuran)zinc(ii)","[5-(4-nitrophenyl)-15-(carbomethoxyphenyl)-10,20-bis(phenyl)porphyrinato] (tetrahydrofuran)zinc(II)","","- C52 H39.5 N5 O5.5 Zn -","- C52 H39.5 N5 O5.5 Zn -","- C416 H316 N40 O44 Zn8 -","8","1","","Heinze, Katja; Reinhart, Anja","Structural and photophysical studies of trans-AB2C-substituted porphyrin ligands and their zinc and copper complexes","Dalton Transactions","2008","","4","469","480","10.1039/b713779f","","","0.71073","MoKα","","0.2113","0.0959","","","0.2344","0.336","","","","","","1.078","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7003686","23.67","0.016","8.918","0.006","25.608","0.017","90","","90.142","0.019","90","","5406","6","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H44 B2 P2 -","- C26 H44 B2 P2 -","- C208 H352 B16 P16 -","8","1","","Rodriguez, Amor; Fuks, Gad; Bourg, Jean-Baptiste; Bourissou, Didier; Tham, Fook S.; Bertrand, Guy","1,3-Diborata-2,4-diphosphoniocyclobutane-1,3-diyls communicate through a para-phenylene linker","Dalton Transactions","2008","","33","4482","4487","10.1039/b718631b","","","0.71073","MoKα","","0.0858","0.051","","","0.1029","0.1154","","","","","","1.068","","","","has coordinates,has disorder","179740","2020-10-21","18:00:00",""
"7003825","15.925","0.004","9.367","0.002","24.765","0.006","90","","94.39","0.03","90","","3683.3","1.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(Cu(4-Brpy)(N3)2)n","","","- C10 H8 Br2 Cu2 N14 -","- C10 H8 Br2 Cu2 N14 -","- C80 H64 Br16 Cu16 N112 -","8","1","","Abu-Youssef, Morsy A. M.; Escuer, Albert; Mautner, Franz A.; Öhrström, Lars","An unusual 3D-topology and dominant ferromagnetic couplings in two Cu(ii)‒azide coordination polymers","Dalton Transactions","2008","","27","3553","3558","10.1039/b800022k","","","0.71069","MoKα","","0.065","0.0481","","0.1283","","0.1134","","","1.062","","","1.078","","","","has coordinates","179742","2020-10-21","18:00:00",""
"7004725","20.842","0.007","10.536","0.003","38.478","0.015","90","","91.453","0.004","90","","8447","5","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27.09 H42.18 B3 Cu3 N12 O0.77 S6 -","- C27.088 H42.176 B3 Cu3 N12 O0.772 S6 -","- C216.704 H337.408 B24 Cu24 N96 O6.176 S48 -","8","1","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Panahi Mehr, Mohammad; Russo, Luca","Complexes of copper(i) and silver(i) with bis(methimazolyl)borate and dihydrobis(2-mercaptothiazolyl)borate ligands","Dalton Transactions","2008","","46","6641","6646","10.1039/b811369f","","","0.71073","MoKα","","0.1009","0.0447","","","0.0787","0.0909","","","","","","0.889","","","","has coordinates","179751","2020-10-21","18:00:00",""
"7005088","15.22","0.004","7.996","0.002","16.717","0.007","90","","91.089","0.003","90","","2034.1","1.1","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C4 H8 Cl4 O2 Re -","- C4 H8 Cl4 O2 Re -","- C32 H64 Cl32 O16 Re8 -","8","1","","Noh, Wontae; Girolami, Gregory S.","Rhenium oxohalides: synthesis and crystal structures of ReO3Cl(THF)2, ReOCl4(THF), Re2O3Cl6(THF)2, and Re2O3Cl6(H2O)2.","Dalton transactions (Cambridge, England : 2003)","2007","","6","674","679","10.1039/b616495a","","","0.71073","MoKα","","0.0455","0.0361","","","0.0752","0.0789","","","","","","1.015","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005419","14.69","0.003","11.06","0.002","21.173","0.004","90","","95.55","0.03","90","","3423.9","1.1","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H40 Ag2 N8 S8 W -","- C20 H40 Ag2 N8 S8 W -","- C80 H160 Ag8 N32 S32 W4 -","4","0.5","","Beheshti, Azizolla; Clegg, William; Dale, Sophie H.; Hyvadi, Reza; Hussaini, Farzanh","Synthesis and characterization of mixed-metal complexes of Ag/Cu and W/Mo and a complex of Ag with heterocyclic thione ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","27","2949","2956","10.1039/b702129a","","","0.71073","MoKα","","0.0278","0.0194","","","0.0358","0.0376","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7005420","14.405","0.0019","11.0792","0.0015","21.036","0.004","90","","99.087","0.002","90","","3315.1","0.9","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H40 Cu2 N8 S8 W -","- C20 H40 Cu2 N8 S8 W -","- C80 H160 Cu8 N32 S32 W4 -","4","0.5","","Beheshti, Azizolla; Clegg, William; Dale, Sophie H.; Hyvadi, Reza; Hussaini, Farzanh","Synthesis and characterization of mixed-metal complexes of Ag/Cu and W/Mo and a complex of Ag with heterocyclic thione ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","27","2949","2956","10.1039/b702129a","","","0.71073","MoKα","","0.0177","0.0167","","","0.0411","0.0415","","","","","","1.088","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7006192","17.9753","0.0009","15.5694","0.0006","25.0259","0.0011","90","","90.403","0.002","90","","7003.7","0.5","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C54 H113 N3 O20 Ti W5 -","- C54 H112 N3 O20 Ti W5 -","- C216 H448 N12 O80 Ti4 W20 -","4","0.5","","Errington, R. John; Petkar, Sagar S.; Middleton, Paul S.; McFarlane, William; Clegg, William; Coxall, Robert A.; Harrington, Ross W.","Non-aqueous synthetic methodology for TiW(5) polyoxometalates: protonolysis of [(MeO)TiW(5)O(18)](3-) with alcohols, water and phenols.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5211","5222","10.1039/b709732h","","","0.6934","synchrotron","","0.0513","0.0426","","","0.123","0.1274","","","","","","1.034","","","","has coordinates,has disorder","179765","2020-10-21","18:00:00",""
"7006377","17.648","0.003","8.9779","0.0016","29.053","0.006","90","","105.468","0.003","90","","4436.5","1.4","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H16 K2 N7 O1.5 Ru -","- C20 H14 K2 N7 O1.5 Ru -","- C160 H112 K16 N56 O12 Ru8 -","8","1","","Adams, Harry; Alsindi, Wassim Z.; Davies, Graham M.; Duriska, Martin B.; Easun, Timothy L.; Fenton, Hazel E.; Herrera, Juan-Manuel; George, Michael W.; Ronayne, Kate L.; Sun, Xue-Zhong; Towrie, Michael; Ward, Michael D.","New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2006","","1","39","50","10.1039/b509042c","","","0.71073","MoKα","","0.0998","0.0586","","","0.1269","0.1476","","","","","","1.105","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006572","16.3627","0.0009","11.4598","0.0006","21.3431","0.0014","90","","104.445","0.002","90","","3875.6","0.4","180","2","180","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C34 H44 Cl2 N6 Ni2 O8 S2 -","- C34 H44 Cl2 N6 Ni2 O8 S2 -","- C136 H176 Cl8 N24 Ni8 O32 S8 -","4","0.5","","Christensen, Aase; Mayer, Christoph; Jensen, Frank; Bond, Andrew D.; McKenzie, Christine J.","Controlled formation and topologies of thiophenolate-based macrocycles: rings, cylinders and bowls.","Dalton transactions (Cambridge, England : 2003)","2006","","1","108","120","10.1039/b512068c","","","0.71073","MoKα","","0.067","0.038","","","0.0876","0.096","","","","","","1.023","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7007456","13.8886","0.0004","24.7471","0.0011","14.5306","0.0008","90","","108.775","0.004","90","","4728.5","0.4","140","2","140","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C18 H21 Cl F6 N7 P Zn -","- C18 H21 Cl F6 N7 P Zn -","- C144 H168 Cl8 F48 N56 P8 Zn8 -","8","1","","Schiller, Alexander; Scopelliti, Rosario; Severin, Kay","Enhanced hydrolytic activity of Cu(II) and Zn(II) complexes in highly cross-linked polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3858","3867","10.1039/b605676h","","","0.71073","MoKα","","0.0334","0.0269","","","0.0723","0.0749","","","","","","1.05","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007457","13.5389","0.0009","24.865","0.002","14.5342","0.0011","90","","108.009","0.006","90","","4653.2","0.6","140","2","140","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C18 H21 Cl Cu F6 N7 P -","- C18 H21 Cl Cu F6 N7 P -","- C144 H168 Cl8 Cu8 F48 N56 P8 -","8","1","","Schiller, Alexander; Scopelliti, Rosario; Severin, Kay","Enhanced hydrolytic activity of Cu(II) and Zn(II) complexes in highly cross-linked polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","32","3858","3867","10.1039/b605676h","","","0.71073","MoKα","","0.0654","0.0438","","","0.1043","0.1135","","","","","","0.949","","","","has coordinates,has disorder","179778","2020-10-21","18:00:00",""
"7007488","19.3775","0.001","7.6358","0.0004","15.1202","0.0007","90","","93.305","0.001","90","","2233.5","0.19","150","1","150","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 Mn N4 O8 -","- C22 H22 Mn N4 O8 -","- C88 H88 Mn4 N16 O32 -","4","0.5","","Chen, Chun-Long; Ellsworth, Joseph M.; Goforth, Andrea M.; Smith, Mark D.; Su, Cheng-Yong; Zur Loye, Hans-Conrad","A new 2-carboxylate-substituted 4,4'-bipyridine ligand: coordination chemistry of 4,4'-bipyridine-2-carboxylic acid and its synthetic intermediate 2-methyl-4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5278","5286","10.1039/b606280f","","","0.71073","MoKα","","0.0391","0.0344","","","0.0833","0.086","","","","","","1.045","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007489","19.4456","0.0012","7.6438","0.0004","14.8027","0.0009","90","","93.582","0.001","90","","2195.9","0.2","150","1","150","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 N4 O8 Zn -","- C22 H22 N4 O8 Zn -","- C88 H88 N16 O32 Zn4 -","4","0.5","","Chen, Chun-Long; Ellsworth, Joseph M.; Goforth, Andrea M.; Smith, Mark D.; Su, Cheng-Yong; Zur Loye, Hans-Conrad","A new 2-carboxylate-substituted 4,4'-bipyridine ligand: coordination chemistry of 4,4'-bipyridine-2-carboxylic acid and its synthetic intermediate 2-methyl-4,4'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5278","5286","10.1039/b606280f","","","0.71073","MoKα","","0.0302","0.0277","","","0.0742","0.0753","","","","","","1.077","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7008221","17.164","0.002","11.3966","0.0009","20.0425","0.0015","90","","102.659","0.002","90","","3825.2","0.6","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H54 B10 P4 Pt2 -","- C32 H54 B10 P4 Pt2 -","- C128 H216 B40 P16 Pt8 -","4","0.5","","Bould, Jonathan; Kilner, Colin A.; Kennedy, John D.","The capture of dioxygen, carbon monoxide and sulfur dioxide by [(PMe2Ph)4Pt2B10H10].","Dalton transactions (Cambridge, England : 2003)","2005","","9","1574","1582","10.1039/b419243e","","","0.6933","synchrotron","","0.019","0.0181","","","0.0462","0.0466","","","","","","1.039","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008256","15.0078","0.0006","9.2569","0.0005","29.9742","0.0012","90","","100.063","0.005","90","","4100.1","0.3","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H30 Cu F N5 O7 -","- C15 H30 Cu F N5 O7 -","- C120 H240 Cu8 F8 N40 O56 -","8","1","","Spingler, Bernhard; Da Pieve, Chiara","Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1637","1643","10.1039/b500317b","","","0.71073","MoKα","","0.0824","0.0511","","","0.1286","0.145","","","","","","0.892","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008258","15.2026","0.0008","9.1232","0.0004","30.4076","0.0014","90","","100.81","0.006","90","","4142.6","0.4","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H30 F N5 O7 Zn -","- C15 H30 F N5 O7 Zn -","- C120 H240 F8 N40 O56 Zn8 -","8","1","","Spingler, Bernhard; Da Pieve, Chiara","Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1637","1643","10.1039/b500317b","","","0.71073","MoKα","","0.0616","0.0455","","","0.1258","0.1342","","","","","","1.048","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008525","12.663","0.004","10.626","0.003","16.51","0.005","90","","96.499","0.005","90","","2207.3","1.1","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H19 Mn N7 O2 -","- C23 H21 Mn N7 O2 -","- C92 H84 Mn4 N28 O8 -","4","0.5","","Naskar, Subhendu; Mishra, Dipankar; Chattopadhyay, Shyamal Kumar; Corbella, Montserrat; Blake, Alexander J.","Versatility of 2,6-diacetylpyridine (dap) hydrazones in stabilizing uncommon coordination geometries of Mn(II): synthesis, spectroscopic, magnetic and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2005","","14","2428","2435","10.1039/b503891j","","x-ray","0.71073","MoKα","","0.0811","0.0627","","","0.187","0.197","","","","","","1.07","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7010519","27.5907","0.0008","9.804","0.0003","36.9074","0.0011","90","","101.535","0.001","90","","9781.8","0.5","150","1","150","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","3 Rh6(CO)15(P(4-ClC6H4)3)","","","- C40 H28 Cl3 O15 P Rh6 -","- C40 H28 Cl3 O15 P Rh6 -","- C320 H224 Cl24 O120 P8 Rh48 -","8","1","","Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.","Ligand effects on the structures of Rh6(CO)15L clusters","Journal of the Chemical Society, Dalton Transactions","2001","","13","2015","","10.1039/b010109p","","","0.71073","MoKα","","0.0753","0.0416","","","0.0906","0.1012","","","","","","1.04","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010527","38.964","0.003","16.7659","0.0013","15.6148","0.001","90","","94.3748","0.0017","90","","10170.9","1.3","193","2","193","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C49 H62 Cl4 N2 O P2 Ti2 -","- C49 H62 Cl4 N2 O P2 Ti2 -","- C392 H496 Cl32 N16 O8 P16 Ti16 -","8","1","","Kamalesh Babu, Ruppa P.; McDonald, Robert; Cavell, Ronald G.","Mono- and bis-(iminophosphoranyl)methane titanium complexes","Journal of the Chemical Society, Dalton Transactions","2001","","14","2210","","10.1039/b010112p","","","0.71073","MoKα","","0.1105","0.0508","","","0.1085","0.1335","","","","","","0.889","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00",""
"7010578","25.13","0.02","12.55","0.02","25.98","0.02","90","","99.15","0.05","90","","8089","16","150","2","150","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C36.5 H33.75 F12 N2.25 O P3 Ru S2 -","- C36.5 H33 F12 N2.25 O P3 Ru S2 -","- C292 H264 F96 N18 O8 P24 Ru8 S16 -","8","1","","Arca, Massimiliano; Blake, Alexander J.; Casabò, Jaume; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Kivekas, Raikko; Muns, Vicent; Schröder, Martin; Verani, Gaetano","Conformationally locked pentadentate macrocycles containing the 1,10-phenanthroline unit. Synthesis and crystal structure of 5-oxa-2,8-dithia[9](2,9)-1,10-phenanthrolinophane (L) and its coordination properties to NiII, PdII, PtII, RhIII and RuII †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1180","","10.1039/b100493j","","","0.71073","MoKα","","0.0872","0.0585","","","0.1355","0.1561","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7010599","12.54","0.002","12.624","0.002","41.336","0.008","90","","90.69","0.03","90","","6543.2","1.9","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Di-μ-methoxo-μ-acetate-bis[(2-hydroxybenzyl)(2-(imidazol-2-yl)ethyl) amine]diiron(III) perchlorate","","- C28 H37 Cl Fe2 N6 O10 -","- C28 H37 Cl Fe2 N6 O10 -","- C224 H296 Cl8 Fe16 N48 O80 -","8","1","","Scarpellini, Marciela; Neves, Ademir; Bortoluzzi, Adailton João; Vencato, Ivo; Drago, Valderes; Ortiz, Wilson Aires; Zucco, César","A new FeIII(µ-OCH3)2(µ-OAc)FeIII complex containing phenolate and imidazole ligands as a structural model for the active site of non-heme diiron enzymes†","Journal of the Chemical Society, Dalton Transactions","2001","","18","2616","","10.1039/b100913n","","","0.71073","MoKα","","0.1386","0.0494","","","0.1219","0.1392","","","","","","0.93","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010622","21.556","0.004","23.387","0.005","23.239","0.005","90","","92.58","0.03","90","","11704","4","143","2","143","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C43 H58 Eu F9 N8 O18 S3 -","- C43 H48 Eu F9 N8 O18 S3 -","- C344 H384 Eu8 F72 N64 O144 S24 -","8","1","","Zucchi, Gaël; Scopelliti, Rosario; Bünzli, Jean-Claude G.","Importance of the chromophore orientation to the ligand-to-metal energy transfer in lanthanide complexes with pendant-arm fitted cyclen derivatives","Journal of the Chemical Society, Dalton Transactions","2001","","13","1975","","10.1039/b101312m","","","0.7107","MoKα","","0.0831","0.0656","","","0.1958","0.2097","","","","","","1.061","","","","has coordinates","179810","2020-10-21","18:00:00",""
"7010843","18.698","0.003","16.8087","0.0011","21.09","0.003","90","","109.15","0.014","90","","6261.6","1.5","294","2","294","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H21 Co2 Ni O7 P -","- C32 H21 Co2 Ni O7 P -","- C256 H168 Co16 Ni8 O56 P8 -","8","1","","John F. Gallagher; Peter Butler; Richard D. A. Hudson; Anthony R. Manning","Synthesis, characterisation and some reactions of alkynyl derivatives [Ni(η5-C5H5)(PPh3)CCX]","J. Chem. Soc., Dalton Trans.","2002","","1","75","82","10.1039/b104442g","","","0.7093","","","0.143","0.047","","","0.078","0.092","","","","","","0.9","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7011453","16.7656","0.0016","14.2673","0.0013","20.937","0.002","90","","112.287","0.002","90","","4634","0.8","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C11 H B Br9 N6 O2 Rh -","- C11 H B Br9 N6 O2 Rh -","- C88 H8 B8 Br72 N48 O16 Rh8 -","8","1","","Rheingold, Arnold L.; Liable-Sands, Louise M.; Incarvito, Christopher L.; Trofimenko, Swiatoslaw","Novel scorpionate ligands devoid of C‒H bonds: BpBr3 and TpBr3","Journal of the Chemical Society, Dalton Transactions","2002","","11","2297","","10.1039/b111568p","","","0.71073","MoKα","","0.0472","0.0309","","","0.0709","0.0764","","","","","","1.001","","","","has coordinates","179818","2020-10-21","18:00:00",""
"7011669","11.094","0.006","12.246","0.004","13.581","0.006","90","","93","0.03","90","","1842.5","1.4","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C9 H18 Eu2 O18 -","- C9 H6 Eu2 O18 -","- C36 H24 Eu8 O72 -","4","0.5","","María Hernández-Molina; Pablo Lorenzo-Luis; Catalina Ruiz-Pérez; Trinidad López; Inocencio R. Martín; Kirsty M. Anderson; A. Guy Orpen; Eduardo H. Bocanegra; Francesc Lloret; Miguel Julve","A phase transition in the novel three-dimensional compound [Eu2(mal)3(H2O)6] (H2mal = malonic acid)","J. Chem. Soc., Dalton Trans.","2002","","18","3462","3470","10.1039/b202649j","","","0.71073","MoKα","","0.0333","0.0332","","","0.0942","0.0942","","","","","","1.361","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011704","13.106","0.003","9.14","0.002","14.19","0.006","90","","98.862","0.004","90","","1679.5","0.9","153","2","153","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H12 Cu N8 -","- C16 H12 Cu N8 -","- C64 H48 Cu4 N32 -","4","0.5","","José Carranza; Conor Brennan; Jorunn Sletten; Francesc Lloret; Miguel Julve","Three one-dimensional systems with end-to-end dicyanamide bridges between copper(II) centres: structural and magnetic properties","J. Chem. Soc., Dalton Trans.","2002","","16","3164","3170","10.1039/b203085n","","","0.71073","MoKα","","0.0528","0.0342","","","0.0742","0.0783","","","","","","1.029","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012079","18.734","0.006","8.17","0.003","23.559","0.007","90","","96.82","0.005","90","","3580","2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","chloro-bis-(2,4-bis-(trifluoromethyl)-phenyl)-phosphane","","- C16 H6 Cl F12 P -","- C16 H6 Cl F12 P -","- C128 H48 Cl8 F96 P8 -","8","1","","Andrei S. Batsanov; Stéphanie M. Cornet; Keith B. Dillon; Andrés E. Goeta; Paul Hazendonk; Amber L. Thompson","New group 15 compounds containing the 2,4,6-(CF3)3C6H2 (fluoromes = Ar), 2,6-(CF3)2C6H3 (fluoroxyl = Ar') or 2,4-(CF3)2C6H3 (Ar″) ligands","J. Chem. Soc., Dalton Trans.","2002","","24","4622","4628","10.1039/b207327g","","","0.71073","MoKα","","0.0656","0.0435","","","0.1053","0.1158","","","","","","1.037","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012080","19.0725","0.0013","8.2148","0.0006","23.635","0.0015","90","","97.447","0.004","90","","3671.8","0.4","103","2","103","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","bromo-bis-(2,4-bis-(trifluoromethyl)-phenyl)-phosphane","","- C16 H6 Br F12 P -","- C16 H6 Br F12 P -","- C128 H48 Br8 F96 P8 -","8","1","","Andrei S. Batsanov; Stéphanie M. Cornet; Keith B. Dillon; Andrés E. Goeta; Paul Hazendonk; Amber L. Thompson","New group 15 compounds containing the 2,4,6-(CF3)3C6H2 (fluoromes = Ar), 2,6-(CF3)2C6H3 (fluoroxyl = Ar') or 2,4-(CF3)2C6H3 (Ar″) ligands","J. Chem. Soc., Dalton Trans.","2002","","24","4622","4628","10.1039/b207327g","","","0.71073","MoKα","","0.0325","0.0294","","","0.0713","0.0732","","","","","","1.04","","","","has coordinates,has disorder","179824","2020-10-21","18:00:00",""
"7012418","24.1596","0.0018","12.5832","0.0009","14.9739","0.0011","90","","91.791","0.002","90","","4549.9","0.6","190","2","190","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H27 Co N4 O11.5 S -","- C15 H22 Co N4 O11.5 S -","- C120 H176 Co8 N32 O92 S8 -","8","1","","Dong, Yu-Bin; Ma, Jian-Ping; Huang, Ru-Qi; Liang, Fang-Zhen; Smith, Mark D.","Synthesis and characterization of new coordination polymers generated from oxadiazole-containing ligand and inorganic M(ii) [M = Cu(ii), Co(ii)] salts","Dalton Transactions","2003","","8","1472","","10.1039/b210811a","","","0.71073","MoKα","","0.0922","0.0504","","","0.0894","0.0968","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012470","7.402","0.003","21.346","0.007","8.013","0.003","90","","106.26","0.03","90","","1215.4","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C8 H8 K2 O8 Zn -","- C8 H8 K2 O8 Zn -","- C32 H32 K8 O32 Zn4 -","4","0.5","","Bowden, Thomas A.; Milton, Heather L.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Hydrothermal syntheses and crystal structures of three zinc succinates: Zn(C4H4O4)-α, Zn(C4H4O4)-β and K2Zn(C4H4O4)2","Dalton Transactions","2003","","5","936","","10.1039/b211181k","","","0.71073","MoKα","","0.0809","0.0409","","","0.076","0.0846","","","","","","0.92","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012728","12.545","0.001","13.546","0.001","34","0.004","90","","95.04","0.01","90","","5755.4","0.9","293","2","140","1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","complex 10","","","- C30.5 H18 B Cl2 F10 N Ti -","- C30.5 H18 B Cl2 F10 N Ti -","- C244 H144 B8 Cl16 F80 N8 Ti8 -","8","1","","Lancaster, Simon J.; Hughes, David L.","The synthesis of half-sandwich bis(pentafluorophenyl)boryl-substituted cyclopentadienyl zirconium, niobium and tantalum complexes and the isolation and molecular structure of a zwitterionic niobocene","Dalton Transactions","2003","","9","1779","","10.1039/b300552f","","","0.71073","Mo-Kα","","0.0462","0.0331","","","0.086","0.0903","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013075","13.137","","15.949","","58.548","","90","","92.79","","90","","12252.6","","293","","293","","","","","","","","?","5","I 1 2/a 1","-I 2ya","15","","[N,N'-(3,3'-dipropylmethylaminebis(salicylideneaminato) N-propyltrimethylsilyl]cobalt","","- C75 Co N5 O5 Si3 -","- C75 Co N5 O5 Si3 -","- C600 Co8 N40 O40 Si24 -","8","1","","Francis Carré; Robert J. P. Corriu; Emmanuelle Lancelle-Beltran; Ahmad Mehdi; Catherine Reyé; Roger Guilard; Jan Sýkora; Arie van der Lee","X-Ray crystal structures of copper(II) and cobalt(II) complexes with Schiff base ligands. Reactivity towards dioxygen","Dalton Trans.","2003","","16","3211","3215","10.1039/b304032a","","","0.71073","MoKα","","","0.1722","","","","0.183","","","","","","0.8673","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013313","13.906","0.004","9.6511","0.0016","19.517","0.005","90","","98.17","0.03","90","","2592.8","1.1","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C22 H24 Fe2 Ni O2 P2 S4 -","- C22 H24 Fe2 Ni O2 P2 S4 -","- C88 H96 Fe8 Ni4 O8 P8 S16 -","4","0.5","","Gray, Ian P.; Milton, Heather L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and structure of [Fc(RO)PS2]? complexes","Dalton Transactions","2003","","17","3450","","10.1039/b306387a","","","0.71073","MoKα","","0.0525","0.0349","","","0.0623","0.0659","","","","","","0.971","","","","has coordinates","179837","2020-10-21","18:00:00",""
"7013389","24.053","0.0011","15.032","0.0006","48.983","0.003","90","","99.378","0.006","90","","17473.8","1.5","200","","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C83 H90 F9 Gd N6 O17 S3 -","- C83 H90 F9 Gd N6 O17 S3 -","- C664 H720 F72 Gd8 N48 O136 S24 -","8","1","","Thierry Le Borgne; Jean-Marc Bénech; Sébastien Floquet; Gérald Bernardinelli; Christian Aliprandini; Philippe Bettens; Claude Piguet","Monometallic lanthanide complexes with tridentate 2,6-dicarboxamidopyridine ligands. Influence of peripheral substitutions on steric congestion and antenna effect","Dalton Trans.","2003","","20","3856","3868","10.1039/b307413g","","","0.71073","MoKα","","","0.037","","","","0.037","","","","","","1.12","","","","has coordinates","179837","2020-10-21","18:00:00",""
"7013420","15.5544","0.0009","9.6173","0.0005","17.124","0.0009","90","","90","0.004","90","","2561.6","0.2","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Complex 7 [Pd{Pd(L)Cl2}Cl2]","","- C12 H30 Cl6 N6 Pd3 -","- C12 H30 Cl6 N6 Pd3 -","- C48 H120 Cl24 N24 Pd12 -","4","0.5","","Seeber, Georg; Long, De-Liang; Kariuki, Benson M.; Cronin, Leroy","Palladium(ii)-based cis,trans-1,3,5-triaminocyclohexane complexes demonstrating a variety of coordination modes and architecturesElectronic supplementary information (ESI) available: A detailed description of the coordinative flexibility of trans-tach. Fig. S1: Diagram defining interplanar angle ? and torsion angle ?. Table S1: interplanar angles ? and torsion angles ? for complexes 1?7. See http://www.rsc.org/suppdata/dt/b3/b307616d/","Dalton Transactions","2003","","23","4498","","10.1039/b307616d","","","1.54178","CuKα","","0.1031","0.0863","","","0.2145","0.2351","","","","","","1.036","","","","has coordinates","179838","2020-10-21","18:00:00",""
"7013698","10.315","0.005","10.438","0.004","10.646","0.005","90","","108.68","0.011","90","","1085.9","0.8","293","0.2","293","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Ga H2 K O6 Te -","- Ga K0.967 O6 Te -","- Ga8 K7.736 O48 Te8 -","8","1","","Yu, Ranbo; Min Ok, Kang; Shiv Halasyamani, P.","Synthesis and characterization of two novel mixed metal tellurates: KGaTeO5 x H2O and K3GaTe2O8(OH)2 x H2O.","Dalton transactions (Cambridge, England : 2003)","2004","","3","392","396","10.1039/b312519j","","","0.71073","MoKα","","0.0864","0.0593","","","0.1424","0.1522","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013784","14.605","0.002","12.503","0.002","19.601","0.003","90","","97.147","0.004","90","","3551.5","0.9","160","2","160","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Ruthenium(iii) tris(2,2'-bipyridine-5,5'-dicarboxylic acid) 2.6-hydrate","","","- C36 H27 N6 O14.5 Ru -","- C36 H26 N6 O14.5 Ru -","- C144 H104 N24 O58 Ru4 -","4","0.5","","Matthews, Craig J.; Elsegood, Mark R. J.; Bernardinelli, Gérald; Clegg, William; Williams, Alan F.","Crystal structures of dicarboxy-2,2'-bipyridyl complexes: the role of hydrogen bonding and stacking interactions.","Dalton transactions (Cambridge, England : 2003)","2004","","3","492","497","10.1039/b314539e","","","0.71073","MoKα","","0.1005","0.0582","","","0.0889","0.1006","","","","","","0.936","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013934","16.362","0.001","14.3991","0.0009","14.4267","0.0009","90","","91.266","0.001","90","","3398.1","0.4","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C152 H136 N40 O16 -","8","1","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.0401","0.0318","","","0.084","0.0889","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014089","25.14","0.001","10.7111","0.0004","24.272","0.001","90","","93.0975","0.0007","90","","6526.3","0.4","193","2","193","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H36 Fe2 N4 O4 S4 -","- C32 H36 Fe2 N4 O4 S4 -","- C256 H288 Fe16 N32 O32 S32 -","8","1","","Chowdhury, Somenath; Schatte, Gabriele; Kraatz, Heinz-Bernhard","Synthesis, structure and electrochemistry of ferrocene-peptide macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","11","1726","1730","10.1039/b401039f","","","0.71073","MoKα","","0.04","0.0349","","","0.087","0.091","","","","","","1.044","","","","has coordinates,has disorder","179844","2020-10-21","18:00:00",""
"7015454","13.0697","0.0004","7.0217","0.0002","20.4319","0.0008","90","","98.02","0.004","90","","1856.73","0.11","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H24 Fe I2 N2 -","- C14 H24 Fe I2 N2 -","- C56 H96 Fe4 I8 N8 -","4","0.5","","Child, Chloe R.; Kealey, Steven; Jones, Harriet; Miller, Philip W.; White, Andrew J. P.; Gee, Anthony D.; Long, Nicholas J.","Binding and photodissociation of CO in iron(ii) complexes for application in positron emission tomography (PET) radiolabelling.","Dalton transactions (Cambridge, England : 2003)","2011","40","23","6210","6215","10.1039/c0dt01614d","","","1.54184","CuKα","","0.0672","0.0623","","","0.1536","0.1584","","","","","","1.094","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015565","15.7316","0.0015","11.017","0.0011","21.238","0.003","90","","93.824","0.001","90","","3672.7","0.7","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C54 H40 Co2 -","- C54 H40 Co2 -","- C216 H160 Co8 -","4","0.5","","Singh, Nem; Elias, Anil J.","Palladacycles of novel bisoxazoline chelating ligands based on the dimeric cyclobutadiene linked cobalt sandwich compound [(η5-Cp)Co(η4-C4Ph3)]2.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4882","4891","10.1039/c0dt01737j","","","0.71073","MoKα","","0.0588","0.054","","","0.1286","0.1317","","","","","","1.215","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016264","27.3497","0.0005","12.7238","0.0002","21.1149","0.0004","90","","95.083","0.002","90","","7318.9","0.2","140","1","140","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","HB(C3H3N2)3Ti(C2H6N)2NH2B(C6F5)3","","","- C31 H24 B2 F15 N9 Ti -","- C31 H24 B2 F15 N9 Ti -","- C248 H192 B16 F120 N72 Ti8 -","8","1","","Fuller, Anna-Marie; Hughes, David L.; Lancaster, Simon J.","Tris(pyrazolyl)borate amidoborane complexes of the group 4 metals.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7434","7441","10.1039/c1dt10709g","","","0.71073","Mo-Kα","","0.0682","0.0329","","","0.0715","0.0826","","","","","","0.937","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016584","18.111","0.0009","11.945","0.0004","24.9682","0.0011","90","","98.449","0.003","90","","5342.9","0.4","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H24 Cl O0.5 P2 S2 Sb -","- C27 H24 Cl O0.5 P2 S2 Sb -","- C216 H192 Cl8 O4 P16 S16 Sb8 -","8","1","","Thirumoorthi, Ramalingam; Chivers, Tristram; Vargas-Baca, Ignacio","S,C,S-Pnictogen bonding in pincer complexes of the methanediide [C(Ph(2)PS)(2)](2-).","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8086","8088","10.1039/c1dt11144b","","","0.71073","MoKα","","0.0687","0.0515","","","0.1434","0.1765","","","","","","1.22","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7016585","17.978","0.004","11.922","0.002","24.932","0.01","90","","98.83","0.03","90","","5280","3","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C51 H42 Bi2 Cl4 P4 S4 -","- C51 H42 Bi2 Cl4 P4 S4 -","- C204 H168 Bi8 Cl16 P16 S16 -","4","0.5","","Thirumoorthi, Ramalingam; Chivers, Tristram; Vargas-Baca, Ignacio","S,C,S-Pnictogen bonding in pincer complexes of the methanediide [C(Ph(2)PS)(2)](2-).","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8086","8088","10.1039/c1dt11144b","","","0.71073","MoKα","","0.0661","0.049","","","0.094","0.1037","","","","","","1.084","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7020645","27.848","0.014","4.9481","0.0019","30.373","0.012","90","","109.97","0.04","90","","3934","3","125","","125","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C38 H26 Ag2 Br2 F6 O6 S2 Te2 -","- C38 H26 Ag2 Br2 F6 O6 S2 Te2 -","- C152 H104 Ag8 Br8 F24 O24 S8 Te8 -","4","0.5","","Knight, Fergus R.; Randall, Rebecca A. M.; Wakefield, Lucy; Slawin, Alexandra M. Z.; Woollins, J. Derek","Silver(I) coordination complexes and extended networks assembled from S, Se, Te substituted acenaphthenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","143","154","10.1039/c2dt31390a","","","0.71075","MoKα","","","0.0703","","","","0.22","","","","","","1.229","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7023397","22.976","0.004","6.4866","0.001","26.186","0.005","90","","94.263","0.003","90","","3891.9","1.2","233","2","233","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H26 Cl Fe Ir N2 -","- C21 H26 Cl Fe Ir N2 -","- C168 H208 Cl8 Fe8 Ir8 N16 -","8","1","","Varnado, Jr, C Daniel; Rosen, Evelyn L.; Collins, Mary S.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of olefin metathesis catalysts supported by redox-switchable diaminocarbene[3]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13251","13264","10.1039/c3dt51278a","","","0.71069","MoKα","","0.0213","0.0182","","","0.0431","0.0443","","","","","","1.092","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7024267","18.843","0.008","11.738","0.006","20.626","0.008","90","","114.16","0.07","90","","4162","4","160","2","160","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H25 Mn N2 O4 -","- C22 H25 Mn N2 O4 -","- C176 H200 Mn8 N16 O32 -","8","1","","Martínez, David; Motevalli, Majid; Watkinson, Michael","Is there really a diagnostically useful relationship between the carbon-oxygen stretching frequencies in metal carboxylate complexes and their coordination mode?","Dalton transactions (Cambridge, England : 2003)","2010","39","2","446","455","10.1039/b913865j","","","0.71073","MoKα","","0.0688","0.0397","","","0.0912","0.1007","","","","","","1.021","","","","has coordinates","179947","2020-10-21","18:00:00",""
"7024480","22.7275","0.0013","12.9852","0.0007","22.7275","0.0013","90","","97.0973","0.0011","90","","6656","0.6","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C59 H106 Mo2 O6 Zn6 -","- C59 H106 Mo2 O6 Zn6 -","- C236 H424 Mo8 O24 Zn24 -","4","0.5","","Ma, Jian-Gong; Aksu, Yilmaz; Gregoriades, Laurence J.; Sauer, Joachim; Driess, Matthias","Activation of C-H bonds mediated by Mo[triple bond]Mo moieties in heterobimetallic Zn/O/Mo clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","103","106","10.1039/b917585g","","","0.71073","MoKα","","0.0557","0.0373","","","0.0999","0.1062","","","","","","1.095","","","","has coordinates,has disorder","179949","2020-10-21","18:00:00",""
"7025113","16.191","0.002","7.3503","0.0008","21.399","0.003","90","","98.349","0.007","90","","2519.7","0.5","113","2","113","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H16 Fe N14 -","- C26 H16 Fe N14 -","- C104 H64 Fe4 N56 -","4","0.5","","Klingele, Julia; Kaase, Dominic; Hilgert, Jakob; Steinfeld, Gunther; Klingele, Marco H.; Lach, Jochen","Triazolopyridines as ligands: structural diversity in iron(II), cobalt(II), nickel(II) and copper(II) complexes of 3-(2-pyridyl)-[1,2,4]triazolo[4,3-a]- pyridine (L¹⁰) and spin crossover in [Fe(II)(L¹⁰)₂(NCS)₂].","Dalton transactions (Cambridge, England : 2003)","2010","39","19","4495","4507","10.1039/b925107c","","","0.71073","MoKα","","0.0642","0.0411","","","0.079","0.0869","","","","","","1.052","","","","has coordinates","179956","2020-10-21","18:00:00",""
"7025479","23.409","0.006","13.216","0.004","23.711","0.007","90","","106.6","0.04","90","","7030","4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Tetrakis(tris(trimethylsilyl)germyl)distannene","Tetrakis[tris(trimethylsilyl)germyl]distannene","","- C18 H54 Ge2 Si6 Sn -","- C18 H54 Ge2 Si6 Sn -","- C144 H432 Ge16 Si48 Sn8 -","8","1","","Kurzbach, Dennis; Yao, Shenglai; Hinderberger, Dariush; Klinkhammer, Karl W.","EPR spectroscopic characterization of persistent germyl-substituted Pb(III)- and Sn(III)-radicals.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6449","6459","10.1039/c001144d","","","0.71073","MoKα","","0.0669","0.036","","","0.0735","0.0817","","","","","","0.861","","","","has coordinates,has disorder","179960","2020-10-21","18:00:00",""
"7026220","20.969","0.007","14.209","0.004","23.049","0.011","90","","112.49","0.007","90","","6345","4","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C68 H84 Au2 N4 O -","- C68 H76 Au2 N4 O -","- C272 H304 Au8 N16 O4 -","4","0.5","","Fortman, George C.; Poater, Albert; Levell, Jack W.; Gaillard, Sylvain; Slawin, Alexandra M. Z.; Samuel, Ifor D. W.; Cavallo, Luigi; Nolan, Steven P.","A versatile gold synthon for acetylene C-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2010","39","43","10382","10390","10.1039/c0dt00276c","","","0.71073","MoKα","","0.045","0.0386","","","0.0943","0.1006","","","","","","1.121","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026889","24.5861","0.0011","12.0656","0.0004","27.124","0.001","90","","106.337","0.001","90","","7721.4","0.5","223","2","223","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H64 N8 O Zn3 -","- C32 H64 N8 O Zn3 -","- C256 H512 N64 O8 Zn24 -","8","1","","Javed, Saba; Hoffman, David M.","Synthesis of zinc trisubstituted hydrazido complexes and ortho-metalation of 4-(dimethylamino)pyridine.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11439","11444","10.1039/c0dt00847h","","","0.71073","MoKα","","0.0309","0.0244","","","0.0657","0.0687","","","","","","0.966","","","","has coordinates,has disorder","179974","2020-10-21","18:00:00",""
"7027247","13.645","0.005","18.382","0.004","17.243","0.008","90","","102.73","0.02","90","","4219","3","203","2","203","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C46 H64 Cr N2 O2 -","- C46 H64 Cr N2 O2 -","- C184 H256 Cr4 N8 O8 -","4","0.5","","Gibson, Vernon C.; Newton, Claire; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Chromium ethylene polymerisation catalysts bearing reduced Schiff-base N,O-chelate ligands","Journal of the Chemical Society, Dalton Transactions","1999","","6","827","","10.1039/a900118b","","","0.71073","MoKα","","0.1238","0.0603","","0.158","0.1253","","","","1.041","1.097","1.097","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027524","22.627","0.005","23.575","0.006","22.97","0.006","90","","100.917","0.011","90","","12031","5","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H56 Ag B F4 Fe2 P4 -","- C68 H56 Ag B F4.01 Fe2 P4 -","- C544 H448 Ag8 B8 F32.08 Fe16 P32 -","8","1","","Long, Nicholas J.; Martin, Jeff; Opromolla, Giuliana; White, Andrew J. P.; Williams, David J.; Zanello, Piero","Synthesis and characterisation of 1-(diphenylphosphino)-1′-(methylsulfanyl)ferrocene and a series of metal (CuI, AgI)‒ferrocenylene complexes","Journal of the Chemical Society, Dalton Transactions","1999","","12","1981","","10.1039/a903539g","","","1.54178","CuKα","","0.1494","0.0852","","0.6861","0.197","","","","1.03","1.104","1.104","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7027644","7.912","0.003","9.803","0.003","38.335","0.014","90","","92.622","0.008","90","","2970.2","1.8","160","2","160","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Cl Fe N5 -","- C16 H14 Cl Fe N5 -","- C128 H112 Cl8 Fe8 N40 -","8","1","","Houlton, Andrew; Isaac, Christian J.; Gibson, Ashleigh E.; Horrocks, Benjamin R.; Clegg, William; Elsegood, Mark R. J.","Synthesis, structure and redox properties of ferrocenylmethylnucleobases","Journal of the Chemical Society, Dalton Transactions","1999","","18","3229","","10.1039/a905168f","","","0.71073","MoKα","","0.1502","0.0769","","","0.151","0.1806","","","","","","1.012","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027871","15.3953","0.0012","11.1701","0.0008","20.056","0.002","90","","90.974","0.002","90","","3448.5","0.5","160","2","160","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H42 K2 N4 O6 -","- C34 H42 K2 N4 O6 -","- C136 H168 K8 N16 O24 -","4","0.5","","Liddle, Stephen T.; Clegg, William; Morrison, Carole A.","Heavier alkali metal complexes of 2-phenylamidopyridine: An X-ray crystallographic and theoretical study of a structurally diverse series of crown ether adducts","Dalton Transactions","2004","","16","2514","2525","10.1039/b406741j","","","0.71073","MoKα","","0.0999","0.0534","","","0.116","0.1243","","","","","","0.864","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7028034","14.716","0.002","8.9259","0.0013","16.86","0.003","90","","102.929","0.004","90","","2158.5","0.6","160","2","160","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H12 N2 O3 S -","- C10 H12 N2 O3 S -","- C80 H96 N16 O24 S8 -","8","1","","Matthews, Craig J.; Heath, Sarah L.; Elsegood, Mark R. J.; Clegg, William; Leese, Troy A.; Lockhart, Joyce C.","Differential binding of a facultative tridentate ligand 4-(benzimidazol-2-yl)-3-thiabutanoic acid to CuII and NiII","Journal of the Chemical Society, Dalton Transactions","1998","","12","1973","","10.1039/a800543e","","","0.71073","MoKα","","0.0388","0.0371","","","0.0933","0.0944","","","","","","1.09","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028064","15.298","0.002","11.928","0.002","33.903","0.005","90","","100.232","0.012","90","","6088","1.6","293","2","293","2","","","","","","","see text","6","I 1 2/a 1","-I 2ya","15","","","","- C29 H34 N4 O4 P Rh -","- C29 H34 N4 O4 P Rh -","- C232 H272 N32 O32 P8 Rh8 -","8","1","","Steinborn, Dirk; Rausch, Mario; Bruhn, Clemens; Schmidt, Harry; Ströhl, Dieter","Syntheses and structures of novel cyclic and dinuclear organorhodoximes: a homologous series of di- to penta-methylene-bridged complexes ‡","Journal of the Chemical Society, Dalton Transactions","1998","","2","221","","10.1039/a706184f","","","0.71073","MoKα","","0.0956","0.0649","","0.2269","0.2063","","","","1.116","1.206","1.206","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028158","18.767","0.004","12.903","0.004","20.117","0.007","90","","95.32","0.03","90","","4850","2","150","1","150","1","","","","","","","?","6","I 1 2/a 1","-I 2ya","15","","catena-[mu-(trans-1,2-bis(pyridin-4-yl)ethene)(2,9-dimethyl-1,10- phenanthroline)copper(I)] tetrafluoroborate","","- C26 H22 B Cu F4 N4 -","- C26 H23 B Cu F4 N4 -","- C208 H184 B8 Cu8 F32 N32 -","8","1","","Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter; Li, Wan-Sheung","Copper(I) chelated by 2,9-dimethyl-1,10-phenanthroline and bridged by 4,4′-bipyridine or trans-1,2-bis(pyridin-4-yl)ethene to give discrete dinuclear and polymeric cations","Journal of the Chemical Society, Dalton Transactions","1998","","6","909","","10.1039/a708796i","","","0.71073","MoKα","","0.109","0.0815","","0.14","0.1167","","","","1.0002","","","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7029030","13.47","0.004","18.229","0.006","15.637","0.007","90","","110.823","0.007","90","","3589","2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H32 I N4 O4 Ru2 -","- C32 H32 I N4 O4 Ru2 -","- C128 H128 I4 N16 O16 Ru8 -","4","0.5","","Delgado-Martínez, Patricia; González-Prieto, Rodrigo; Gómez-García, Carlos J; Jiménez-Aparicio, Reyes; Priego, José L; Torres, M. Rosario","Structural, magnetic and electrical properties of one-dimensional tetraamidatodiruthenium compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3227","3237","10.1039/c3dt52727a","","","0.71073","MoKα","","0.1885","0.0815","","","0.2057","0.2959","","","","","","1.084","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029145","21.7335","0.0012","14.924","0.0006","26.9039","0.0013","90","","90.324","0.004","90","","8726.2","0.7","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50 H55 Cl N4 O P Ru -","- C50 H55 Cl N4 O P Ru -","- C400 H440 Cl8 N32 O8 P8 Ru8 -","8","1","","Dahcheh, Fatme; Stephan, Douglas W.","Reactions of ruthenium hydrides with ethyl-vinyl sulfide.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3501","3507","10.1039/c3dt53326c","","","0.71073","MoKα","","0.0587","0.0363","","","0.0803","0.0906","","","","","","1.015","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029417","23.041","0.003","10.8791","0.0015","26.008","0.005","90","","104.362","0.009","90","","6315.6","1.7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H33 Cl2 Ir N2 O6 -","- C32 H33 Cl2 Ir N2 O6 -","- C256 H264 Cl16 Ir8 N16 O48 -","8","1","","Frey, Julien; Curchod, Basile F. E.; Scopelliti, Rosario; Tavernelli, Ivano; Rothlisberger, Ursula; Nazeeruddin, Mohammad K.; Baranoff, Etienne","Structure-property relationships based on Hammett constants in cyclometalated iridium(iii) complexes: their application to the design of a fluorine-free FIrPic-like emitter.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5667","5679","10.1039/c3dt52739e","","","0.71073","MoKα","","0.0333","0.0238","","","0.0512","0.0568","","","","","","1.118","","","","has coordinates,has disorder","180000","2020-10-21","18:00:00",""
"7030001","22.9576","0.001","5.8417","0.0003","43.823","0.004","90","","100.2","0.005","90","","5784.3","0.7","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C35 H30 N6 O2 -","- C35 H30 N6 O2 -","- C280 H240 N48 O16 -","8","1","","Kumar, Amit; Pandey, Rampal; Gupta, Rakesh Kumar; Mishra, Veenu; Mobin, Shaikh M.; Pandey, Daya Shankar","Swift photoswitching in a binuclear Zn(ii) metallacycle relative to a salen-type ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6365","6376","10.1039/c4dt00248b","","","0.71073","MoKα","","0.1162","0.0813","","","0.1763","0.1998","","","","","","1.014","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7031191","17.694","0.004","9.5613","0.0019","33.263","0.007","90","","91.29","0.03","90","","5626","2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H40 Fe N O P3 -","- C23 H40 Fe N O P3 -","- C184 H320 Fe8 N8 O8 P24 -","8","1","","Zuo, Zhenyu; Sun, Hongjian; Wang, Lin; Li, Xiaoyan","Hydrosilylation of aldehydes and ketones catalyzed by hydrido iron complexes bearing imine ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","30","11716","11722","10.1039/c4dt00944d","","","0.71073","MoKα","","0.1229","0.0831","","","0.2314","0.2612","","","","","","1.029","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031435","29.596","0.007","8.231","0.002","31.073","0.012","90","","102.186","0.002","90","","7399","4","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C47 H46 B N2 P -","- C47 H46 B N2 P -","- C376 H368 B8 N16 P8 -","8","1","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","0.6889","synchrotron","","0.0681","0.0457","","","0.105","0.1133","","","","","","1.065","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031436","17.8281","0.0006","16.4975","0.0004","28.2893","0.0012","90","","93.976","0.005","90","","8300.4","0.5","150","2","150","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C99 H93 Ag B2 F6 N4 O2 P2 -","- C99 H93 Ag B2 F6 N4 O2 P2 -","- C396 H372 Ag4 B8 F24 N16 O8 P8 -","4","0.5","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","1.54178","CuKα","","0.0742","0.0476","","","0.1163","0.1272","","","","","","0.958","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031495","15.164","0.003","11.158","0.0017","35.432","0.005","90","","99.668","0.006","90","","5909.9","1.7","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H37 Cl2 N5 Pd -","- C28 H37 Cl2 N5 Pd -","- C224 H296 Cl16 N40 Pd8 -","8","1","","Glinyanaya, Nataliya V.; Saberov, Vagiz Sh; Korotkikh, Nikolai I.; Cowley, Alan H.; Butorac, Rachel R.; Evans, Daniel A.; Pekhtereva, Tatyana M.; Popov, Anatolii F.; Shvaika, Oles P.","Syntheses of sterically shielded stable carbenes of the 1,2,4-triazole series and their corresponding palladium complexes: efficient catalysts for chloroarene hydrodechlorination.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16227","16237","10.1039/c4dt01353k","","","0.71069","MoKα","","0.0376","0.0319","","","0.1016","0.1423","","","","","","1.19","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031990","20.2618","0.0013","11.2363","0.0007","22.8425","0.0016","90","","106.04","0.007","90","","4998","0.6","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H33 Al N2 O -","- C28 H33 Al N2 O -","- C224 H264 Al8 N16 O8 -","8","1","","Bakthavachalam, K.; Rajagopal, Ashwene; Dastagiri Reddy, N.","N-Benzoylbenzamidinate complexes of aluminium: highly efficient initiators for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14816","14823","10.1039/c4dt02026j","","","0.71073","MoKα","","0.0702","0.0532","","","0.1386","0.1537","","","","","","1.04","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7032856","20.878","0.004","13.816","0.003","24.98","0.004","90","","100.548","0.013","90","","7084","2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C81 H71 Cl2 N7 Pd -","- C81 H71 Cl2 N7 Pd -","- C324 H284 Cl8 N28 Pd4 -","4","0.5","","Saberov, Vagiz Sh; Evans, Daniel A.; Korotkikh, Nikolai I.; Cowley, Alan H.; Pekhtereva, Tatyana M.; Popov, Anatolii F.; Shvaika, Oles P.","Exceptionally efficient catalytic hydrodechlorination of persistent organic pollutants: application of new sterically shielded palladium carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","18117","18122","10.1039/c4dt02908a","","","0.71073","MoKα","","0.0607","0.0583","","","0.1605","0.163","","","","","","1.085","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7033003","33.44","0.09","16.05","0.04","43.09","0.01","90","","101.89","0.05","90","","22631","8","100","2","100.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C156 H196 Cd2 N16 O16 -","- C156 H196 Cd2 N16 O16 -","- C624 H784 Cd8 N64 O64 -","4","0.5","","Sreenivasu Mummidivarapu, V. V.; Hinge, Vijaya Kumar; Rao, Chebrolu Pulla","Interaction of a dinuclear fluorescent Cd(II) complex of calix[4]arene conjugate with phosphates and its applicability in cell imaging.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1130","1141","10.1039/c4dt01726a","","","0.71075","MoKα","","0.1149","0.0976","","","0.2982","0.3148","","","","","","1.049","","","","has coordinates,has disorder","180036","2020-10-21","18:00:00",""
"7033744","34.55","0.002","8.7957","0.0005","43.222","0.003","90","","91.801","0.004","90","","13128.3","1.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C60 H104 F6 N6 O9 -","- C60 H104 F6 N6 O9 -","- C480 H832 F48 N48 O72 -","8","1","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","","0.71075","MoKα","","0.0842","0.0533","","","0.1468","0.1612","","","","","","1.046","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033745","19.1107","0.0015","8.4202","0.0007","42.107","0.003","90","","96.582","0.005","90","","6731","0.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C62 H96 F12 N6 O6 -","- C62 H96 F12 N6 O6 -","- C248 H384 F48 N24 O24 -","4","0.5","","Olivari, Martina; Montis, Riccardo; Karagiannidis, Louise E.; Horton, Peter N.; Mapp, Lucy K.; Coles, Simon J.; Light, Mark E.; Gale, Philip A.; Caltagirone, Claudia","Anion complexation, transport and structural studies of a series of bis-methylurea compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2138","2149","10.1039/c4dt02893g","","","0.6889","","","0.3589","0.2097","","","0.4844","0.5516","","","","","","1.293","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033849","26.486","0.005","30.822","0.006","26.925","0.004","90","","109.39","0.02","90","","20734","7","173.15","","173.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C73 H142 Ca2 Mn6 O42 -","- C73 H142 Ca2 Mn6 O42 -","- C584 H1136 Ca16 Mn48 O336 -","8","1","","Chen, Changhui; Zhang, Chunxi; Dong, Hongxing; Zhao, Jingquan","Artificial synthetic Mn(IV)Ca-oxido complexes mimic the oxygen-evolving complex in photosystem II.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4431","4435","10.1039/c4dt03459g","","","0.71073","MoKα","","0.1297","0.1067","","","0.1816","0.1914","","","","","","1.262","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7034255","21.9768","0.0003","9.7423","0.001","24.826","0.004","90","","95.237","0.002","90","","5293.2","1","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H23 Br2 N3 Ni2 O6 S -","- C23 H23 Br2 N3 Ni2 O6 S -","- C184 H184 Br16 N24 Ni16 O48 S8 -","8","1","","Oyarzabal, Itziar; Ruiz, José; Mota, Antonio J.; Rodríguez-Diéguez, Antonio; Seco, José M; Colacio, Enrique","An experimental and theoretical magneto-structural study of polynuclear Ni(II) complexes assembled from a versatile bis(salicylaldehyde)diamine polytopic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6825","6838","10.1039/c5dt00356c","","","1.5418","CuKα","","0.0538","0.0467","","","0.103","0.1071","","","","","","1.031","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034525","20.784","0.002","8.1816","0.0008","18.346","0.002","90","","101.392","0.012","90","","3058.2","0.6","150.06","0.15","150.06","0.15","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H36 B2 Cl4 N4 O4 -","- C28 H36 B2 Cl4 N4 O4 -","- C112 H144 B8 Cl16 N16 O16 -","4","0.5","","Cade, I. A.; Chau, W. Y.; Vitorica-Yrezabal, I; Ingleson, M. J.","1,1/1,2 Isomerisation in Lewis base adducts of B2cat2.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7506","7511","10.1039/c5dt00645g","","x-ray","0.71073","MoKα","","0.1518","0.0856","","","0.1804","0.1993","","","","","","1.096","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034708","15.7411","0.0001","20.1289","0.0001","51.7316","0.0005","90","","93.282","0.001","90","","16364.3","0.2","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C68 H104 Cl4 Cu8 N8 O18 -","- C68 H104 Cl4 Cu8 N8 O18 -","- C544 H832 Cl32 Cu64 N64 O144 -","8","1","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","x-ray","1.54184","CuKα","","0.0643","0.0588","","","0.1547","0.158","","","","","","1.134","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7034709","15.82","0.0004","20.0425","0.0004","51.3059","0.0014","90","","93.223","0.002","90","","16242","0.7","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C132 H198 Br8 Cu16 N16 O35 -","- C132 H198 Br8 Cu16 N16 O35 -","- C528 H792 Br32 Cu64 N64 O140 -","4","0.5","","Frost, Jamie M.; Stirling, Robert J.; Sanz, Sergio; Vyas, Nidhi; Nichol, Gary S.; Rajaraman, Gopalan; Brechin, Euan K.","Turning a ""useless"" ligand into a ""useful"" ligand: a magneto-structural study of an unusual family of Cu(II) wheels derived from functionalised phenolic oximes.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10177","10187","10.1039/c5dt00884k","","x-ray","1.54184","CuKα","","0.1013","0.0769","","","0.2035","0.2205","","","","","","1.066","","","","has coordinates,has disorder","180053","2020-10-21","18:00:00",""
"7035111","18.658","0.004","13.47","0.003","18.736","0.004","90","","92.11","0.03","90","","4705.6","1.8","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C51 H43 Cu4 N10 O8 -","- C51 H43 Cu4 N10 O8 -","- C204 H172 Cu16 N40 O32 -","4","0.5","","Bryant, Macguire R.; Burrows, Andrew D.; Fitchett, Christopher M.; Hawes, Chris S.; Hunter, Sally O.; Keenan, Luke L.; Kelly, David J.; Kruger, Paul E.; Mahon, Mary F.; Richardson, Christopher","The synthesis and characterisation of coordination and hydrogen-bonded networks based on 4-(3,5-dimethyl-1H-pyrazol-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9269","9280","10.1039/c5dt00011d","","x-ray","0.7108","Synchrotron","","0.3323","0.2556","","","0.5936","0.6441","","","","","","2.52","","","","has coordinates,has disorder","138733","2020-10-21","18:00:00",""
"7035171","19.541","0.008","23.25","0.009","25.627","0.009","90","","106.08","0.02","90","","11188","8","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C98 H62 N8 O20 Re4 -","- C98 H62 N8 O20 Re4 -","- C392 H248 N32 O80 Re16 -","4","0.5","","Elumalai, Palani; Kanagaraj, Rajendiran; Marimuthu, Rajendiran; Shankar, Bhaskaran; Kalita, Alok Ch; Sathiyendiran, Malaichamy","Rhenium(i)-based bridgeless double metallocalix[4]arenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11274","11277","10.1039/c5dt00841g","","","0.71075","MoKα","","0.053","0.0465","","","0.0933","0.0966","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035282","17.5519","0.0005","28.344","0.0007","21.9816","0.0009","90","","103.863","0.002","90","","10617.1","0.6","123","","123","","","","","","","","see text","8","I 1 2/a 1","-I 2ya","15","","","","- C104 H104 Ag2 Br2 N8 O4 P4 Ru2 -","- C104 H104 Ag2 Br2 N8 O4 P4 Ru2 -","- C416 H416 Ag8 Br8 N32 O16 P16 Ru8 -","4","0.5","","Bitzer, Mario J.; Pöthig, Alexander; Jandl, Christian; Kühn, Fritz E; Baratta, Walter","Ru-Ag and Ru-Au dicarbene complexes from an abnormal carbene ruthenium system.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11686","11689","10.1039/c5dt01914a","","x-ray","0.71073","MoKα","","0.0595","0.0554","","","0.1752","0.1808","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035288","18.3252","0.0003","11.6963","0.0002","26.74","0.0004","90","","97.067","0.001","90","","5687.83","0.16","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H32 Cl2 N2 O2 Zn -","- C32 H32 Cl2 N2 O2 Zn -","- C256 H256 Cl16 N16 O16 Zn8 -","8","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","1.54184","CuKα","","0.0365","0.0335","","","0.089","0.0919","","","","","","1.057","","","","has coordinates","143472","2020-10-21","18:00:00",""
"7035295","17.442","0.007","11.79","0.005","31.054","0.015","90","","104.238","0.007","90","","6190","5","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C72.74 H49.48 Cl5.48 N4 O4 Zn2 -","- C72.742 H49.484 Cl5.484 N4 O4 Zn2 -","- C290.968 H197.936 Cl21.936 N16 O16 Zn8 -","4","0.5","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Photophysical tuning of the aggregation-induced emission of a series of para-substituted aryl bis(imino)acenaphthene zinc complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","26","11984","11996","10.1039/c5dt01529d","","","0.71073","MoKα","","0.0808","0.073","","","0.1896","0.1962","","","","","","1.202","","","","has coordinates,has disorder","143472","2020-10-21","18:00:00",""
"7035409","17.1087","0.001","14.5365","0.0006","19.9638","0.0011","90","","106.705","0.006","90","","4755.5","0.5","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H36 Cl2 N12 O8 Os2 -","- C46 H36 Cl2 N12 O8 Os2 -","- C184 H144 Cl8 N48 O32 Os8 -","4","0.5","","Das, Ankita; Mobin, Shaikh M.; Lahiri, Goutam Kumar","Recognition of fractional non-innocent feature of osmium coordinated 2,2'-biimidazole or 2,2'-bis(4,5-dimethylimidazole) and their interactions with anions.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13204","13219","10.1039/c5dt01763g","","","1.54184","CuKα","","0.0751","0.0474","","","0.1092","0.1299","","","","","","1.031","","","","has coordinates","153189","2020-10-21","18:00:00",""
"7035423","24.16","0.005","15.24","0.003","24.342","0.006","90","","107.484","0.017","90","","8549","3","95","2","95","2","","","","","","","synthetical product","5","I 1 2/a 1","-I 2ya","15","Tetralithium-tetrahydrogen-bis{1,3-bis(2,2'',4,4'',6,6''-hexa-methyl[1,1':3',1''-terphenyl]-2'-yl)-1,1,3,3-disiloxanetetrolate}","Tetralithium-tetrahydrogen-bis{1,3-bis(2,2'',4,4'',6,6''-hexa-methyl[1,1':3',1''-terphenyl]-2'-yl)-1,1,3,3-disiloxanetetrolate}","","- C96 H104 Li4 O10 Si4 -","- C96 H104 Li4 O10 Si4 -","- C384 H416 Li16 O40 Si16 -","4","0.5","","Čas, Daniel; Hurkes, Natascha; Spirk, Stefan; Belaj, Ferdinand; Bruhn, Clemens; Rechberger, Gerald N.; Pietschnig, Rudolf","Dimer formation upon deprotonation: synthesis and structure of a m-terphenyl substituted (R,S)-dilithium disiloxanolate disilanol.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12818","12823","10.1039/c5dt01992c","","","0.71069","MoKα","","0.1027","0.0545","","","0.1054","0.1251","","","","","","1.013","","","","has coordinates","143705","2020-10-21","18:00:00",""
"7035504","7.3214","0.0006","14.182","0.0013","15.5197","0.001","90","","95.774","0.007","90","","1603.3","0.2","120","0.2","120","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H7 N O2 S2 -","- C6 H7 N O2 S2 -","- C48 H56 N8 O16 S16 -","8","1","","Hapka, Michał; Dranka, Maciej; Orłowska, Katarzyna; Chałasiński, Grzegorz; Szczęśniak, Małgorzata M; Zachara, Janusz","Noncovalent interactions determine the conformation of aurophilic complexes with 2-mercapto-4-methyl-5-thiazoleacetic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13641","13650","10.1039/c5dt01627d","","x-ray","0.71073","MoKα","","0.05","0.0387","","","0.0944","0.1017","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035534","14.0214","0.0017","12.8277","0.001","13.4718","0.0017","90","","114.259","0.014","90","","2209.1","0.5","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","trans-difluoridotetrakis(pyridine)vanadium(III) tetrafluoroborate","","- C20 H20 B F6 N4 V -","- C20 H20 B F6 N4 V -","- C80 H80 B4 F24 N16 V4 -","4","0.5","","Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.","Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13272","13281","10.1039/c5dt01748c","","x-ray","0.71073","MoKα","","0.0822","0.0492","","","0.1096","0.1295","","","","","","1.041","","","","has coordinates,has disorder","153201","2020-10-21","18:00:00",""
"7035539","15.1861","0.001","8.4089","0.0004","15.7527","0.0009","90","","110.717","0.007","90","","1881.5","0.2","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","trans-difluoridotetrakis(pyridine)nickel(II)","","- C20 H20 F2 N4 Ni -","- C20 H20 F2 N4 Ni -","- C80 H80 F8 N16 Ni4 -","4","0.5","","Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.","Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13272","13281","10.1039/c5dt01748c","","x-ray","0.71073","MoKα","","0.0277","0.0247","","","0.0642","0.0654","","","","","","1.056","","","","has coordinates","153201","2020-10-21","18:00:00",""
"7035906","14.36","0.005","7.631","0.003","27.696","0.009","90","","96.863","0.006","90","","3013.2","1.9","208","2","208","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H16 Cl F4 Ir O -","- C13 H16 Cl F4 Ir O -","- C104 H128 Cl8 F32 Ir8 O8 -","8","1","","Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19528","19542","10.1039/c5dt02275d","","","0.71073","MoKα","","0.0351","0.0307","","","0.0747","0.0769","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036271","13.0203","0.0003","10.333","0.0002","15.098","0.002","90","","90.005","0.009","90","","2031.3","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H16 B2 F4 N4 -","- C24 H16 B2 F4 N4 -","- C96 H64 B8 F16 N16 -","4","0.5","","Kesavan, Praseetha E.; Das, Sudipta; Lone, Mohsin Y.; Jha, Prakash C.; Mori, Shigeki; Gupta, Iti","Bridged bis-BODIPYs: their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17209","17221","10.1039/c5dt01925g","","","1.54187","CuKα","","0.0429","0.0399","","","0.1025","0.1052","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036304","28.1303","0.0008","15.5125","0.0003","40.2602","0.0013","90","","110.063","0.003","90","","16502.3","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C84 H88 Cu4 N8 O8 -","- C84 H88 Cu4 N8 O8 -","- C672 H704 Cu32 N64 O64 -","8","1","","Kumar, Amit; Pandey, Rampal; Kumar, Ashish; Gupta, Rakesh Kumar; Dubey, Mrigendra; Mohammed, Akbar; Mobin, Shaikh M.; Pandey, Daya Shankar","Self-assembled copper(ii) metallacycles derived from asymmetric Schiff base ligands: efficient hosts for ADP/ATP in phosphate buffer.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17152","17165","10.1039/c5dt01433f","","","1.54184","CuKα","","0.1071","0.0916","","","0.2731","0.2955","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036438","22.085","0.004","13.0664","0.0019","23.157","0.006","90","","96.49","0.018","90","","6640","2","150.02","0.1","150.02","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H46 Al3 B5 Cl22 N8 -","- C37 H46 Al3 B5 Cl22 N8 -","- C148 H184 Al12 B20 Cl88 N32 -","4","0.5","","Lawson, James R.; Fasano, Valerio; Cid, Jessica; Vitorica-Yrezabal, Inigo; Ingleson, Michael J.","The carboboration of Me3Si-substituted alkynes and allenes with boranes and borocations.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6060","6070","10.1039/c5dt03003j","","","0.71073","MoKα","","0.1521","0.0922","","","0.2207","0.2559","","","","","","1.071","","","","has coordinates,has disorder","181717","2020-10-21","18:00:00",""
"7036574","15.528","0.0002","13.7243","0.0001","17.6847","0.0002","90","","100.521","0.001","90","","3705.44","0.07","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H18 Cl N2 O0.5 Pt -","- C23 H18 Cl N2 O0.5 Pt -","- C184 H144 Cl8 N16 O4 Pt8 -","8","1","","Stoccoro, Sergio; Maidich, Luca; Ruiu, Tiziana; Cinellu, Maria Agostina; Clarkson, Guy James; Zucca, Antonio","Chiral cyclometalation of 6-(1-phenylbenzyl)-2,2'-bipyridine.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18001","18011","10.1039/c5dt02483h","","x-ray","0.71073","MoKα","","0.041","0.0262","","","0.0631","0.078","","","","","","1.039","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036640","16.0414","0.0009","9.4516","0.0003","22.7388","0.0016","90","","102.12","0.007","90","","3370.7","0.3","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H30 As2 Cl3 N Ru S -","- C36 H30 As2 Cl3 N Ru S -","- C144 H120 As8 Cl12 N4 Ru4 S4 -","4","0.5","","Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18459","18468","10.1039/c5dt02513c","","","1.54178","CuKα","","0.0356","0.0321","","","0.0907","0.0925","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7037007","13.20393","0.00012","22.343","0.0002","18.0609","0.00016","90","","90.1528","0.0008","90","","5328.22","0.08","123","0.14","123","0.14","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H16 Al2 Br6 N4 -","- C20 H16 Al2 Br6 N4 -","- C160 H128 Al16 Br48 N32 -","8","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Maulieva, Albina F.; Davydova, Elena I.; Virovets, Alexander V.; Peresypkina, Eugenia V.; Balázs, Gábor; Graßl, Christian; Seidl, Michael; Scheer, Manfred; Frenking, Gernot; Berezovskaya, Ekaterina A.; Kazakov, Igor V.; Khoroshilova, Olesya V.; Timoshkin, Alexey Y.","Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20648","20658","10.1039/c5dt03192c","","x-ray","1.54184","CuKα","","0.0266","0.026","","","0.0649","0.0653","","","","","","1.16","","","","has coordinates","171240","2020-10-21","18:00:00",""
"7037386","14.9187","0.0003","15.1684","0.0004","23.0231","0.0005","90","","90.537","0.002","90","","5209.7","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C51 H46 Cl2 Cu2 N4 O15 -","- C51 H45 Cl2 Cu2 N4 O15 -","- C204 H180 Cl8 Cu8 N16 O60 -","4","0.5","","Kitos, Alexandros A.; Efthymiou, Constantinos G.; Manos, Manolis J.; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Escuer, Albert; Perlepes, Spyros P.","Interesting copper(ii)-assisted transformations of 2-acetylpyridine and 2-benzoylpyridine.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1063","1077","10.1039/c5dt03912f","","","0.71073","MoKα","","0.0778","0.0677","","","0.1936","0.2059","","","","","","1.051","","","","has coordinates","176043","2020-10-21","18:00:00",""
"7037661","15.3434","0.0004","14.7669","0.0003","19.2363","0.0004","90","","94.7265","0.0019","90","","4343.63","0.17","150","2","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H21.8 N3.8 O8 Zn2 -","- C22 H14 N3.8 O8 Zn2 -","- C88 H56 N15.2 O32 Zn8 -","4","0.5","","Cadman, Laura K.; Bristow, Jessica K.; Stubbs, Naomi E.; Tiana, Davide; Mahon, Mary F.; Walsh, Aron; Burrows, Andrew D.","Compositional control of pore geometry in multivariate metal-organic frameworks: an experimental and computational study.","Dalton transactions (Cambridge, England : 2003)","2016","45","10","4316","4326","10.1039/c5dt04045k","","x-ray","1.54184","CuKα","","0.0595","0.0523","","","0.1624","0.1702","","","","","","1.099","","","","has coordinates,has disorder","177798","2020-10-21","18:00:00",""
"7038117","5.1153","0.0003","11.7022","0.0005","5.1878","0.0002","90","","90.244","0.005","90","","310.54","0.03","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","'Bismuth Vanadium Moybdenum oxide'","","- Bi0.97 Mo0.07 O4 V0.93 -","- Bi0.97662 Mo0.07022 O4 V0.92976 -","- Bi3.90648 Mo0.28088 O16 V3.71904 -","4","0.5","","Terebilenko, Kateryna V.; Bychkov, Konstantin L.; Baumer, Vyacheslav N.; Slobodyanik, Nikolay S.; Pavliuk, Mariia V.; Thapper, Anders; Tokmenko, Inna I.; Nasieka, Iurii M.; Strelchuk, Viktor V.","Structural transformation of Bi1-x/3V1-xMoxO4 solid solutions for light-driven water oxidation.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3895","3904","10.1039/c5dt04829j","","","0.71073","MoKα","","0.0712","0.051","","","0.1212","0.1349","","","","","","0.994","","","","has coordinates","177874","2020-10-21","18:00:00",""
"7038206","17.8626","0.0006","9.9345","0.0003","30.455","0.001","90","","102.414","0.002","90","","5278.1","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C61 H42 B2 F20 N2 -","- C61 H42 B2 F20 N2 -","- C244 H168 B8 F80 N8 -","4","0.5","","Yusuf, Mayyadah; Liu, Kanglei; Guo, Fang; Lalancette, Roger A.; Jäkle, Frieder","Luminescent organoboron ladder compounds via directed electrophilic aromatic C-H borylation.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4580","4587","10.1039/c5dt05077d","","","1.54178","CuKα","","0.0624","0.0525","","","0.1372","0.1445","","","","","","1.077","","","","has coordinates","181698","2020-10-21","18:00:00",""
"7038277","23.9841","0.0006","5.8831","0.0001","41.7264","0.0013","90","","106.501","0.003","90","","5645.1","0.3","250","2","250","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H27 Cu N2 O6 S -","- C28 H27 Cu N2 O6 S -","- C224 H216 Cu8 N16 O48 S8 -","8","1","","de Campos, Nathália R; Ribeiro, Marcos A.; Oliveira, Willian X. C.; Reis, Daniella O.; Stumpf, Humberto O.; Doriguetto, Antônio C; Machado, Flávia C; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Cano, Joan; Marinho, Maria V.","Magneto-structural versatility of copper(ii)-3-phenylpropionate coordination polymers with N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","172","189","10.1039/c5dt03401a","","","1.54184","CuKα","","0.0818","0.0743","","","0.2203","0.2323","","","","","","1.053","","","","has coordinates,has disorder","175851","2020-10-21","18:00:00",""
"7038317","17.2917","0.0006","10.6763","0.0004","39.6733","0.0015","90","","91.757","0.004","90","","7320.7","0.5","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C368 H272 N48 O32 -","16","2","","Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar","Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions","Dalton Transactions","2016","45","12","5196","5209","10.1039/C5DT04738B","","x-ray","0.71073","MoKα","","0.1578","0.0776","","","0.2182","0.2932","","","","","","1.0547","","","","has coordinates","206171","2020-10-21","18:00:00",""
"7038341","25.706","0.008","14.289","0.004","35.063","0.009","90","","103.528","0.018","90","","12522","6","100","2","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C55 H44 Cl4 N14 O10 Os2 -","- C55 H44 Cl4 N14 O10 Os2 -","- C440 H352 Cl32 N112 O80 Os16 -","8","1","","Ghosh, Prabir; Lahiri, Goutam Kumar","Impact of {Os(pap)2} in fine-tuning the binding modes and non-innocent potential of deprotonated 2,2'-bipyridine-3,3'-diol.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5240","5252","10.1039/c6dt00013d","","","0.7107","MoKα","","0.0629","0.0534","","","0.1171","0.1241","","","","","","1.128","","","","has coordinates","181672","2020-10-21","18:00:00",""
"7038347","28.7669","0.0006","9.4653","0.0002","20.697","0.0005","90","","104.402","0.002","90","","5458.4","0.2","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H28 B Cu N6.5 O0.5 -","- C28.5 H28 B Cu N6.5 O0.5 -","- C228 H224 B8 Cu8 N52 O4 -","8","1","","Wen, Tian; Chen, Er-Xia; Zhang, De-Xiang; Zhang, Jian","Synthesis of borocarbonitride from a multifunctional Cu(i) boron imidazolate framework.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5223","5228","10.1039/c5dt04805b","","","1.54184","CuKα","","0.0581","0.047","","","0.1239","0.1338","","","","","","1.035","","","","has coordinates","181677","2020-10-21","18:00:00",""
"7038566","22.1422","0.0005","7.22931","0.00019","42.6101","0.0013","90","","100.291","0.003","90","","6711","0.3","134.41","0.1","134.41","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C29.5 H31 I N6 Na O11.75 -","- C29.5 H34 I N6 Na O11.75 -","- C236 H272 I8 N48 Na8 O94 -","8","1","","Mäkelä, T; Rissanen, K.","Ion pair complexes and anion binding in the solution of a ditopic receptor.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6481","6490","10.1039/c6dt00414h","","x-ray","1.54184","CuKα","","0.0423","0.0386","","","0.0972","0.1007","","","","","","1.038","","","","has coordinates,has disorder","182695","2020-10-21","18:00:00",""
"7038576","25.226","0.005","20.08","0.003","24.17","0.006","90","","120.32","0.03","90","","10568","5","110","","110","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25.5 H35 Cl Ge N2 O6 -","- C25.5 H35 Cl Ge N2 O6 -","- C408 H560 Cl16 Ge16 N32 O96 -","16","2","","Kitschke, Philipp; Walter, Marc; Rüffer, Tobias; Lang, Heinrich; Kovalenko, Maksym V.; Mehring, Michael","From molecular germanates to microporous Ge@C via twin polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5741","5751","10.1039/c6dt00049e","","","1.54184","CuKα","","0.0695","0.0427","","","0.0903","0.0985","","","","","","1.024","","","","has coordinates","181641","2020-10-21","18:00:00",""
"7038661","10.6241","0.0002","15.1983","0.0004","29.6784","0.0007","90","","90.352","0.002","90","","4792.03","0.19","183","1","183","1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H19 Cl3 F3 Fe N3 O -","- C22 H18 F3 Fe N3 O -","- C176 H144 F24 Fe8 N24 O8 -","8","1","","Rubbiani, R.; Blacque, O.; Gasser, G.","Sedaxicenes: potential new antifungal ferrocene-based agents?","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6619","6626","10.1039/c5dt04231c","","","1.54184","CuKα","","0.0444","0.037","","","0.0947","0.0992","","","","","","1.031","","","","has coordinates","182704","2020-10-21","18:00:00",""
"7039113","24.0018","0.0008","26.454","0.0008","25.9813","0.001","90","","115.749","0.005","90","","14858.6","1.1","140","2","140","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C65 H50 B2 N11.5 O9 Zn2 -","- C65 H50 B2 N11.5 O9 Zn2 -","- C520 H400 B16 N92 O72 Zn16 -","8","1","","Marmier, Mathieu; Cecot, Giacomo; Curchod, Basile F. E.; Pattison, Philip; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Surface functionalization of dinuclear clathrochelates via Pd-catalyzed cross-coupling reactions: facile synthesis of polypyridyl metalloligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8422","8427","10.1039/c6dt01288d","","","0.71073","MoKα","","0.0759","0.0492","","","0.1314","0.1508","","","","","","1.022","","","","has coordinates","185418","2020-10-21","18:00:00",""
"7039290","13.2902","0.0003","7.4513","0.00017","31.532","0.0007","90","","93.04","0.002","90","","3118.2","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H14 Cl6 N2 Pt -","- C10 H14 Cl6 N2 Pt -","- C80 H112 Cl48 N16 Pt8 -","8","1","","Karmakar, Subhendu; Chatterjee, Saptarshi; Purkait, Kallol; Mukherjee, Arindam","Anticancer activity of a chelating nitrogen mustard bearing tetrachloridoplatinum(iv) complex: better stability yet equipotent to the Pt(ii) analogue.","Dalton transactions (Cambridge, England : 2003)","2016","45","29","11710","11722","10.1039/c6dt00831c","","x-ray","0.71073","MoKα","","0.022","0.0197","","","0.0471","0.049","","","","","","1.066","","","","has coordinates","185486","2020-10-21","18:00:00",""
"7040007","12.3106","0.0003","6.57573","0.00017","8.4715","0.0003","90","","94.85","0.003","90","","683.32","0.03","113","2","113","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C2 H2 N8 O3 Pb -","- C2 H2 N8 O3 Pb -","- C8 H8 N32 O12 Pb4 -","4","0.5","","Shang, Yu; Jin, Bo; Peng, Rufang; Liu, Qiangqiang; Tan, Bisheng; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun","A novel 3D energetic MOF of high energy content: synthesis and superior explosive performance of a Pb(ii) compound with 5,5'-bistetrazole-1,1'-diolate.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13881","13887","10.1039/c6dt02558g","","","0.71073","MoKα","","0.0214","0.0211","","","0.0575","0.0578","","","","","","1.094","","","","has coordinates","186382","2020-10-21","18:00:00",""
"7040148","23.229","0.002","9.3929","0.0006","32.344","0.003","90","","108.287","0.006","90","","6700.7","1","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36 H36 Fe N6 -","- C36 H36 Fe N6 -","- C288 H288 Fe8 N48 -","8","1","","Liang, Qiuming; Janes, Trevor; Gjergji, Xhoana; Song, Datong","Iron complexes of a bidentate picolyl-NHC ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13872","13880","10.1039/c6dt02792j","","","0.71073","MoKα","","0.0702","0.049","","","0.1232","0.1329","","","","","","1.069","","","","has coordinates","186385","2020-10-21","18:00:00",""
"7040690","11.8361","0.0013","19.8984","0.0018","22.685","0.003","90","","103.078","0.006","90","","5204.2","1","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C58 H60 F6 Ir N4 P -","- C58 H60 F6 Ir N4 P -","- C232 H240 F24 Ir4 N16 P4 -","4","0.5","","Rota Martir, Diego; Hedley, Gordon J.; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Kosikova, Tamara; Philp, Douglas; Dawson, Daniel M.; Ashbrook, Sharon E.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Exploring the self-assembly and energy transfer of dynamic supramolecular iridium-porphyrin systems.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17195","17205","10.1039/c6dt02619b","","","0.71075","MoKα","","0.0167","0.0151","","","0.0368","0.0376","","","","","","1.045","","","","has coordinates","188173","2020-10-21","18:00:00",""
"7040739","16.5042","0.0007","9.3346","0.0004","32.7148","0.0014","90","","95.369","0.004","90","","5017.9","0.4","190","2","190","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H25 Cl2 N5 O9 Zn -","- C21 H25 Cl2 N5 O9 Zn -","- C168 H200 Cl16 N40 O72 Zn8 -","8","1","","Mendes, Luisa L.; Englert, Daniel; Fernandes, Christiane; Gahan, Lawrence R.; Schenk, Gerhard; Horn, Adolfo","Metallohydrolase biomimetics with catalytic and structural flexibility.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18510","18521","10.1039/c6dt03200a","","x-ray","0.71073","MoKα","","0.0446","0.0346","","","0.0785","0.0845","","","","","","1.035","","","","has coordinates","190113","2020-10-21","18:00:00",""
"7040915","18.3361","0.0009","17.6894","0.0009","28.8013","0.0017","90","","101.112","0.003","90","","9166.7","0.8","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H50 N2 O8 Re2 S2 -","- C42 H50 N2 O8 Re2 S2 -","- C336 H400 N16 O64 Re16 S16 -","8","1","","Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel","Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","45","18346","18355","10.1039/c6dt03428d","","x-ray","0.7107","MoKα","","0.0441","0.0302","","","0.0614","0.0663","","","","","","1.036","","","","has coordinates,has disorder","190152","2020-10-21","18:00:00",""
"7041053","17.661","0.01","9.779","0.003","22.809","0.008","90","","103.96","0.06","90","","3823","3","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C26 H30 Cl2 Cu2 N18 O11 S2 -","- C26 H30 Cl2 Cu2 N18 O11 S2 -","- C104 H120 Cl8 Cu8 N72 O44 S8 -","4","0.5","","Gil-García, Rubén; Ugalde, María; Busto, Natalia; Lozano, Héctor J; Leal, José M; Pérez, Begoña; Madariaga, Gotzon; Insausti, Maite; Lezama, Luis; Sanz, Roberto; Gómez-Sainz, Lidia M; García, Begoña; García-Tojal, Javier","Selectivity of a thiosemicarbazonatocopper(ii) complex towards duplex RNA. Relevant noncovalent interactions both in solid state and solution.","Dalton transactions (Cambridge, England : 2003)","2016","45","46","18704","18718","10.1039/c6dt02907h","","","0.71073","MoKα","","0.0856","0.047","","","","0.1306","","","","","","0.905","","","","has coordinates","190115","2020-10-21","18:00:00",""
"7041170","24.0713","0.0006","14.3578","0.0005","28.5472","0.0015","90","","94.407","0.003","90","","9837.1","0.7","130","0.1","130","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C70 H134 B2 Mn Mo6 N5 O28 -","- C22 B2 Mn Mo6 N2 O28 -","- C88 B8 Mn4 Mo24 N8 O112 -","4","0.5","","Karoui, Hedi; Ritchie, Chris","Boronic acid and boronic ester containing polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18838","18841","10.1039/c6dt04197c","","x-ray","1.54184","CuKα","","0.0895","0.0742","","","0.2487","0.2647","","","","","","1.147","","","","has coordinates,has disorder","190206","2020-10-21","18:00:00",""
"7041201","18.991","0.016","12.924","0.01","22.429","0.019","90","","114.575","0.013","90","","5006","7","113","","113","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H36 N4 O2 Pt -","- C26 H36 N4 O2 Pt -","- C208 H288 N32 O16 Pt8 -","8","1","","Hashimoto, Takumi; Fukumoto, Kanako; Le, Ngoc Ha-Thu; Matsuoka, Tatsuya; Kawamorita, Soichiro; Komiya, Naruyoshi; Naota, Takeshi","Dynamic neighbouring participation of nitrogen lone pairs on the chromogenic behaviour of trans-bis(salicylaldiminato)Pt(ii) coordination platforms.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19257","19268","10.1039/c6dt04005e","","","0.71075","MoKα","","0.1511","0.1106","","","0.2027","0.2335","","","","","","1.129","","","","has coordinates","190142","2020-10-21","18:00:00",""
"7041355","19.1423","0.0014","8.0771","0.0006","22.2684","0.0018","90","","104.894","0.004","90","","3327.3","0.4","180","2","180","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H34 Cl2 Li2 N4 O2 P2 -","- C28 H34 Cl2 Li2 N4 O2 P2 -","- C112 H136 Cl8 Li8 N16 O8 P8 -","4","0.5","","Hanf, S.; García-Rodríguez, R; Feldmann, S.; Bond, A. D.; Hey-Hawkins, E; Wright, D. S.","Multidentate 2-pyridyl-phosphine ligands - towards ligand tuning and chirality.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","814","824","10.1039/c6dt04390a","","","1.54178","CuKα","","0.1085","0.0719","","","0.1768","0.2042","","","","","","1.059","","","","has coordinates,has disorder","191625","2020-10-21","18:00:00",""
"7041666","31.8764","0.0019","10.3125","0.0006","58.334","0.003","90","","104.529","0.003","90","","18562.6","1.8","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C96 H76 Cl6 Co3 N12 O14 -","- C96 H72 Cl6 Co3 N12 O14 -","- C768 H576 Cl48 Co24 N96 O112 -","8","1","","Hao, Shao Yun; Hou, Suo Xia; Van Hecke, Kristof; Cui, Guang Hua","Construction of noninterpenetrating and interpenetrating Co(ii) networks with halogenated carboxylate modulated by auxiliary N-donor co-ligands: structural diversity, electrochemical and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1951","1964","10.1039/c6dt04516b","","","0.71073","MoKα","","0.0736","0.0529","","","0.1317","0.1437","","","","","","1.039","","","","has coordinates,has disorder","193814","2020-10-21","18:00:00",""
"7041724","31.576","0.002","19.4882","0.0011","27.13","0.002","90","","112.29","0.009","90","","15447","2","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C74.5 H74.5 Co2 I N12.5 O6 U -","- C74.5 H74.5 Co2 I N12.5 O6 U -","- C596 H596 Co16 I8 N100 O48 U8 -","8","1","","Chatelain, Lucile; Tuna, Floriana; Pécaut, Jacques; Mazzanti, Marinella","Synthesis and SMM behaviour of trinuclear versus dinuclear 3d-5f uranyl(v)-cobalt(ii) cation-cation complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5498","5502","10.1039/c6dt04558h","","","0.71073","MoKα","","0.1838","0.0864","","","0.1943","0.2495","","","","","","1.011","","","","has coordinates,has disorder","196405","2020-10-21","18:00:00",""
"7042177","14.3082","0.0002","14.4145","0.0001","15.9946","0.0002","90","","110.255","0.002","90","","3094.82","0.07","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H36 Cl Ir N4 O2 -","- C35 H36 Cl Ir N4 O2 -","- C140 H144 Cl4 Ir4 N16 O8 -","4","0.5","","Ou, Arnold; Wu, Linglin; Salvador, Alvaro; Sipos, Gellert; Zhao, Guangzhen; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","New, potentially chelating NHC ligands; synthesis, complexation studies, and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3631","3641","10.1039/c6dt04534k","","","0.71073","MoKα","","0.0369","0.0308","","","0.0792","0.0826","","","","","","1.004","","","","has coordinates,has disorder","195093","2020-10-21","18:00:00",""
"7042257","11.4581","0.0005","32.7007","0.0012","21.723","0.0011","90","","93.48","0.005","90","","8124.3","0.6","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C33 H22 F12 N6 O P2 Ru -","- C33 H22 F12 N6 O P2 Ru -","- C264 H176 F96 N48 O8 P16 Ru8 -","8","1","","Ghosh, Debashis; Fukushima, Takashi; Kobayashi, Katsuaki; Sen, Susan; Kitagawa, Susumu; Kato, Tatsuhisa; Tanaka, Koji","Base assisted C-C coupling between carbonyl and polypyridyl ligands in a Ru-NADH-type carbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4373","4381","10.1039/c7dt00312a","","","0.71075","MoKα","","0.1324","0.0818","","","0.2087","0.2429","","","","","","1.041","","","","has coordinates","195080","2020-10-21","18:00:00",""
"7042587","23.0224","0.0003","14.3012","0.0001","28.463","0.0004","90","","113.744","0.002","90","","8578.1","0.2","150","2","150","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H68 N2 O4 Ti -","- C42 H68 N2 O4 Ti -","- C336 H544 N16 O32 Ti8 -","8","1","","McKeown, Paul; Brown-Humes, James; Davidson, Matthew G.; Mahon, Mary F.; Woodman, Timothy J.; Jones, Matthew D.","Ligands and complexes based on piperidine and their exploitation of the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2017","46","15","5048","5057","10.1039/c7dt00751e","","x-ray","1.54184","CuKα","","0.0458","0.0412","","","0.1099","0.1137","","","","","","1.055","","","","has coordinates,has disorder","196470","2020-10-21","18:00:00",""
"7042696","18.9791","0.0003","11.1202","0.00016","38.2266","0.0005","90","","101.128","0.0014","90","","7916.1","0.2","120","1","120","1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H45 Cl N O0.5 P2 Zr -","- C45 H40 Cl N P2 Zr -","- C360 H320 Cl8 N8 P16 Zr8 -","8","1","","Sietzen, Malte; Batke, Sonja; Antoni, Patrick W.; Wadepohl, Hubert; Ballmann, Joachim","Benzylene-linked [PNP] scaffolds and their cyclometalated zirconium and hafnium complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00413C","","x-ray","0.71073","MoKα","","0.0479","0.0342","","","0.0759","0.081","","","","","","1.024","","","","has coordinates","195405","2020-10-21","18:00:00",""
"7042994","6.1355","0.0004","13.0213","0.0007","14.8255","0.0007","90","","91.798","0.005","90","","1183.86","0.11","119.9","0.14","119.9","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C10 H13.5 O4.75 Zn -","- C10 H12 O4.75 Zn -","- C40 H48 O19 Zn4 -","4","0.5","","Llabres, Pedro; Pitarch-Jarque, Javier; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; García-España, Enrique","Bicyclo[2.2.2]octane-1,4-dicarboxylic acid: Towards Transparent Metal-Organic Frameworks.","Dalton Trans.","2017","","","","","10.1039/C7DT00855D","","x-ray","0.71073","MoKα","","0.0432","0.0385","","","0.0925","0.0975","","","","","","1.069","","","","has coordinates,has disorder","196732","2020-10-21","18:00:00",""
"7043030","27.9302","0.0015","9.0371","0.0004","24.5199","0.001","90","","104.89","0.005","90","","5981.2","0.5","170","2","170","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C29.25 H37.25 Mo N2.25 O4 -","- C29.25 H37.25 Mo N2.25 O4 -","- C234 H298 Mo8 N18 O32 -","8","1","","Hossain, M. K.; Haukka, M.; Sillanpää, R.; Hrovat, D. A.; Richmond, M. G.; Nordlander, E.; Lehtonen, A.","Syntheses and catalytic oxotransfer activities of oxo molybdenum(vi) complexes of a new aminoalcohol phenolate ligand","Dalton Trans.","2017","","","","","10.1039/C7DT00846E","","","0.71073","MoKα","","0.0694","0.0475","","","0.1174","0.1293","","","","","","1.063","","","","has coordinates,has disorder","196780","2020-10-21","18:00:00",""
"7043297","15.9425","0.0003","14.9601","0.0003","25.6721","0.0006","90","","103.822","0.002","90","","5945.5","0.2","300","3","300","3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H29 Cl3 N P2 Re -","- C28 H29 Cl3 N P2 Re -","- C224 H232 Cl24 N8 P16 Re8 -","8","1","","Salvarese, Nicola; Refosco, Fiorenzo; Seraglia, Roberta; Roverso, Marco; Dolmella, Alessandro; Bolzati, Cristina","Synthesis and Characterization of Rhenium(III) Complexes with (Ph2PCH2CH2)2NR Diphosphinoamine Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01032J","","x-ray","0.71073","MoKα","","0.0389","0.0236","","","0.047","0.0537","","","","","","1.094","","","","has coordinates,has disorder","197756","2020-10-21","18:00:00",""
"7043395","39.5026","0.0009","21.495","0.0006","30.4701","0.0009","90","","90.077","0.002","90","","25872.4","1.2","123","0.1","123","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C170.72 H111 F60.23 Fe4 N29 O6.17 P3.67 S0.73 -","- C170.73 H111 F60.21 Fe4 N29 O6.19 P3.67 S0.73 -","- C682.92 H444 F240.84 Fe16 N116 O24.76 P14.68 S2.92 -","4","0.5","","Struch, Niklas; Topić, Filip; Rissanen, Kari; Lützen, Arne","Electron-deficient trifluoromethyl-substituted sub-components affect the properties of M4L4 tetrahedral cages","Dalton Trans.","2017","","","","","10.1039/C7DT02182H","","x-ray","1.54184","CuKα","","0.1138","0.0965","","","0.2914","0.3161","","","","","","1.283","","","","has coordinates,has disorder","198057","2020-10-21","18:00:00",""
"7043453","16.41","0.0005","10.5443","0.0003","28.294","0.0009","90","","92.541","0.003","90","","4891","0.3","295","2","295","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C22 H11 Cl N3 O3 Re S4 -","- C22 H11 Cl N3 O3 Re S4 -","- C176 H88 Cl8 N24 O24 Re8 S32 -","8","1","","Machura, Barbara; Klemens, Tomasz; Czerwińska, Katarzyna Anna; Szłapa-Kula, Agata; Kula, Sławomir; Switlicka, Anna; Kotowicz, Sonia; Siwy, Mariola; Bednarczyk, Katarzyna; Krompiec, Stanislaw; Smolarek, Karolina; Mackowski, Sebastian; Danikiewicz, Witold; Schab-Balcerzak, Ewa","Synthesis, spectroscopic, electrochemical and computational studies of rhenium(I) tricarbonyl complexes based on bidentate-coordinated 2,6-di(thiazol-2-yl)pyridine derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT01948C","","","0.71073","MoKα","","0.0278","0.022","","","0.0481","0.0506","","","","","","1.044","","","","has coordinates","198186","2020-10-21","18:00:00",""
"7043478","15.883","0.0003","20.6312","0.0004","17.6293","0.0004","90","","105.672","0.002","90","","5562.1","0.2","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H23 F6 N5 O6 S2 -","- C24.9998 H23 F5.9994 N5 O5.9994 S1.9998 -","- C199.998 H184 F47.9952 N40 O47.9952 S15.9984 -","8","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0794","0.071","","","0.1928","0.2015","","","","","","1.058","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043646","17.0361","0.0006","14.2521","0.0005","26.0871","0.0009","90","","90.091","0.003","90","","6333.9","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16.33 H15.33 Cl2 Fe0.67 N1.33 O2 S1.33 -","- C16.3333 H15.3333 Cl2 Fe0.666667 N1.33333 O2 S1.33333 -","- C196 H184 Cl24 Fe8 N16 O24 S16 -","12","1.5","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","1.54184","CuKα","","0.096","0.0719","","","0.1838","0.2048","","","","","","1.024","","","","has coordinates,has disorder","198772","2020-10-21","18:00:00",""
"7043688","16.22709","0.00011","15.7879","0.00012","30.1873","0.0003","90","","101.454","0.0008","90","","7579.72","0.11","183","2","183","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C25 H50 F3 O12 P3 Re S -","- C25 H50 F3 O12 P3 Re S -","- C200 H400 F24 O96 P24 Re8 S8 -","8","1","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","1.54184","CuKα","","0.0598","0.0562","","","0.1724","0.1765","","","","","","1.051","","","","has coordinates,has disorder","198800","2020-10-21","18:00:00",""
"7043841","20.792","0.002","11.4774","0.0019","33.058","0.004","90","","104.499","0.009","90","","7637.7","1.8","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C76 H118 Ag Na O10 S2 Si2 -","- C76 H118 Ag Na O10 S2 Si2 -","- C304 H472 Ag4 Na4 O40 S8 Si8 -","4","0.5","","Ciborska, Anna; Hnatejko, Zbigniew; Kazimierczuk, Katarzyna; Mielcarek, Agnieszka; Wiśniewska, Aleksandra; Dołęga, Anna","Silver complexes stabilized by large silanethiolate ligands ‒ crystal structures and luminescence properties","Dalton Trans.","2017","","","","","10.1039/C7DT00740J","","","0.71073","MoKα","","0.0616","0.0396","","","0.0911","0.1024","","","","","","1.011","","","","has coordinates","199377","2020-10-21","18:00:00",""
"7043980","23.7287","0.0005","11.12035","0.00019","20.8616","0.0005","90","","108.371","0.002","90","","5224.2","0.2","120","0.1","120","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H75 Br10 N5 Re2 -","- C35 H75 Br10 N5 Re2 -","- C140 H300 Br40 N20 Re8 -","4","0.5","","Brechin, Euan K.; Pedersen, Anders Hjordt H.; Julve, Miguel; Martínez-Lillo, José; Cano, Joan","Magneto-structural correlations in dirhenium(IV) complexes possessing magnetic pathways with even or odd numbers of atoms.","Dalton Trans.","2017","","","","","10.1039/C7DT02612A","","x-ray","0.71073","MoKα","","0.0348","0.0275","","","0.0436","0.0453","","","","","","1.119","","","","has coordinates","199789","2020-10-21","18:00:00",""
"7044018","22.2529","0.0004","17.8637","0.0004","18.7897","0.0003","90","","103.208","0.0018","90","","7271.7","0.2","100.01","0.11","100.01","0.11","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C68 H86 Br4 N4 Ni -","- C68 H86 Br4 N4 Ni -","- C272 H344 Br16 N16 Ni4 -","4","0.5","","Ghadwal, Rajendra S.; Ho, Nga Kim; Neumann, Beate; Stammler, Georg; Menezes da Silva, Vitor Hugo; Watanabe, Daniel; Braga, Ataualpa A. C.","Nickel-Catalysed Direct C2-Arylation of N-Heterocyclic Carbene","Dalton Trans.","2017","","","","","10.1039/C7DT03099A","","x-ray","0.71073","MoKα","","0.057","0.039","","","0.0909","0.0963","","","","","","1.049","","","","has coordinates","199915","2020-10-21","18:00:00",""
"7044178","9.8122","0.0014","20.3","0.003","16.2816","0.0011","90","","101.119","0.01","90","","3182.2","0.7","140","2","140","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Complex2","","- C33 H35 Au F6 N3 Sb -","- C33 H35 Au F6 N3 Sb -","- C132 H140 Au4 F24 N12 Sb4 -","4","0.5","","Williams, Morwen; Green, Adam I.; Fernandez-Cestau, Julio; Hughes, David L.; O'Connell, Maria Anne; Searcey, Mark; Bertrand, Benoît; Bochmann, Manfred","(C^Npz^C)AuIII complexes of acyclic carbene ligands: synthesis and anticancer properties","Dalton Trans.","2017","","","","","10.1039/C7DT02804K","","x-ray","0.71073","MoKα","","0.0458","0.0373","","","0.0902","0.0969","","","","","","1.024","","","","has coordinates,has disorder","200587","2020-10-21","18:00:00",""
"7044249","37.437","0.003","10.2622","0.0004","37.6634","0.0016","90","","95.91","0.002","90","","14392.8","1.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H36 Fe2 N2 O6 S3 -","- C34 H36 Fe2 N2 O6 S3 -","- C544 H576 Fe32 N32 O96 S48 -","16","2","","Beltrán Álvarez, Tomás Francisco F.; Zaragoza, Guillermo; Delaude, Lionel","Small iron‒carbonyl clusters bearing imidazolium-2-trithioperoxycarboxylate ligands","Dalton Trans.","2017","","","","","10.1039/C7DT03202A","","x-ray","0.7107","MoKα","","0.0727","0.0393","","","0.0816","0.0923","","","","","","1.015","","","","has coordinates","200953","2020-10-21","18:00:00",""
"7044850","18.9321","0.0003","11.23471","0.00018","15.6066","0.0002","90","","96.7047","0.0015","90","","3296.77","0.09","110","2","110","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 F12 N6 O2 P2 Ru S2 -","- C26 H32 F12 N6 O2 P2 Ru S2 -","- C104 H128 F48 N24 O8 P8 Ru4 S8 -","4","0.5","","van Rixel, Vincent H. S.; Moolenaar, Geri F.; Siegler, Maxime A.; Messori, Luigi; Bonnet, Sylvestre","Controlling with light the interaction between trans-tetrapyridyl ruthenium complexes and an oligonucleotide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","507","516","10.1039/c7dt03613b","","","1.54178","CuKα","","0.0399","0.0378","","","0.1016","0.1034","","","","","","1.061","","","","has coordinates","229570","2020-10-21","18:00:00",""
"7045134","13.099","0.003","13.734","0.003","15.973","0.007","90","","106.33","0.03","90","","2757.6","1.5","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 Cl4 Cu3 N8 O2 -","- C26 H20 Cl4 Cu3 N8 O2 -","- C104 H80 Cl16 Cu12 N32 O8 -","4","0.5","","Anwar, Muhammad U.; Al-Harrasi, Ahmed; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.; Thompson, Laurence K.","A new nitrogen rich open chain diazine ligand system: synthesis coordination chemistry and magneto-structural studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2511","2521","10.1039/c7dt03845c","","","0.71073","MoKα","","0.0537","0.0365","","","0.1009","0.1162","","","","","","1.006","","","","has coordinates","229404","2020-10-21","18:00:00",""
"7045164","8.80293","0.00011","10.78288","0.00015","17.1646","0.0002","90","","96.4375","0.0012","90","","1619.01","0.04","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H10 N4 O6 P2 Pt -","- C12 H10 N4 O6 P2 Pt -","- C48 H40 N16 O24 P8 Pt4 -","4","0.5","","Kobayashi, Atsushi; Yamamoto, Naotaka; Shigeta, Yasuhiro; Yoshida, Masaki; Kato, Masako","Two-way vapochromism of a luminescent platinum(ii) complex with phosphonic-acid-functionalized bipyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1548","1556","10.1039/c7dt04324d","","","0.71075","MoKα","","0.0161","0.0158","","","0.0416","0.0417","","","","","","1.144","","","","has coordinates","229453","2020-10-21","18:00:00",""
"7045280","21.5856","0.0005","7.79566","0.00019","23.7897","0.0006","90","","98.429","0.002","90","","3959.95","0.17","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C17 H12 F8 O7 Zn -","- C17 H12 F8 O7 Zn -","- C136 H96 F64 O56 Zn8 -","8","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Metal-organic frameworks based on octafluorobiphenyl-4,4'-dicarboxylate: synthesis, crystal structure, and surface functionality.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3283","3297","10.1039/c7dt04566b","","x-ray","0.71073","MoKα","","0.0306","0.0252","","","0.064","0.0666","","","","","","1.033","","","","has coordinates","229246","2020-10-21","18:00:00",""
"7045596","26.3237","0.0005","3.84158","0.00008","35.9106","0.0008","90","","91.6279","0.0019","90","","3629.98","0.13","100","0.1","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C184 H120 N24 O8 -","8","1","","Farrow, Charlotte M. A.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Platts, James A.; Coogan, M. P.","Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3906","3912","10.1039/c7dt04744d","","","1.54184","CuKα","","0.0433","0.0387","","","0.1028","0.1069","","","","","","1.032","","","","has coordinates","229988","2020-10-21","18:00:00",""
"7045735","11.735","0.0007","4.1334","0.0002","18.8476","0.0011","90","","99.241","0.005","90","","902.35","0.09","99.95","0.18","99.95","0.18","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C4 H6 Au2 S4 -","- C4 H6 Au2 S4 -","- C16 H24 Au8 S16 -","4","0.5","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Diversity of aggregation motifs in gold(i) dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4701","4706","10.1039/c8dt00342d","","x-ray","1.54184","CuKα","","0.0387","0.0368","","","0.1175","0.1192","","","","","","1.11","","","","has coordinates","229740","2020-10-21","18:00:00",""
"7045791","17.011","0.0007","7.4545","0.0003","26.895","0.0015","90","","100.247","0.004","90","","3356.1","0.3","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H36 N10 O6 S2 Zn -","- C26 H36 N10 O6 S2 Zn -","- C104 H144 N40 O24 S8 Zn4 -","4","0.5","","Tarai, Arup; Baruah, Jubaraj B.","Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4921","4930","10.1039/C8DT00453F","","","0.71073","MoKα","","0.044","0.0342","","","0.1067","0.1148","","","","","","1.058","","","","has coordinates","229764","2020-10-21","18:00:00",""
"7045849","29.181","0.003","13.3905","0.0016","37.295","0.004","90","","97.3133","0.0015","90","","14454","3","173","2","173","2","","","","","","","synthesis as described","9","I 1 2/a 1","-I 2ya","15","","","","- C51 H97 B F4 N O P5 Re6 Se8 -","- C51 H97 B F4 N O P5 Re6 Se8 -","- C408 H776 B8 F32 N8 O8 P40 Re48 Se64 -","8","1","","Chin, Colleen P.; Ren, YiXin; Berry, Joan; Knott, Stanley A.; McLauchlan, Craig C.; Szczepura, Lisa F.","Small molecule activation of nitriles coordinated to the [Re<sub>6</sub>Se<sub>8</sub>]<sup>2+</sup> core: formation of oxazine, oxazoline and carboxamide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4653","4660","10.1039/c7dt04907b","","","0.71073","MoKα","","0.0629","0.0299","","","0.0634","0.0792","","","","","","1.023","","","","has coordinates","229757","2020-10-21","18:00:00",""
"7045952","7.2394","0.0004","12.5205","0.0007","12.8693","0.0007","90","","104.126","0.006","90","","1131.21","0.11","250.1","0.2","250.1","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H14 B2 N2 O2 -","- C10 H14 B2 N2 O2 -","- C40 H56 B8 N8 O8 -","4","0.5","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","x-ray","1.54184","CuKα","","0.0499","0.0459","","","0.1261","0.13","","","","","","1.08","","","","has coordinates","229848","2020-10-21","18:00:00",""
"7046358","21.864","0.004","11.04","0.002","32.266","0.005","90","","101.021","0.005","90","","7645","2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C85 H89 Mg2 N17 -","- C85 H89 Mg2 N17 -","- C340 H356 Mg8 N68 -","4","0.5","","Lemmerz, L. E.; Spaniol, T. P.; Okuda, J.","1,4-Dihydropyridyl complexes of magnesium: synthesis by pyridine insertion into the magnesium-silicon bond of triphenylsilyls and catalytic pyridine hydrofunctionalization.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12553","12561","10.1039/c8dt01466c","","","0.71073","MoKα","","0.064","0.0498","","","0.1223","0.1306","","","","","","1.037","","","","has coordinates,has disorder","229913","2020-10-21","18:00:00",""
"7046359","20.289","0.0015","7.55","0.0005","23.146","0.0014","90","","90.814","0.005","90","","3545.2","0.4","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H31 Mg N5 -","- C16 H31 Mg N5 -","- C128 H248 Mg8 N40 -","8","1","","Lemmerz, L. E.; Spaniol, T. P.; Okuda, J.","1,4-Dihydropyridyl complexes of magnesium: synthesis by pyridine insertion into the magnesium-silicon bond of triphenylsilyls and catalytic pyridine hydrofunctionalization.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12553","12561","10.1039/c8dt01466c","","x-ray","0.71073","MoKα","","0.0973","0.0585","","","0.1362","0.157","","","","","","1.029","","","","has coordinates","229913","2020-10-21","18:00:00",""
"7046588","25.411","0.006","14.7276","0.0017","26.741","0.004","90","","106.92","0.02","90","","9574","3","100.01","0.1","100.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H35 F18 N2 O8 V Y -","- C45 H35 F18 N2 O8 V Y -","- C360 H280 F144 N16 O64 V8 Y8 -","8","1","","Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10692","10701","10.1039/c8dt01262h","","x-ray","1.54178","CuKα","","0.1426","0.0983","","","0.2462","0.2812","","","","","","1.024","","","","has coordinates,has disorder","229824","2020-10-21","18:00:00",""
"7046692","15.2035","0.0017","11.0876","0.0011","15.0618","0.0015","90","","111.081","0.013","90","","2369","0.5","300","0.1","300","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C8 H15 N2 Na O2 S2 -","- C8 H15 N2 Na O2 S2 -","- C64 H120 N16 Na8 O16 S16 -","8","1","","Pettenuzzo, Andrea; Montagner, Diego; McArdle, Patrick; Ronconi, Luca","An innovative and efficient route to the synthesis of metal-based glycoconjugates: proof-of-concept and potential applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10721","10736","10.1039/c8dt01583j","","","0.71073","MoKα","","0.084","0.05","","","0.0873","0.1005","","","","","","1.037","","","","has coordinates","229818","2020-10-21","18:00:00",""
"7046907","18.7605","0.0007","13.5447","0.0006","23.3266","0.001","90","","99.155","0.004","90","","5851.9","0.4","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C63 H76 B2 N8 P2 Rh2 -","- C63 H76 B2 N8 P2 Rh2 -","- C252 H304 B8 N32 P8 Rh8 -","4","0.5","","Barnett, Harrison J.; Burt, Liam K.; Hill, Anthony F.","Simple generation of a dirhodium μ-carbido complex via thiocarbonyl reduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9570","9574","10.1039/c8dt02524j","","x-ray","0.71073","MoKα","","0.0737","0.0474","","","0.1108","0.1279","","","","","","1.11","","","","has coordinates","229165","2020-10-21","18:00:00",""
"7047078","10.5218","0.0007","9.8194","0.0006","28.8151","0.0019","90","","91.524","0.003","90","","2976.1","0.3","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C18 H31 F2 Fe3 N2 O18 P4 -","- C18 H31 F2 Fe3 N2 O18 P4 -","- C72 H124 F8 Fe12 N8 O72 P16 -","4","0.5","","Xu, Hailong; Zhou, Hong; Feng, Lu; Wang, Qiaoyun; Chen, Rui; Huang, Wentao; Wu, Xixi","Synthesis, crystal structures, and magnetic properties of six transition metal phosphonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11226","11238","10.1039/c8dt02070a","","","0.71073","MoKα","","0.0795","0.0486","","","0.0901","0.0979","","","","","","1.036","","","","has coordinates","229366","2020-10-21","18:00:00",""
"7047121","21.3223","0.0006","9.8821","0.0003","28.558","0.003","90","","104.499","0.007","90","","5825.8","0.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C27 H47 Cl2 N P2 Zr -","- C27 H42 Cl2 N P2 Zr -","- C216 H336 Cl16 N8 P16 Zr8 -","8","1","","Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11322","11326","10.1039/c8dt02739k","","","0.71075","MoKα","","0.0602","0.0489","","","0.1034","0.1084","","","","","","1","","","","has coordinates","229419","2020-10-21","18:00:00",""
"7047254","28.1073","0.0002","15.5211","0.0001","43.2805","0.0003","90","","95.97","0.001","90","","18779","0.2","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C198 H222 F6 Mn4 O35 P8 S2 -","- C198 H222 F6 Mn4 O35 P8 S2 -","- C792 H888 F24 Mn16 O140 P32 S8 -","4","0.5","","Kadassery, Karthika J.; MacMillan, Samantha N.; Lacy, David C.","Bisphosphine phenol and phenolate complexes of Mn(i): manganese(i) catalyzed Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12652","12655","10.1039/c8dt02933d","","x-ray","1.54184","CuKα","","0.0626","0.0591","","","0.1744","0.1776","","","","","","1.056","","","","has coordinates,has disorder","229919","2020-10-21","18:00:00",""
"7047318","16.203","0.003","21.769","0.003","19.85","0.004","90","","108.591","0.008","90","","6636","2","293","","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H34 Fe I N4 O2 -","- C30 H34 Fe I N4 O2 -","- C240 H272 Fe8 I8 N32 O16 -","8","1","","Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Telfer, Shane G.; Alkaş, Adil; Ketkaew, Rangsiman; Tantirungrotechai, Yuthana; Jameson, Guy N. L.; Harding, David J.","Solvatomorphism and anion effects in predominantly low spin iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12449","12458","10.1039/c8dt02016g","","x-ray","1.54178","CuKα","","0.1024","0.1005","","","0.2551","0.2618","","","","","","1.22","","","","has coordinates","229942","2020-10-21","18:00:00",""
"7047385","12.5989","0.0003","7.39494","0.00017","17.7897","0.0005","90","","108.536","0.003","90","","1571.45","0.07","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 Cl Fe N2 O2 -","- C16 H16 Cl Fe N2 O2 -","- C64 H64 Cl4 Fe4 N8 O8 -","4","0.5","","Fazekas, Eszter; Nichol, Gary S.; Shaver, Michael P.; Garden, Jennifer A.","Stable Fe(iii) phenoxyimines as selective and robust CO<sub>2</sub>/epoxide coupling catalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13106","13112","10.1039/c8dt02919a","","x-ray","0.71073","MoKα","","0.0298","0.0271","","","0.0676","0.069","","","","","","1.098","","","","has coordinates","229299","2020-10-21","18:00:00",""
"7047493","18.6183","0.0004","11.7709","0.0002","17.3349","0.0002","90","","107.923","0.002","90","","3614.65","0.11","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H32 N2 O10 Ru3 -","- C36 H32 N2 O10 Ru3 -","- C144 H128 N8 O40 Ru12 -","4","0.5","","Singh, Ajeet; Mobin, Shaikh M.; Mathur, Pradeep","Preparation of the Ru<sub>3</sub>(CO)<sub>8</sub>-pyridine-alcohol cluster and its use for the selective catalytic transformation of primary to secondary amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14033","14040","10.1039/c8dt02972e","","","0.71073","MoKα","","0.0268","0.0255","","","0.065","0.0661","","","","","","1.052","","","","has coordinates","229501","2020-10-21","18:00:00",""
"7047585","25.917","0.004","9.2842","0.0011","29.98","0.004","90","","111.474","0.01","90","","6713","1.6","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H30 Cl2 O12 P2 Re2 -","- C48 H30 Cl2 O12 P2 Re2 -","- C192 H120 Cl8 O48 P8 Re8 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Shanmugam, Ramasamy; Arumuganathan, T.; Sathiyendiran, Malaichamy","Phosphine oxide-based tricarbonylrhenium(i) complexes from phosphine/phosphine oxide and dihydroxybenzoquinones.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13894","13901","10.1039/c8dt02985g","","","0.71075","MoKα","","0.0556","0.0516","","","0.1145","0.1168","","","","","","1.104","","","","has coordinates","229515","2020-10-21","18:00:00",""
"7047602","34.8424","0.0009","16.5213","0.0003","44.0605","0.0019","90","","111.359","0.004","90","","23621","1.4","149.9","0.5","149.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cl1.5 Cr8 F8 O32 -","- C80 H144 Cl1.486 Cr8 F8 O32 -","- C640 H1152 Cl11.888 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0599","0.0471","","","0.1231","0.1324","","","","","","1.022","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047603","44.1693","0.0011","16.514","0.0003","34.8521","0.001","90","","111.369","0.003","90","","23673.9","1.1","150.02","0.11","150.02","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Br1.6 Cr8 F8 O32 -","- C80 H144 Br1.6034 Cr8 F8 O32 -","- C640 H1152 Br12.8272 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0757","0.0472","","","0.1054","0.1194","","","","","","1.016","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047604","34.6995","0.0009","16.5534","0.0003","44.5351","0.0013","90","","111.281","0.003","90","","23836.4","1.1","198.94","0.1","198.94","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.52 O32 -","- C80 H144 Cr8 F8 I0.5238 O32 -","- C640 H1152 Cr64 F64 I4.1904 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0802","0.0588","","","0.1542","0.1662","","","","","","1.034","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047605","34.6969","0.0009","16.5495","0.0003","44.5379","0.0013","90","","111.304","0.003","90","","23826.8","1.1","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.59 O32 -","- C80 H144 Cr8 F8 I0.595 O32 -","- C640 H1152 Cr64 F64 I4.76 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0791","0.0578","","","0.1536","0.1655","","","","","","1.042","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047606","34.7097","0.001","16.5768","0.0003","44.5614","0.0015","90","","111.273","0.004","90","","23892.5","1.3","199.14","0.1","199.14","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32 -","- C80 H144 Cr8 F8 O32 -","- C640 H1152 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.085","0.0639","","","0.1597","0.1714","","","","","","1.027","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047607","34.6879","0.0009","16.5552","0.0003","44.5048","0.0013","90","","111.249","0.003","90","","23820","1.1","200","2","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H142.84 Cr8 F8 I0.36 O32 -","- C80 H144 Cr8 F8 I0.3558 O32 -","- C640 H1152 Cr64 F64 I2.8464 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0806","0.058","","","0.1528","0.1654","","","","","","1.037","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047608","34.7183","0.0008","16.548","0.0003","44.5613","0.0013","90","","111.39","0.003","90","","23837.9","1.1","200.01","0.1","200.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.91 O32 -","- C80 H144 Cr8 F8 I0.9076 O32 -","- C640 H1152 Cr64 F64 I7.2608 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0798","0.0586","","","0.149","0.1594","","","","","","1.025","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047609","34.7964","0.0009","16.5728","0.0003","44.4195","0.0013","90","","111.368","0.003","90","","23854.7","1.1","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cl1.47 Cr8 F8 O32 -","- C80 H144 Cl1.466 Cr8 F8 O32 -","- C640 H1152 Cl11.728 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0759","0.0586","","","0.1405","0.1495","","","","","","1.024","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047610","44.516","0.0014","16.538","0.0003","34.6653","0.0009","90","","111.347","0.003","90","","23769.9","1.2","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.74 O32 -","- C80 H144 Cr8 F8 I0.738 O32 -","- C640 H1152 Cr64 F64 I5.904 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0819","0.0599","","","0.1537","0.1644","","","","","","1.024","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047611","34.7238","0.001","16.5752","0.0005","44.522","0.002","90","","111.178","0.004","90","","23894.2","1.6","199.78","0.1","199.78","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32 -","- C80 H144 Cr8 F8 O32 -","- C640 H1152 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.1168","0.0703","","","0.1641","0.1879","","","","","","1.013","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047612","34.7258","0.001","16.5727","0.0005","44.528","0.002","90","","111.19","0.004","90","","23893.2","1.6","199.73","0.1","199.73","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.26 O32 -","- C80 H144 Cr8 F8 I0.258 O32 -","- C640 H1152 Cr64 F64 I2.064 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.1139","0.0671","","","0.1443","0.1653","","","","","","1.013","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047613","34.7987","0.0008","16.6176","0.0003","44.7185","0.0012","90","","111.18","0.003","90","","24112.6","1.1","200","","200","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32 -","- C80 H144 Cr8 F8 O32 -","- C640 H1152 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0986","0.0692","","","0.183","0.2005","","","","","","1.014","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047614","34.7598","0.0003","16.4784","0.0001","43.8863","0.0004","90","","111.28","0.001","90","","23423.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.76 O32 -","- C80 H144 Cr8 F8 I0.7584 O32 -","- C640 H1152 Cr64 F64 I6.0672 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","1.54184","CuKα","","0.0559","0.0487","","","0.132","0.1369","","","","","","1.047","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047615","34.7173","0.001","16.5607","0.0005","44.517","0.002","90","","111.303","0.005","90","","23845.9","1.7","200.03","0.1","200.03","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.62 O32 -","- C80 H144 Cr8 F8 I0.6248 O32 -","- C640 H1152 Cr64 F64 I4.9984 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.1209","0.0706","","","0.1594","0.1819","","","","","","1.017","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047616","34.6926","0.0009","16.5516","0.0003","44.517","0.0013","90","","111.263","0.003","90","","23822.3","1.1","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.46 O32 -","- C80 H144 Cr8 F8 I0.4616 O32 -","- C640 H1152 Cr64 F64 I3.6928 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.08","0.0582","","","0.1534","0.1656","","","","","","1.032","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047617","34.702","0.001","16.561","0.0005","44.493","0.002","90","","111.207","0.004","90","","23838.5","1.6","199.7","0.1","199.7","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.29 O32 -","- C80 H144 Cr8 F8 I0.2926 O32 -","- C640 H1152 Cr64 F64 I2.3408 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.1112","0.0661","","","0.144","0.1641","","","","","","1.011","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047618","34.8212","0.0008","16.6141","0.0003","44.6966","0.0012","90","","111.247","0.003","90","","24100.4","1.1","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Br0.46 Cr8 F8 O32 -","- C80 H144 Br0.458 Cr8 F8 O32 -","- C640 H1152 Br3.664 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0899","0.0626","","","0.1562","0.1706","","","","","","1.018","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047619","34.8657","0.0008","16.5762","0.0003","44.549","0.0012","90","","111.427","0.003","90","","23967.2","1.1","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Br1.41 Cr8 F8 O32 -","- C80 H144 Br1.408 Cr8 F8 O32 -","- C640 H1152 Br11.264 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0905","0.0609","","","0.1494","0.1639","","","","","","1.024","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047620","34.6932","0.0009","16.5547","0.0003","44.5153","0.0014","90","","111.259","0.003","90","","23826.9","1.2","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.4 O32 -","- C80 H144 Cr8 F8 I0.4028 O32 -","- C640 H1152 Cr64 F64 I3.2224 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0809","0.0587","","","0.1549","0.1672","","","","","","1.038","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047721","6.2318","0.0004","34.13","0.003","6.9115","0.0004","90","","95.703","0.007","90","","1462.74","0.18","173","1","173","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","cobalt(II) benzoate trihydrate","","- C14 H16 Co O7 -","- C14 H16 Co O7 -","- C56 H64 Co4 O28 -","4","0.5","","Vráblová, Anna; Černák, Juraj; Rajnák, Cyril; Dlháň, Ľubor; Tomás, Milagros; Falvello, Larry R.; Boča, Roman","Exceptionally slow magnetic relaxation in cobalt(ii) benzoate trihydrate.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15523","15529","10.1039/c8dt03610a","","x-ray","0.71073","MoKα","","0.0558","0.0426","","","0.0976","0.1056","","","","","","1.044","","","","has coordinates","229438","2020-10-21","18:00:00",""
"7047745","12.3793","0.0006","14.3928","0.0008","32.473","0.002","90","","91.108","0.004","90","","5784.7","0.6","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27.5 H51 Ir O P2 -","- C27.5 H51 Ir O P2 -","- C220 H408 Ir8 O8 P16 -","8","1","","Lekich, Travis T.; Gary, J. Brannon; Bellows, Sarina M.; Cundari, Thomas R.; Guard, Louise M.; Heinekey, D. Michael","H<sub>2</sub> addition to (<sup>Me4</sup>PCP)Ir(CO): studies of the isomerization mechanism.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16119","16125","10.1039/c8dt02861c","","","0.71073","MoKα","","0.0365","0.0217","","","0.0376","0.042","","","","","","1.046","","","","has coordinates","229959","2020-10-21","18:00:00",""
"7047847","23.8548","0.0012","9.0603","0.0005","35.985","0.002","90","","106.589","0.003","90","","7453.8","0.7","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C77 H64 Cl6 N2 O2 P4 Pd2 -","- C77 H64 Cl6 N2 O2 P4 Pd2 -","- C308 H256 Cl24 N8 O8 P16 Pd8 -","4","0.5","","Fernández-Figueiras, Adolfo; Lucio-Martínez, Fátima; Munín-Cruz, Paula; Polo-Ces, Paula; Reigosa, Francisco; Adams, Harry; Pereira, M. Teresa; Vila, José M","Palladium iminophosphorane complexes: the pre-cursors to the missing link in triphenylphosphane chalcogenide metallacycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15801","15807","10.1039/c8dt03062f","","","0.71073","MoKα","","0.0641","0.0492","","","0.1327","0.1396","","","","","","1.105","","","","has coordinates","229281","2020-10-21","18:00:00",""
"7048180","17.0062","0.0005","10.9658","0.0003","13.4337","0.0004","90","","99.16","0.003","90","","2473.26","0.13","302.2","0.4","302.2","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 Cd2 N6 O13 -","- C20 H20 Cd2 N6 O13 -","- C80 H80 Cd8 N24 O52 -","4","0.5","","Wang, Chen-Xue; Xia, Yu-Pei; Yao, Zhao-Quan; Xu, Jialiang; Chang, Ze; Bu, Xian-He","Two luminescent coordination polymers as highly selective and sensitive chemosensors for Cr<sup>VI</sup>-anions in aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","387","394","10.1039/c8dt04230f","","x-ray","1.54184","CuKα","","0.0281","0.026","","","0.0682","0.0694","","","","","","1.062","","","","has coordinates,has disorder","224124","2020-10-21","18:00:00",""
"7048181","16.3819","0.0002","10.7728","0.0002","13.4974","0.0002","90","","98.286","0.001","90","","2357.14","0.06","298.69","0.11","298.69","0.11","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 N6 O13 Zn2 -","- C20 H20 N6 O13 Zn2 -","- C80 H80 N24 O52 Zn8 -","4","0.5","","Wang, Chen-Xue; Xia, Yu-Pei; Yao, Zhao-Quan; Xu, Jialiang; Chang, Ze; Bu, Xian-He","Two luminescent coordination polymers as highly selective and sensitive chemosensors for Cr<sup>VI</sup>-anions in aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","387","394","10.1039/c8dt04230f","","x-ray","1.54184","CuKα","","0.0301","0.0285","","","0.0759","0.077","","","","","","1.041","","","","has coordinates,has disorder","224124","2020-10-21","18:00:00",""
"7048213","20.275","0.0004","13.9256","0.0003","29.0584","0.0012","90","","106.096","0.003","90","","7882.8","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H43 Br2 Er N4 O17 Zn -","- C28 H29 Br2 Er N4 O13 Zn -","- C224 H232 Br16 Er8 N32 O104 Zn8 -","8","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0324","0.0266","","","0.0632","0.0657","","","","","","1.033","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048216","20.3151","0.0002","13.9186","0.0001","29.0441","0.0005","90","","106.038","0.001","90","","7892.81","0.17","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H43 Br2 Dy N4 O17 Zn -","- C28 H29 Br2 Dy N4 O13 Zn -","- C224 H232 Br16 Dy8 N32 O104 Zn8 -","8","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.029","0.0242","","","0.0521","0.0541","","","","","","1.058","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048220","20.342","0.0006","14.7835","0.0004","28.2615","0.0012","90","","106.543","0.004","90","","8147.2","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","{[bis(N,N'-dimethyl-N,N'-bis(2-hydroxy-3-formyl-5-bromobenzyl)ethylenediamine) bis(2-hydroxysalicylato-kO:kO')bis(nitrato-kO:kO') erbium(III)zinc(II)] di(acetonitrile)}","","- C31 H30 Br2 Er N6 O13 Zn -","- C27 H24 Br2 Er N4 O13 Zn -","- C216 H192 Br16 Er8 N32 O104 Zn8 -","8","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0726","0.0455","","","0.0934","0.105","","","","","","0.998","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048472","12.3784","0.0002","19.1075","0.0003","21.1751","0.0003","90","","90.0587","0.0007","90","","5008.34","0.13","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C14 H28 Cl2 N4 Ni O9 S2 -","- C14 H26 Cl2 N4 Ni O9.0155 S2 -","- C112 H208 Cl16 N32 Ni8 O72.124 S16 -","8","1","","Gerschel, P.; Warm, K.; Farquhar, E. R.; Englert, U.; Reback, M. L.; Siegmund, D.; Ray, K.; Apfel, U.-P.","Sulfur substitution in a Ni(cyclam) derivative results in lower overpotential for CO<sub>2</sub> reduction and enhanced proton reduction.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","5923","5932","10.1039/c8dt04740e","","","0.71073","MoKα","","0.0817","0.0757","","","0.1859","0.1919","","","","","","1.027","","","","has coordinates,has disorder","224407","2020-10-21","18:00:00",""
"7048581","26.8222","0.0019","10.0205","0.0007","40.384","0.003","90","","105.795","0.001","90","","10444.3","1.3","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C51 H62.5 Cl2 N3.5 O4 W -","- C51 H62.5 Cl2 N3.5 O4 W -","- C408 H500 Cl16 N28 O32 W8 -","8","1","","Sun, Ziyue; Zhao, Yanxia; Prior, Timothy J.; Elsegood, Mark R. J.; Wang, Kuiyuan; Xing, Tian; Redshaw, Carl","Mono-oxo molybdenum(vi) and tungsten(vi) complexes bearing chelating aryloxides: synthesis, structure and ring opening polymerization of cyclic esters","Dalton Transactions","2019","","","","","10.1039/C8DT04566F","","","0.71073","MoKα","","0.0478","0.0373","","","0.0724","0.0754","","","","","","1.191","","","","has coordinates,has disorder","212970","2020-10-21","18:00:00",""
"7048693","24.7398","0.0005","25.2842","0.0005","25.498","0.003","90","","118.7","0.005","90","","13990.2","1.8","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37 H71 I5 Mo2 N2 P3 -","- C21.75 H35.25 I2.25 Mo0.75 N0.75 P1.5 -","- C348 H564 I36 Mo12 N12 P24 -","16","2","","Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation","Dalton Transactions","2019","","","","","10.1039/C8DT04975K","","","0.71075","MoKα","","0.067","0.0488","","","0.1026","0.1085","","","","","","1.026","","","","has coordinates","213248","2020-10-21","18:00:00",""
"7049035","11.2469","0.0004","29.1732","0.0009","12.3612","0.0004","90","","92.248","0.003","90","","4052.7","0.2","130","2","130","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H42 Co Li N3 O9 -","- C35 H33 Co Li N2 O8 -","- C140 H132 Co4 Li4 N8 O32 -","4","0.5","","Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.","Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3676","3686","10.1039/c8dt05136d","","x-ray","0.71073","MoKα","","0.0934","0.0782","","","0.243","0.2578","","","","","","1.053","","","","has coordinates","224534","2020-10-21","18:00:00",""
"7049036","11.8491","0.0005","29.0049","0.001","12.2371","0.0004","90","","93.249","0.003","90","","4198.9","0.3","130","2","130","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H36 Li N3 O9 Zn -","- C33 H29 Li N2 O8 Zn -","- C132 H116 Li4 N8 O32 Zn4 -","4","0.5","","Sapianik, Aleksandr A.; Kiskin, Mikhail A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Audebrand, Nathalie; Sun, Yaguang; Fedin, Vladimir P.","Rational synthesis and dimensionality tuning of MOFs from preorganized heterometallic molecular complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3676","3686","10.1039/c8dt05136d","","x-ray","0.71073","MoKα","","0.0795","0.0657","","","0.2063","0.218","","","","","","1.061","","","","has coordinates,has disorder","224534","2020-10-21","18:00:00",""
"7049148","19.0779","0.0005","11.5597","0.0003","39.5676","0.0009","90","","100.891","0.003","90","","8568.9","0.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44.5 H72 Al B N4 -","- C44.5 H72 Al B N4 -","- C356 H576 Al8 B8 N32 -","8","1","","Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon","Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10845","10852","10.1039/c9dt00535h","","","1.54184","CuKα","","0.0837","0.0677","","","0.1917","0.21","","","","","","1.046","","","","has coordinates,has disorder","223743","2020-10-21","18:00:00",""
"7049243","11.0605","0.0019","21.638","0.004","23.462","0.004","90","","97.585","0.007","90","","5566","1.7","93","","93","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66 H64 F6 Ir N4 P -","- C66 H64 F6 Ir N4 P -","- C264 H256 F24 Ir4 N16 P4 -","4","0.5","","Henwood, Adam F.; Antón-García, Daniel; Morin, Mégane; Rota Martir, Diego; Cordes, David B.; Casey, Colin; Slawin, Alexandra M. Z.; Lebl, Tomas; Bühl, Michael; Zysman-Colman, Eli","Conjugated, rigidified bibenzimidazole ancillary ligands for enhanced photoluminescence quantum yields of orange/red-emitting iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9639","9653","10.1039/c9dt00423h","","","0.71075","MoKα","","0.0247","0.0224","","","0.0573","0.0659","","","","","","1.097","","","","has coordinates","224070","2020-10-21","18:00:00",""
"7049340","24.6354","0.0017","9.6299","0.0006","24.8317","0.0016","90","","96.409","0.005","90","","5854.2","0.7","110","2","110","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C66 H68 Cl2 F Fe N4 P4 -","- C66 H68 Cl2 F Fe N4 P4 -","- C264 H272 Cl8 F4 Fe4 N16 P16 -","4","0.5","","Liao, Qian; Liu, Tianbiao; Johnson, Samantha I.; Klug, Christina M.; Wiedner, Eric S.; Morris Bullock, R.; DuBois, Daniel L.","Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4867","4878","10.1039/c9dt00708c","","","0.71073","MoKα","","0.0614","0.0524","","","0.1368","0.1446","","","","","","1.046","","","","has coordinates","224385","2020-10-21","18:00:00",""
"7049349","30.5087","0.0008","9.8259","0.0002","46.0071","0.0017","90","","97.269","0.003","90","","13681","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34 H34 B2 Fe N6 O6 -","- C34 H34 B2 Fe N6 O6 -","- C544 H544 B32 Fe16 N96 O96 -","16","2","","Bila, José L; Pijeat, Joffrey; Ramorini, Andrea; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Baudat, Emilie; Severin, Kay","Porous networks based on iron(ii) clathrochelate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4582","4588","10.1039/c9dt00546c","","x-ray","1.54184","CuKα","","0.1281","0.117","","","0.3284","0.3377","","","","","","1.067","","","","has coordinates,has disorder","224288","2020-10-21","18:00:00",""
"7049493","17.718","0.004","10.3253","0.0017","28.13","0.007","90","","103.693","0.01","90","","4999.9","1.9","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H33 B Si2 -","- C26 H33 B Si2 -","- C208 H264 B8 Si16 -","8","1","","Bartholome, Tyler A.; Bluer, Kristen R.; Martin, Caleb D.","Successive carbene insertion into 9-phenyl-9-borafluorene.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6319","6322","10.1039/c9dt01032g","","","0.71073","MoKα","","0.0551","0.0406","","","0.0984","0.1066","","","","","","1.056","","","","has coordinates","224185","2020-10-21","18:00:00",""
"7049552","19.3991","0.0004","11.4101","0.0002","31.8762","0.0007","90","","103.192","0.002","90","","6869.5","0.2","135","0.1","135","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H39 N2 O3 Ru S2 -","- C35 H39 N2 O3 Ru S2 -","- C280 H312 N16 O24 Ru8 S16 -","8","1","","Wang, Tao; Xie, Qingxiao; Guo, Weijie; Wu, Shutao; Zhang, Huiqing; Wang, Jianhui; Wu, Botao","A 3,4-dimercapto-3-cyclobutene-1,2-dione-chelated ruthenium carbene catalyst for Z-stereoretentive/stereoselective olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6473","6483","10.1039/c9dt01016e","","x-ray","1.54184","CuKα","","0.0308","0.028","","","0.0705","0.0722","","","","","","1.037","","","","has coordinates","224180","2020-10-21","18:00:00",""
"7049570","15.5684","0.0006","8.9172","0.0005","35.2491","0.0017","90","","100.255","0.004","90","","4815.3","0.4","150","","150","","","","","","","","see text","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H43 B N2 Si2 -","- C19 H43 B N2 Si2 -","- C152 H344 B8 N16 Si16 -","8","1","","Dübek, Gizem; Franz, Daniel; Eisenhut, Carsten; Altmann, Philipp J.; Inoue, Shigeyoshi","Reactivity of an NHC-stabilized pyramidal hydrosilylene with electrophilic boron sources.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5756","5765","10.1039/c9dt00608g","","x-ray","1.54184","CuKα","","0.0844","0.0714","","","0.1743","0.1863","","","","","","1.052","","","","has coordinates,has disorder","224116","2020-10-21","18:00:00",""
"7050079","16.978","0.004","14.283","0.004","73.283","0.01","90","","91.28","0.03","90","","17766","7","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","fac-trichloro-cis-bis(5-(4'pyridyl)-10,15,20-trisphenyl-porphyrin)-nitrosyl- ruthenium(II) chloroform n-hexane solvate","","- C91.5 H67.5 Cl10.5 N11 O Ru -","- C91.5 H67.5 Cl10.5 N11 O Ru -","- C732 H540 Cl84 N88 O8 Ru8 -","8","1","","Gianferrara, Teresa; Serli, Barbara; Zangrando, Ennio; Iengo, Elisabetta; Alessio, Enzo","Pyridylporphyrins peripherally coordinated to ruthenium-nitrosyls, including the water-soluble Na4[Zn·4′TPyP{RuCl4(NO)}4]: synthesis and structural characterization","New Journal of Chemistry","2005","29","7","895","","10.1039/b418855a","","","1","synchrotron","","0.1488","0.113","","","0.2747","0.3129","","","","","","1.176","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050221","19.42","0.002","15.7094","0.0016","20.428","0.004","90","","96.673","0.007","90","","6189.9","1.5","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H13 Cl3 N3 P3 S6 -","- C25 H13 Cl3 N3 P3 S6 -","- C200 H104 Cl24 N24 P24 S48 -","8","1","","Virginie Vicente; Alain Fruchier; Marc Taillefer; Corinne Combes-Chamalet; Ian J. Scowen; Françoise Plénat; Henri-Jean Cristau","Synthesis and structural studies (1H, 13C, 31P NMR and X-ray) of new C-bonded cyclotriphosphazenes with heterocyclic substituents from novel phosphinic acid derivatives","New J. Chem.","2004","28","3","418","424","10.1039/b311046j","","","0.71073","MoKα","","0.122","0.0593","","","0.1099","0.1338","","","","","","0.994","","","","has coordinates,has disorder","180056","2020-10-21","18:00:00",""
"7050281","20.548","0.003","7.194","0.001","24.526","0.005","90","","102.707","0.005","90","","3536.7","1","170","2","170","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","2,4-Diamino-6-phenyl-1,3,5-triazine","2,4-Diamino-6-phenyl-1,3,5-triazine","","- C9 H9 N5 -","- C9 H9 N5 -","- C144 H144 N80 -","16","2","","Antonio de la Hoz; Maria del Carmen Mateo; Angel Diaz-Ortiz; Jose Elguero; Concepcion Foces-Foces; A.Moreno; Ana Sanchez-Migallon; Gema Valiente","Green synthesis and self-association of 2,4-diamino-1,3,5-triazine derivatives","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.1916","0.0962","","","0.1789","0.2188","","","","","","1.086","","","","has coordinates","180056","2020-10-21","18:00:00",""
"7050870","13.078","0.004","9.695","0.003","14.592","0.005","90","","105.74","0.02","90","","1780.8","1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(1,2-bis(4-pyridyl)ethane)-bis(dicyanamide)-manganese(II)","","- C16 H12 Mn N8 -","- C16 H12 Mn N8 -","- C64 H48 Mn4 N32 -","4","0.5","","Dalai, Sudipta; Sarathi Mukherjee, Partha; Zangrando, Ennio; Ray Chaudhuri, Nirmalendu","Synthesis, crystal structure and magnetic properties of two new dicyanamide bridged 2D and 1D complexes of Mn(ii)","New Journal of Chemistry","2002","26","9","1185","","10.1039/b202431b","","","0.71073","mokα","","0.0463","0.0409","","","0.1106","0.1154","","","","","","1.069","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051257","11.6466","0.0003","6.2335","0.0002","12.5573","0.0005","90","","97.612","0.002","90","","903.61","0.05","300","2","300","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","1:1 molecular complex of phenazine and 5,10-dihydrophenazine","","","- C24 H18 N4 -","- C24 H18 N4 -","- C48 H36 N8 -","2","0.25","","Thalladi, Venkat R.; Smolka, Tanja; Gehrke, Annette; Boese, Roland; Sustmann, Reiner","Role of weak hydrogen bonds in the crystal structures of phenazine, 5,10-dihydrophenazine and their 1:1 and 3:1 molecular complexes","New Journal of Chemistry","2000","24","3","143","","10.1039/a908744c","","","0.71073","MoKα","","0.062","0.0564","","","0.1517","0.1579","","","","","","1.104","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051307","31.169","0.0013","5.462","0.0002","19.627","0.0008","90","","102.81","","90","","3258.2","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","1,7,10,16-Tetraoxa-4,13-diazacyclo-octadecane 1,8-diiodoperfluorooctane","","- C20 H26 F16 I2 N2 O4 -","- C20 H26 F16 I2 N2 O4 -","- C80 H104 F64 I8 N8 O16 -","4","0.5","","Navarrini, Walter; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe","Crown ethers as pre-organised exo-receptors in the divergent recognition of α,ω-diiodoperfluoroalkanes","New Journal of Chemistry","2000","24","10","777","","10.1039/b002247k","","","0.71069","MoKα","","0.0572","0.0413","","","0.1153","0.1242","","","","","","1.06","","","","has coordinates,has disorder","180067","2020-10-21","18:00:00",""
"7052478","28.1286","0.0005","12.0327","0.0002","16.7257","0.0003","90","","91.701","0.001","90","","5658.54","0.17","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H30 N4 O4 S2 Zn -","- C28 H30 N4 O4 S2 Zn -","- C224 H240 N32 O32 S16 Zn8 -","8","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0331","0.0269","","","0.0665","0.071","","","","","","1.033","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052501","9.8986","0.0002","31.4972","0.0004","10.9253","0.0004","90","","95.29","0.001","90","","3391.76","0.15","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C18 H36 Cl2 N2 O17 P4 Pb3 -","- C18 H26 Cl2 N2 O17 P4 Pb3 -","- C72 H104 Cl8 N8 O68 P16 Pb12 -","4","0.5","","Sun, Zhong-Ming; Mao, Jiang-Gao; Sun, Yan-Qiong; Zeng, Hui-Yi; Clearfield, Abraham","Hydrothermal synthesis, characterization and crystal structures of two new layered lead(ii) diphosphonates","New Journal of Chemistry","2003","27","9","1326","","10.1039/b302240b","","","0.71073","MoKα","","0.0623","0.0548","","","0.1519","0.1616","","","","","","1.073","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7053861","25.592","0.018","7.825","0.003","26.83","0.002","90","","92.66","0.02","90","","5367","4","295","2","295","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H20 Ag F3 N6 O3 S -","- C27 H20 Ag F3 N6 O3 S -","- C216 H160 Ag8 F24 N48 O24 S8 -","8","1","","Marcinkowski, Damian; Wałęsa-Chorab, Monika; Patroniak, Violetta; Kubicki, Maciej; Kądziołka, Grzegorz; Michalkiewicz, Beata","A new polymeric complex of silver(i) with a hybrid pyrazine‒bipyridine ligand ‒ synthesis, crystal structure and its photocatalytic activity","New Journal of Chemistry","2014","38","2","604","","10.1039/c3nj01187a","","","0.7107","MoKα","","0.1957","0.0804","","","0.1444","0.1831","","","","","","0.917","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7054515","13.7381","0.0009","8.877","0.0004","17.564","0.0009","90","","103.368","0.006","90","","2083.9","0.2","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","o-MPCPA","2-cyano-3-(2-methoxyphenyl)-2-propenamide","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C88 H80 N16 O16 -","8","1","","Song, Qingbao; Wang, Yongsheng; Hu, Chenchen; Zhang, Yujian; Sun, Jingwei; Wang, Kunyan; Zhang, Cheng","Effect of stacking mode on the mechanofluorochromic properties of 3-aryl-2-cyano acrylamide derivatives","New J. Chem.","2015","39","1","659","","10.1039/C4NJ01492H","","","0.71073","MoKα","","0.0672","0.0448","","","0.1034","0.1153","","","","","","1.061","","","","has coordinates","204135","2020-10-21","18:00:00",""
"7054748","12.1978","0.0003","19.2053","0.0005","15.5424","0.0004","90","","96","0.003","90","","3621.05","0.16","100","2","100.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","2-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)phenylboronic acid","","- C18 H23 B N2 O3 -","- C18 H23 B N2 O3 -","- C144 H184 B8 N16 O24 -","8","1","","Adamczyk-Woźniak, Agnieszka; Czerwińska, Karolina; Madura, Izabela D.; Matuszewska, Alicja; Sporzyński, Andrzej; Żubrowska-Zembrzuska, Anna","Piperazine derivatives of boronic acids ‒ potential bifunctional biologically active compounds","New J. Chem.","2015","39","6","4308","","10.1039/C5NJ00084J","","","1.5418","CuKα","","0.0458","0.0392","","","0.102","0.1059","","","","","","1.058","","","","has coordinates","180101","2020-10-21","18:00:00",""
"7054931","5.97","0.001","6.738","0.0012","34.5","0.006","90","","94.68","0.005","90","","1383.2","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H9 K N4 O4 -","- C16 H9 K N4 O4 -","- C64 H36 K4 N16 O16 -","4","0.5","","Calahorro, Antonio J.; Fernández, Belén; García-Gallarín, Celeste; Melguizo, Manuel; Fairen-Jimenez, David; Zaragoza, Guillermo; Salinas-Castillo, Alfonso; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio","Towards a potential 4,4′-(1,2,4,5-tetrazine-3,6-diyl) dibenzoic spacer to construct metal‒organic frameworks","New J. Chem.","2015","39","8","6453","","10.1039/C5NJ00524H","","x-ray","1.54178","CuKα","","0.0474","0.0413","","","0.0972","0.1006","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055023","11.6556","0.0009","14.2528","0.0015","13.4694","0.0012","90","","98.262","0.007","90","","2214.4","0.4","293","2","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H28 Au2 Cu N8 O3 -","- C13 H28 Au2 Cu N8 O3 -","- C52 H112 Au8 Cu4 N32 O12 -","4","0.5","","Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer","Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures","New J. Chem.","2015","39","10","8136","","10.1039/C5NJ01108F","","","0.71073","MoKα","","0.0572","0.0497","","","0.1301","0.1351","","","","","","1.088","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055024","10.895","0.0006","12.6494","0.0006","15.5745","0.0009","90","","101.857","0.005","90","","2100.6","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H26 Au2 N8 O3 Zn -","- C12 H26 Au2 N8 O3 Zn -","- C48 H104 Au8 N32 O12 Zn4 -","4","0.5","","Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer","Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures","New J. Chem.","2015","39","10","8136","","10.1039/C5NJ01108F","","","0.71073","MoKα","","0.0536","0.0363","","","0.082","0.0869","","","","","","0.947","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055025","11.0302","0.0009","13.1045","0.0006","15.5492","0.0011","90","","101.28","0.006","90","","2204.1","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H24 Au2 Cd N8 O3 -","- C12 H24 Au2 Cd N8 O3 -","- C48 H96 Au8 Cd4 N32 O12 -","4","0.5","","Karadağ, Ahmet; Aydın, Ali; Dede, Süreyya; Tekin, Şaban; Yanar, Yusuf; Çadırcı, Bilge Hilal; Soylu, Mustafa Serkan; Andaç, Ömer","Five novel dicyanidoaurate(i)-based complexes exhibiting significant biological activities: synthesis, characterization and three crystal structures","New J. Chem.","2015","39","10","8136","","10.1039/C5NJ01108F","","","0.71073","MoKα","","0.0509","0.0428","","","0.1031","0.1071","","","","","","1.069","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055038","19.0697","0.0004","10.6833","0.0002","18.9974","0.0003","90","","95.766","0.002","90","","3850.71","0.12","89","2","89","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 Cl Cu N3 O6 -","- C18 H22 Cl Cu N3 O6 -","- C144 H176 Cl8 Cu8 N24 O48 -","8","1","","Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise","Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines","New J. Chem.","2015","39","9","7429","","10.1039/C5NJ01318F","","","0.71073","MoKα","","0.0404","0.0382","","","0.1218","0.1244","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055141","16.106","0.005","29.674","0.003","16.658","0.004","90","","90.38","0.005","90","","7961","3","295","2","295","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C26 H22 Cl Co N10 O10 S4 Zn -","- C26 H22 Cl Co N10 O10 S4 Zn -","- C208 H176 Cl8 Co8 N80 O80 S32 Zn8 -","8","1","","Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev","Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications","New J. Chem.","2015","39","12","9772","","10.1039/C5NJ01223F","","","0.71073","MoKα","","0.109","0.0716","","","0.1787","0.2021","","","","","","1.013","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7055339","19.481","0.004","9.905","0.002","26.74","0.005","90","","99.08","0.03","90","","5095.1","1.8","213","2","213","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H74 N12 S2 -","- C52 H74 N12 S2 -","- C208 H296 N48 S8 -","4","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0618","0.0427","","","0.1029","0.1078","","","","","","0.889","","","","has coordinates","185600","2020-10-21","18:00:00",""
"7055341","18.934","0.003","10.294","0.003","31.857","0.005","90","","105.36","0.02","90","","5987","2","180","2","180","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H76 N6 O8 S2 -","- C48 H76 N6 O8 S2 -","- C192 H304 N24 O32 S8 -","4","0.5","","Gressenbuch, Mathias; Lehmann, Ulrike; Kersting, Berthold","Synthesis and structural chemistry of bicyclic hexaaza-dithia macrocycles containing pendant donor groups","New J. Chem.","2016","40","7","5731","","10.1039/C5NJ03197D","","","0.71073","MoKα","","0.0566","0.0458","","","0.1321","0.1387","","","","","","0.792","","","","has coordinates","185600","2020-10-21","18:00:00",""
"7055547","20.6123","0.0006","22.6218","0.0006","25.5409","0.0007","90","","105.389","0.003","90","","11482.4","0.6","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C63 H47 Cl2 F6 P3 Ru -","- C63 H47 Cl2 F6 P3 Ru -","- C504 H376 Cl16 F48 P24 Ru8 -","8","1","","Spörler, Susanne; Strinitz, Frank; Rodehutskors, Philipp; Müller, Lisa; Waterloo, Andreas R.; Dürr, Maximilian; Hübner, Eike; Ivanović-Burmazović, Ivana; Tykwinski, Rik R.; Burzlaff, Nicolai","Carbon-rich cyclopentadienyl ruthenium allenylidene complexes","New J. Chem.","2016","40","7","6127","","10.1039/C5NJ03556B","","x-ray","0.71073","MoKα","","0.0513","0.0437","","","0.1249","0.1298","","","","","","1.057","","","","has coordinates","185586","2020-10-21","18:00:00",""
"7055696","16.0589","0.0003","15.5077","0.0003","18.1719","0.0007","90","","95.27","0.002","90","","4506.3","0.2","130","1","130","1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C46 H36 Ag2 F6 N8 O6 S2 -","- C46 H36 Ag2 F6 N8 O6 S2 -","- C184 H144 Ag8 F24 N32 O24 S8 -","4","0.5","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","","1.54184","CuKα","","0.0543","0.0531","","","0.1469","0.1481","","","","","","1.277","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055697","12.5733","0.0004","23.2638","0.0006","16.2128","0.0005","90","","96.624","0.003","90","","4710.6","0.2","100","1","100","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H36 Ag2 F12 N8 P2 -","- C44 H36 Ag2 F12 N8 P2 -","- C176 H144 Ag8 F48 N32 P8 -","4","0.5","","Adamski, Ariel; Fik, Marta A.; Kubicki, Maciej; Hnatejko, Zbigniew; Gurda, Dorota; Fedoruk-Wyszomirska, Agnieszka; Wyszko, Eliza; Kruszka, Dariusz; Dutkiewicz, Zbigniew; Patroniak, Violetta","Full characterization and cytotoxic activity of new silver(i) and copper(i) helicates with quaterpyridine","New J. Chem.","2016","40","9","7943","","10.1039/C5NJ03601A","","x-ray","0.71073","MoKα","","0.0372","0.0319","","","0.0895","0.0927","","","","","","1.095","","","","has coordinates,has disorder","186468","2020-10-21","18:00:00",""
"7055793","14.4864","0.0009","17.4311","0.0013","16.5711","0.0016","90","","104.72","0.003","90","","4047.1","0.6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ti1","","- C36 H50 N2 O4 Ti -","- C36 H50 N2 O4 Ti -","- C144 H200 N8 O16 Ti4 -","4","0.5","","Mandal, Mrinmay; Monkowius, Uwe; Chakraborty, Debashis","Synthesis and structural characterization of titanium and zirconium complexes containing half-salen ligands as catalysts for polymerization reactions","New J. Chem.","2016","","","","","10.1039/C6NJ02148D","","","0.71073","MoKα","","0.0626","0.0451","","","0.1357","0.1426","","","","","","1.103","","","","has coordinates","186873","2020-10-21","18:00:00",""
"7055992","22.5443","0.0001","12.9305","0.0001","25.5225","0.0001","90","","93.527","0.003","90","","7425.95","0.08","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H58 Al Cl N2 O2 -","- C38 H58 Al Cl N2 O2 -","- C304 H464 Al8 Cl8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0385","0.0377","","","0.0967","0.0974","","","","","","1.021","","","","has coordinates,has disorder","193874","2020-10-21","18:00:00",""
"7055993","22.4184","0.0001","12.9111","0.0001","25.8038","0.0001","90","","93.354","0.001","90","","7456.02","0.07","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H58 Cl Ga N2 O2 -","- C38 H58 Cl Ga N2 O2 -","- C304 H464 Cl8 Ga8 N16 O16 -","8","1","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0297","0.029","","","0.0773","0.0779","","","","","","1.021","","","","has coordinates","193874","2020-10-21","18:00:00",""
"7055999","17.9334","0.0003","16.6462","0.0002","32.2729","0.0003","90","","99.172","0.001","90","","9511","0.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C93 H157 In2 N4 O6 -","- C93 H157 In2 N4 O6 -","- C372 H628 In8 N16 O24 -","4","0.5","","Beament, James; Mahon, Mary F.; Buchard, Antoine; Jones, Matthew D.","Salan group 13 complexes ‒ structural study and lactide polymerisation","New J. Chem.","2017","41","5","2198","","10.1039/C6NJ03844A","","","1.54184","CuKα","","0.0435","0.0383","","","0.1091","0.114","","","","","","1.04","","","","has coordinates,has disorder","193874","2020-10-21","18:00:00",""
"7056009","16.5056","0.0003","8.5024","0.00019","24.0812","0.0005","90","","93.366","0.0016","90","","3373.66","0.12","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H32 Cu2 N6 O6 -","- C40 H32 Cu2 N6 O6 -","- C160 H128 Cu8 N24 O24 -","4","0.5","","Cindrić, Marina; Bjelopetrović, Alen; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Matković-Čalogović, Dubravka; Vrdoljak, Višnja","Copper(ii) complexes with benzhydrazone-related ligands: synthesis, structural studies and cytotoxicity assay","New J. Chem.","2017","41","6","2425","","10.1039/C6NJ03827A","","","0.71073","MoKα","","0.0611","0.0405","","","0.0903","0.0991","","","","","","1.013","","","","has coordinates","195148","2020-10-21","18:00:00",""
"7056299","14.2239","0.0004","14.4704","0.0004","20.2197","0.0006","90","","103.441","0.003","90","","4047.7","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H22 Cl4 Mn2 N4 O9 -","- C38 H22 Cl4 Mn2 N4 O9 -","- C152 H88 Cl16 Mn8 N16 O36 -","4","0.5","","Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel","Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers","New J. Chem.","2017","","","","","10.1039/C7NJ01058C","","","1.54184","CuKα","","0.064","0.0551","","","","0.1739","","","","","","1.021","","","","has coordinates","197639","2020-10-21","18:00:00",""
"7056303","19.6402","0.0013","8.4523","0.0005","21.958","0.003","90","","93.816","0.01","90","","3637.1","0.6","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H44 Mn2 N6 O16 -","- C30 H44 Mn2 N6 O16 -","- C120 H176 Mn8 N24 O64 -","4","0.5","","Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.","Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes","New J. Chem.","2017","","","","","10.1039/C7NJ01845B","","","0.71075","MoKα","","0.089","0.0625","","","0.0844","0.0916","","","","","","1.069","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056341","12.994","0.0005","10.8427","0.0003","12.8458","0.0005","90","","119.421","0.005","90","","1576.44","0.12","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C3 H6 N7 Na O2 -","- C3 H6 N7 Na O2 -","- C24 H48 N56 Na8 O16 -","8","1","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","","","","","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.0296","0.028","","","0.0748","0.0761","","","","","","1.051","","","","has coordinates","197840","2020-10-21","18:00:00",""
"7056746","17.155","0.018","8.049","0.005","18.643","0.011","90","","92.815","0.009","90","","2571","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C11 H7 Cl4 N O2 -","- C11 H7 Cl4 N O2 -","- C88 H56 Cl32 N8 O16 -","8","1","","Bakewell, Nicholas Owen; Thavarajah, Rumintha; Motevalli, Majid; Sheriff, Tippu S.","Nucleophile and Base Differentiation of Pyridine in Reaction with Tetrahalocatechols and the Formation of Manganese(III)-Catecholate and Pyridinium-Catecholate Complexes for the in situ Generation of Hydrogen Peroxide from Dioxygen","New Journal of Chemistry","2017","","","","","10.1039/C7NJ02725G","","","0.71073","MoKα","","0.045","0.031","","","0.0777","0.0846","","","","","","1.028","","","","has coordinates","203142","2020-10-21","18:00:00",""
"7057367","18.709","0.003","7.8316","0.0012","21.501","0.006","90","","90.945","0.004","90","","3149.9","1.1","296","2","296","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","3-tert-Butyl-7-cyano-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl","","- C18 H17 N4 -","- C18 H17 N4 -","- C144 H136 N32 -","8","1","","Takahashi, Yusuke; Tsuchiya, Naoya; Miura, Youhei; Yoshioka, Naoki","Magneto-structural correlation of cyano-substituted 3-tert-butyl-1-phenyl-1,2,4-benzotriazin-4-yl: spin transition behaviour observed in a 6-cyano derivative","New Journal of Chemistry","2018","42","12","9949","","10.1039/C7NJ04534D","","","0.71073","MoKα","","0.1153","0.0702","","","0.1891","0.219","","","","","","1.38","","","","has coordinates","230549","2020-10-21","18:00:00",""
"7057368","26.317","0.004","6.7524","0.0007","18.003","0.002","90","","90.578","0.003","90","","3199","0.7","300","2","300","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","3-tert-Butyl-6-cyano-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl","","- C18 H17 N4 -","- C18 H17 N4 -","- C144 H136 N32 -","8","1","","Takahashi, Yusuke; Tsuchiya, Naoya; Miura, Youhei; Yoshioka, Naoki","Magneto-structural correlation of cyano-substituted 3-tert-butyl-1-phenyl-1,2,4-benzotriazin-4-yl: spin transition behaviour observed in a 6-cyano derivative","New Journal of Chemistry","2018","42","12","9949","","10.1039/C7NJ04534D","","","0.71073","MoKα","","0.0901","0.0712","","","0.216","0.237","","","","","","1.396","","","","has coordinates","230549","2020-10-21","18:00:00",""
"7057406","19.627","0.002","14.7493","0.0017","29.848","0.003","90","","101.629","0.006","90","","8463.2","1.6","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C47 H60 O5 -","- C47 H60 O5 -","- C376 H480 O40 -","8","1","","An, Lin; Wang, Jia-wei; Wang, Chan; Zhou, Shan-shan; Sun, Jing; Yan, Chao-Guo","2,3-Ethylene-bridged dihomooxacalix[4]arenes: synthesis, X-ray crystal structures and highly selective binding properties with anions","New Journal of Chemistry","2018","42","13","10689","","10.1039/C8NJ01284A","","","0.71073","MoKα","","0.2013","0.1921","","","0.4044","0.409","","","","","","1.08","","","","has coordinates,has disorder","230388","2020-10-21","18:00:00",""
"7057464","18.501","0.003","11.0747","0.001","19.1103","0.0018","90","","91.537","0.001","90","","3914.2","0.8","296","2","296.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H19 B N2 Se -","- C24 H19 B N2 Se -","- C192 H152 B8 N16 Se8 -","8","1","","Lee, Jiwon; Lee, Lucia Myongwon; Arnott, Zachary; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Sigma-hole interactions in the molecular and crystal structures of N-boryl benzo-2,1,3-selenadiazoles","New Journal of Chemistry","2018","42","13","10555","","10.1039/C8NJ00553B","","","0.71073","MoKα","","0.0371","0.0263","","","0.0633","0.0676","","","","","","1.027","","","","has coordinates","230387","2020-10-21","18:00:00",""
"7057601","18.0383","0.0006","6.8439","0.0002","23.7518","0.0008","90","","100.353","0.002","90","","2884.48","0.16","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H38 Br Mn N4 O6 -","- C26 H38 Br Mn N4 O6 -","- C104 H152 Br4 Mn4 N16 O24 -","4","0.5","","Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis","Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho‒ester bond hydrolysis","New Journal of Chemistry","2018","42","18","14933","","10.1039/C8NJ02634C","","","0.71073","MoKα","","0.0286","0.0241","","","0.0625","0.0651","","","","","","1.036","","","","has coordinates","230478","2020-10-21","18:00:00",""
"7057654","15.239","0.016","7.25","0.007","18.806","0.019","90","","96.75","0.11","90","","2063","4","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","CV","","- C16 H28 N2 O10 -","- C16 H28 N2 O10 -","- C64 H112 N8 O40 -","4","0.5","","Guo, Pei-Yu; Sun, Cai; Zhang, Ning-Ning; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong","Improving coloration time and moisture stability of photochromic viologen‒carboxylate zwitterions","New Journal of Chemistry","2018","42","18","15466","","10.1039/C8NJ02326C","","","0.71073","MoKα","","0.125","0.0659","","","0.1606","0.1832","","","","","","0.854","","","","has coordinates","230479","2020-10-21","18:00:00",""
"7058072","10.668","0.005","29.772","0.005","15.94","0.005","90","0.005","98.866","0.005","90","0.005","5002","3","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H18 Co O10 -","- C34 H18 Co O10 -","- C136 H72 Co4 O40 -","4","0.5","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of a 3D porous Co(ii) metal‒organic framework (MOF) with Lewis acidic metal sites exhibiting selective CO2 capture and conversion under mild conditions","New Journal of Chemistry","2019","43","5","2163","","10.1039/C8NJ04947E","","","0.71073","MoKα","","0.1796","0.0851","","","0.2197","0.2512","","","","","","0.989","","","","has coordinates","224771","2020-10-21","18:00:00",""
"7058281","17.105","0.0005","7.0549","0.0002","30.0023","0.0009","90","","91.318","0.002","90","","3619.54","0.18","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H42 N2 O8 Sn -","- C38 H42 N2 O8 Sn -","- C152 H168 N8 O32 Sn4 -","4","0.5","","Vinayak, Richa; Nayek, Hari Pada","Organotin metalloligands for selective sensing of metal ions","New Journal of Chemistry","2019","43","19","7259","","10.1039/C9NJ00944B","","","0.71073","MoKα","","0.0309","0.0256","","","0.063","0.0654","","","","","","1.078","","","","has coordinates","224833","2020-10-21","18:00:00",""
"7058686","12.166","0.004","17.6501","0.001","14.104","0.007","90","","114.646","0.011","90","","2752.7","1.7","295","2","295","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H20 Mn N2 O8 -","- C34 H20 Mn N2 O8 -","- C136 H80 Mn4 N8 O32 -","4","0.5","","Fan, Liming; Liu, Zhangjie; Zhang, Yujuan; Wang, Feng; Zhao, Dongsheng; Yang, Jiandong; Zhang, Xiutang","Luminescence sensing, electrochemical, and magenetic properties of 2D coordination polymers based on the mixed ligands p-terphenyl-2,2′′,5′′,5′′′-tetracarboxylate acid and 1,10-phenanthroline","New Journal of Chemistry","2019","43","34","13349","","10.1039/C9NJ03530C","","","0.71073","MoKα","","0.0991","0.0658","","","0.1619","0.1846","","","","","","1.044","","","","has coordinates,has disorder","224962","2020-10-21","18:00:00",""
"7058783","13.244","0.005","20.552","0.005","25.657","0.005","90","","94.232","0.013","90","","6965","3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C58 H72 N28 O12 -","- C58 H72 N28 O12 -","- C232 H288 N112 O48 -","4","0.5","","Xiao, Zhiyou; Zhou, Yang; Xu, Weitao; Prior, Timothy J.; Bian, Bing; Redshaw, Carl; Tao, Zhu; Xiao, Xin","Study of the host‒guest interaction between N,N′-bis[4-(dimethylaminophenyl)methyl]butane-1,4-diamine and the cucuribit[n]urils (n = 6, 7)","New Journal of Chemistry","2019","43","37","14938","","10.1039/C9NJ03254A","","","0.71073","MoKα","","0.1058","0.065","","","0.1784","0.1983","","","","","","1.064","","","","has coordinates","224697","2020-10-21","18:00:00",""
"7058882","11.5747","0.0003","28.8162","0.0006","14.7781","0.0003","90","","99.269","0.002","90","","4864.71","0.19","303.1","0.8","303.1","0.8","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C41 H62 Au Br2 F3 N4 O5 P2 S -","- C41 H62 Au Br2 F3 N4 O5 P2 S -","- C164 H248 Au4 Br8 F12 N16 O20 P8 S4 -","4","0.5","","Branzi, Lorenzo; Baron, Marco; Armelao, Lidia; Rancan, Marzio; Sgarbossa, Paolo; Graiff, Claudia; Pöthig, Alexander; Biffis, Andrea","Coordination chemistry of gold with N-Phosphine Oxide-Substituted Imidazolylidenes (POxIms)","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04911H","","x-ray","0.71073","MoKα","","0.0303","0.0281","","","0.0781","0.0799","","","","","","1.036","","","","has coordinates,has disorder","219236","2020-10-21","18:00:00",""
"7058957","24.542","0.014","7.437","0.004","27.588","0.012","90","","109.69","0.04","90","","4741","4","100","","100","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C29 H19 B F N3 O2 S2 -","- C29 H19 B F N3 O2 S2 -","- C232 H152 B8 F8 N24 O16 S16 -","8","1","","Kubo, Yuji; Shimada, Takuma; Maeda, Kentaro; Hashimoto, Yuta","Thieno[1,3,2]oxazaborinine-containing aza-BODIPYs with near infrared absorption bands: synthesis, photophysical properties, and device applications","New Journal of Chemistry","2020","44","1","29","37","10.1039/C9NJ04612G","","","0.71075","MoKα","","0.0795","0.0577","","","0.1099","0.1195","","","","","","1.087","","","","has coordinates","257692","2020-10-21","18:00:00",""
"7059261","11.0164","0.0009","9.539","0.0009","27.584","0.002","90","","92.035","0.008","90","","2896.8","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H30 N6 O6 V -","- C32 H30 N6 O6 V -","- C128 H120 N24 O24 V4 -","4","0.5","","Biswas, Nirmalendu; Bera, Sachinath; Sepay, Nayim; Pal, Amrita; Halder, Tanmoy; Ray, Sudipta; Acharyya, Swarnali; Biswas, Anup Kumar; Drew, Michael G. B.; Ghosh, Tapas","Simultaneous formation of non-oxidovanadium(iv) and oxidovanadium(v) complexes incorporating phenol-based hydrazone ligands in aerobic conditions","New Journal of Chemistry","2020","44","9","3700","3716","10.1039/C9NJ06114B","","","0.71073","MoKα","","0.1716","0.1015","","","0.1211","0.143","","","","","","1.06","","","","has coordinates","257823","2020-10-21","18:00:00",""
"7059265","19.7878","0.0014","5.0588","0.0004","27.336","0.002","90","","93.9416","0.001","90","","2729.9","0.4","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(14A)","(2-iodo-5-methoxybiphenyl-3-yl)boronic acid","","- C13 H12 B I O3 -","- C13 H12 B I O3 -","- C104 H96 B8 I8 O24 -","8","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert","Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation","New Journal of Chemistry","2020","44","9","3612","3623","10.1039/C9NJ05708K","","","0.71073","MoKα","","0.0333","0.0264","","","0.0592","0.0625","","","","","","1.033","","","","has coordinates","257818","2020-10-21","18:00:00",""
"7059467","25.92","0.003","5.4308","0.0006","18.988","0.002","90","","103.173","0.013","90","","2602.5","0.5","295","","295","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","1","","Surya Prakash Rao, H.; Padder, Ashiq Hussain","Blaise reaction: synthesis, skeletal diversification of C(4) substituted 5-ylidenepyrrol-(5H)-ones and the role of the strategically located ester on the reactivity of the nitriles","New Journal of Chemistry","2020","44","21","9010","9017","10.1039/D0NJ00231C","","","0.71073","MoKα","","0.1071","0.0615","","","0.1544","0.1904","","","","","","1.046","","","","has coordinates","257874","2020-10-21","18:00:00",""
"7059557","15.8426","0.0017","7.9016","0.0006","13.7208","0.0014","90","","90.146","0.009","90","","1717.6","0.3","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H12 I2 O4 -","- C16 H12 I2 O4 -","- C64 H48 I8 O16 -","4","0.5","","Norouzi, Fataneh; Khavasi, Hamid Reza","Iodine decorated-UiO-67 MOF as a fluorescent sensor for the detection of halogenated aromatic hydrocarbons","New Journal of Chemistry","2020","44","21","8937","8943","10.1039/D0NJ01149E","","","0.71073","MoKα","","0.0678","0.042","","","0.1068","0.1363","","","","","","1.005","","","","has coordinates","257866","2020-10-21","18:00:00",""
"7059635","19.4926","0.0007","9.8565","0.0004","25.4939","0.0011","90","","102.68","0.004","90","","4778.7","0.3","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H34 I N3 Si -","- C23 H34 I N3 Si -","- C184 H272 I8 N24 Si8 -","8","1","","Dimitrijevs, Pavels; Domracheva, Ilona; Arsenyan, Pavel","Improved method for the preparation of nonyl acridine orange analogues and utilization in detection of cardiolipin","New Journal of Chemistry","2020","44","23","9626","9633","10.1039/D0NJ02116D","","x-ray","0.71073","MoKα","","0.0563","0.0345","","","0.0886","0.105","","","","","","1.116","","","","has coordinates","257856","2020-10-21","18:00:00",""
"7059778","8.0075","0.0011","17.5214","0.0017","27.658","0.004","90","","94.252","0.011","90","","3869.8","0.9","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40.67 H38 Br2 N3 O6.67 -","- C40.6664 H37.9868 Br2 N3 O6.6666 -","- C162.666 H151.947 Br8 N12 O26.6664 -","4","0.5","","David, Sylvain; Pilet, Guillaume; Berginc, Gérard; Andraud, Chantal; Maury, Olivier","Poly-halogenated aza-bodipy dyes with improved solubility as a versatile synthetic platform for the design of photonic materials","New Journal of Chemistry","2020","44","30","13125","13130","10.1039/D0NJ02631J","","","0.71069","MoKα","","0.0616","0.0616","","0.0917","0.0917","0.0902","","","","","","1.3822","","","","has coordinates","257826","2020-10-21","18:00:00",""
"7059791","14.9746","0.0003","14.4363","0.0002","26.1448","0.0004","90","","96.359","0.002","90","","5617.15","0.16","117","20","117","20","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C17 H26 Fe N2 Ni O5 S2 -","- C17 H26 Fe N2 Ni O5 S2 -","- C136 H208 Fe8 N16 Ni8 O40 S16 -","8","1","","Song, Li-Cheng; Chen, Wei; Feng, Li","Two heterodinuclear NiFe-based sulfenate complexes mimicking an S-oxygenated intermediate of an O2-tolerant [NiFe]-H2ase: synthesis, structures, and reactivity","New Journal of Chemistry","2020","44","33","14015","14023","10.1039/D0NJ02586K","","","0.71073","MoKα","","0.0413","0.0326","","","0.0778","0.0831","","","","","","1.044","","","","has coordinates","257705","2020-10-21","18:00:00",""
"7059917","18.2621","0.0005","14.8485","0.0004","24.879","0.0009","90","","90.576","0.003","90","","6746","0.4","295","1","295","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C58 H99 N6 O10.5 P2 -","- C58 H99 N6 O10.5 P2 -","- C232 H396 N24 O42 P8 -","4","0.5","","Grgurić, Toni; Cetina, Mario; Petroselli, Manuel; Bacchiocchi, Corrado; Dzolić, Zoran; Cametti, Massimo","Anion binding with biphenyl-bis-urea derivatives: solution and solid-state studies","New Journal of Chemistry","2020","44","38","16294","16301","10.1039/D0NJ03670F","","x-ray","1.54184","CuKα","","0.1115","0.1039","","","0.3457","0.3711","","","","","","1.59","","","","has coordinates,has disorder","258941","2020-11-06","12:52:22",""
"7059931","16.3125","0.0006","8.4276","0.0003","27.2914","0.001","90","","105.355","0.004","90","","3618","0.2","290","","290","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H16 N4 O2 -","- C21 H16 N4 O2 -","- C168 H128 N32 O16 -","8","1","","Todorov, Petar; Georgieva, Stela; Peneva, Petia; Rusew, Rusi; Shivachev, Boris; Georgiev, Anton","Experimental and theoretical study of bidirectional photoswitching behavior of 5,5′-diphenylhydantoin Schiff bases: synthesis, crystal structure and kinetic approaches","New Journal of Chemistry","2020","44","35","15081","15099","10.1039/D0NJ03301D","","x-ray","0.71073","MoKα","","0.0764","0.0482","","","0.1154","0.132","","","","","","1.077","","","","has coordinates","258926","2020-11-06","12:49:08",""
"7059995","15.3323","0.0017","13.626","0.0006","26.3724","0.0013","90","","99.996","0.005","90","","5426","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C25 H20 N5 O8 Zn1.5 -","- C25 H20 N5 O8 Zn1.5 -","- C200 H160 N40 O64 Zn12 -","8","1","","Zhou, Chuan-Cong; Yan, Hui; Liu, Hou-Ting; Li, Rong-Yun; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivity studies on five isostructural MOFs with different acidity induced by metal cations","New Journal of Chemistry","2020","44","41","17821","17830","10.1039/D0NJ04179C","","","1.54184","CuKα","","0.0568","0.049","","","0.1265","0.1357","","","","","","1.069","","","","has coordinates","258897","2020-11-06","12:43:26",""
"7060286","21.8025","0.001","22.095","0.001","48.236","0.002","90","","90.174","0.004","90","","23236.4","1.8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C122.5 H109 Cu2 N10 O18 S8 -","- C120 H104 Cu2 N8 O16 S8 -","- C960 H832 Cu16 N64 O128 S64 -","8","1","","Wang, Fei-Fei; Li, Jia-Hui; Liu, Hai-Yan; Deng, Shu-Ping; Liu, Ying-Ying; Ma, Jian-Fang","Functionalized resorcin[4]arene-based coordination polymers as heterogeneous catalysts for click reactions","New Journal of Chemistry","2021","45","6","3181","3187","10.1039/D0NJ06051H","","","0.71073","MoKα","","0.2104","0.0782","","","0.1786","0.2484","","","","","","0.933","","","","has coordinates","262691","2021-03-05","02:19:32",""
"7060423","21.3768","0.0007","11.2447","0.0003","30.5394","0.0014","90","","105.3","0.004","90","","7080.7","0.5","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C68 H78 N16 Ni5 O12 -","- C68 H78 N16 Ni5 O12 -","- C272 H312 N64 Ni20 O48 -","4","0.5","","Richa,; Rathnam, Muni; Kumar, Akhilesh; Verma, Indresh; Kłak, Julia; Cano, Joan; Mota, Antonio J.; Rajput, Amit; Arora, Himanshu","Discrete unusual mixed-bridged trinuclear CoIII2CoII and pentanuclear NiII coordination complexes supported by a phenolate-based ligand: theoretical and experimental magneto-structural study","New Journal of Chemistry","2021","45","13","6053","6066","10.1039/D1NJ00228G","","","0.71073","MoKα","","0.0439","0.0347","","","0.0828","0.0884","","","","","","1.075","","","","has coordinates","264922","2021-05-05","08:55:05",""
"7060575","22.1869","0.0013","11.1524","0.0004","26.3773","0.0016","90","","101.554","0.005","90","","6394.5","0.6","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H32 F Fe N3 O -","- C42 H32 F Fe N3 O -","- C336 H256 F8 Fe8 N24 O8 -","8","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.1051","0.0469","","","0.0972","0.1147","","","","","","0.93","","","","has coordinates","266137","2021-06-05","19:20:47",""
"7060622","21.6878","0.0012","6.4701","0.0005","24.9341","0.0013","90","","104.209","0.004","90","","3391.8","0.4","127","2","127","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","dichlorato tetrakis(1-cyclopentyl)tetrazole copper(II)","dichlorato tetrakis(1-cyclopentyl)tetrazole copper(II)","","- C24 H40 Cl2 Cu N16 O6 -","- C24 H40 Cl2 Cu N16 O6 -","- C96 H160 Cl8 Cu4 N64 O24 -","4","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0354","0.0304","","","0.0753","0.0794","","","","","","1.057","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060724","24.279","0.003","13.6963","0.0009","19.1934","0.0011","90","","97.378","0.008","90","","6329.6","1","149.99","0.1","149.99","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H28 Cl N O8 -","- C35 H28 Cl N O8 -","- C280 H224 Cl8 N8 O64 -","8","1","","Zhou, Wei; Li, Zheng; Tian, You-Ping; Han, Xiao-Xue; Liu, Xiong-Li","Chromone‒indanedione reactant: a bifunctional 3C synthon for diastereoselective construction of skeleton-diversified bispiro-[chromanocyclopentane-oxindole-indanedione]","New Journal of Chemistry","2021","45","28","12356","12361","10.1039/D1NJ02257A","","x-ray","1.54184","CuKα","","0.1089","0.0926","","","0.2966","0.3112","","","","","","1.081","","","","has coordinates","268846","2021-09-06","11:59:16",""
"7061336","9.6201","0.0006","23.1763","0.0018","11.8397","0.0011","90","","99.147","0.007","90","","2606.2","0.4","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H28 Cu2 N4 O6 -","- C26 H28 Cu2 N4 O6 -","- C104 H112 Cu8 N16 O24 -","4","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","0.71073","MoKα","","0.0993","0.0571","","","0.1049","0.1214","","","","","","1.031","","","","has coordinates","275032","2022-05-05","20:47:15",""
"7061342","13.8822","0.0004","8.3669","0.0002","18.7238","0.0005","90","","111.589","0.003","90","","2022.22","0.1","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 Cu N3 O5 -","- C23 H21 Cu N3 O5 -","- C92 H84 Cu4 N12 O20 -","4","0.5","","Podjed, Nina; Modec, Barbara; Clérac, Rodolphe; Rouzières, Mathieu; Alcaide, María M.; López-Serrano, Joaquín","Structural diversity and magnetic properties of copper(ii) quinaldinate compounds with amino alcohols","New Journal of Chemistry","2022","46","15","6899","6920","10.1039/D2NJ00296E","","x-ray","1.54184","CuKα","","0.033","0.0322","","","0.0896","0.0904","","","","","","1.077","","","","has coordinates,has disorder","275032","2022-05-05","20:47:15",""
"7061676","18.8299","0.0003","11.579","0.0002","20.3542","0.0004","90","","102.325","0.002","90","","4335.57","0.14","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C14 H36 O3.5 P2 Rh Si -","- C14 H36 O3.5 P2 Rh Si -","- C112 H288 O28 P16 Rh8 Si8 -","8","1","","Ishizaka, Yusuke; Matsumoto, Kazuhiro; Sato, Kazuhiko; Choi, Jun-Chul","Multinuclear rhodium complexes supported by tetra-tert-butoxy disiloxide ligand: synthesis, structure, and reactivity","New Journal of Chemistry","2022","46","33","16040","16046","10.1039/D2NJ03095K","","","0.71073","MoKα","","0.0162","0.0155","","","0.0381","0.0384","","","","","","1.09","","","","has coordinates","277671","2022-09-06","10:12:28",""
"7061868","26.2711","0.0013","7.5096","0.0003","20.5122","0.0011","90","","108.674","0.006","90","","3833.7","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C21 H18 N2 O S2 -","- C21 H18 N2 O S2 -","- C168 H144 N16 O8 S16 -","8","1","","Al-Noaimi, Mousa; Awwadi, Firas F.; Hendal, Abdellah; Aljammal, Azzam; Talib, Wamidh H.; Mahmod, Asma Ismail","Effect of chalcogen bonding interactions on molecular structures; theoretical and crystallographic studies on two palladium(ii) acetate complexes","New Journal of Chemistry","2022","46","38","18551","18562","10.1039/D2NJ01995G","","x-ray","0.71073","MoKα","","0.0577","0.0389","","","0.092","0.0998","","","","","","1.042","","","","has coordinates","278473","2022-10-07","01:16:53",""
"7061949","16.1256","0.0019","7.6341","0.0009","22.805","0.003","90","","92.034","0.008","90","","2805.6","0.6","138","","138","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H20 N8 O9 S Zn2 -","- C28 H20 N8 O9 S Zn2 -","- C112 H80 N32 O36 S4 Zn8 -","4","0.5","","Wang, Jin-Jin; Li, Le-Qian; Zhu, Zi-Hao; Zheng, Teng-Fei; Xu, Hui; Peng, Yan; Chen, Jing-Lin; Liu, Sui-Jun; Wen, He-Rui","Facile fabrication and luminescence properties of a new ZnII coordination polymer-based fluorescent sensor toward antibiotics","New Journal of Chemistry","2022","46","43","20623","20628","10.1039/D2NJ03797A","","","0.71073","MoKα","","0.0374","0.0296","","","0.0713","0.0765","","","","","","1.0787","","","","has coordinates,has disorder","280184","2023-01-06","09:51:18",""
"7062011","18.5957","0.0003","11.1708","0.0002","18.5559","0.0003","90","","97.671","0.002","90","","3820.1","0.11","298","2","298","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C23 H20 O4 -","- C23 H20 O4 -","- C184 H160 O32 -","8","1","","Dhotare, Bhaskar B.; Kumar, Sahil; Wadawale, Amey; Nayak, Sandip K.; Kumar, Mukesh; Goswami, Dibakar","A metal-free approach to highly functionalized 3-substituted-3-arylbenzofuran-2(3H)-ones","New Journal of Chemistry","2022","46","45","21906","21910","10.1039/D2NJ03404B","","x-ray","1.54184","CuKα","","0.0907","0.0466","","","0.1385","0.1909","","","","","","1.198","","","","has coordinates","280213","2023-01-06","09:57:37",""
"7062102","16.8851","0.0009","15.2488","0.0006","21.6499","0.0009","90","","95.594","0.005","90","","5547.8","0.4","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 N4 O4 Zn -","- C32 H28 N4 O4 Zn -","- C256 H224 N32 O32 Zn8 -","8","1","","Podjed, Nina; Modec, Barbara","Amidines from cyclic amines and nitriles in the presence of zinc(ii): other nitriles in place of acetonitrile","New Journal of Chemistry","2022","46","48","23225","23238","10.1039/D2NJ04668G","","x-ray","0.71073","MoKα","","0.0859","0.0442","","","0.0848","0.0987","","","","","","0.976","","","","has coordinates","280205","2023-01-06","09:55:21",""
"7062317","18.62","0.003","5.4988","0.0008","30.636","0.004","90","","96.337","0.008","90","","3117.6","0.8","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C13 H14 Cl N3 O4 S -","- C13 H14 Cl N3 O4 S -","- C104 H112 Cl8 N24 O32 S8 -","8","1","","Brahma, Rinki; Baruah, Jubaraj Bikash","Assemblies of salts of urea and thiourea derivatives and release of hosts from composites with calcium oxide","New Journal of Chemistry","2023","47","13","6211","6223","10.1039/D2NJ05412D","","","0.71073","MoKα","","0.1098","0.081","","","0.1397","0.1649","","","","","","1.038","","","","has coordinates","283395","2023-05-05","02:58:24",""
"7062673","25.0203","0.0009","22.6402","0.0006","27.641","0.0011","90","","105.685","0.003","90","","15074.6","0.9","153","2","153","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C72 H104 Al3 Cl N9 O13 -","- C72 H104 Al3 Cl N9 O13 -","- C576 H832 Al24 Cl8 N72 O104 -","8","1","","Schumann, Erik; Böhme, Uwe; Brendler, Erica; Mertens, Florian","Syntheses and ligand exchange experiments of N,N-dialkylcarbamate bridged {Al3(μ3-O)}7+ complexes","New Journal of Chemistry","2023","47","36","16981","16992","10.1039/D3NJ02389C","","","0.71073","MoKα","","0.0831","0.0574","","","0.1373","0.1582","","","","","","1.036","","","","has coordinates,has disorder","286773","2023-10-06","00:31:41",""
"7062717","15.8449","0.0006","10.4597","0.0004","34.0306","0.0013","90","","95.784","0.004","90","","5611.3","0.4","200","0.1","200","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H17 F7 Ir N7 -","- C30 H17 F7 Ir N7 -","- C240 H136 F56 Ir8 N56 -","8","1","","Gu, Li; Li, Shuaibing; Han, Huabo; Wang, Xinzhong; Zhou, Changjiang; Lu, Junjian; Zhou, Liang; Lu, Guangzhao","Asymmetric [Ir(C1^N1)(C2^N2)(L^X)]-tris-heteroleptic iridium(iii) complexes enable deep blue phosphorescent emission","New Journal of Chemistry","2023","47","40","18603","18609","10.1039/D3NJ03513A","","x-ray","0.71073","MoKα","","0.0532","0.0365","","","0.0615","0.0675","","","","","","1.015","","","","has coordinates","287397","2023-11-06","08:04:37",""
"7063196","16.504","0.0005","16.1848","0.0003","18.6771","0.0005","90","","116.071","0.003","90","","4481.3","0.2","150","2","149.9","0.7","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C40 H52 Co F6 N2 P3 S4 -","- C40 H52 Co F6 N2 P3 S4 -","- C160 H208 Co4 F24 N8 P12 S16 -","4","0.5","","Srivastava, Devyani; Kushwaha, Aparna; Sudheer,; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","1,2-Bis-(diphenylphosphino)ethane (dppe) appended cobalt(iii)-dithiocarbamates as single source precursors of cobalt sulfide/cobalt phosphide composites: apt electrocatalytic materials for water splitting reactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ01285B","","x-ray","0.71073","MoKα","","0.0563","0.0437","","","0.0992","0.1091","","","","","","1.058","","","","has coordinates,has disorder","291766","2024-05-08","00:28:25",""
"7100110","26.003","0.003","19.882","0.002","31.266","0.003","90","","102.99","0.01","90","","15751","3","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C116 H214 Cr8 F12 N2 Ni2 O36 -","- C103 H188 Cr8 F12 N Ni2 O36 -","- C412 H752 Cr32 F48 N4 Ni8 O144 -","4","0.5","","R. Winpenny; Andrei S. Batsanov; Finn Krebs Larsen; Chris Muryn; Jacob Overgaard; S.J. Teat; Grigore A. Timco","Influencing The Nuclearity and Constitution of Heterometallic Rings Via Templates","Chemical Communications","2005","","","","","10.1039/b504912a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180103","2020-10-21","18:00:00",""
"7100272","16.4659","0.0012","16.7508","0.0012","18.1131","0.0013","90","","115.137","0.002","90","","4522.8","0.6","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 B2 Cl2 N2 O4 -","- C48 H52 B2 Cl2 N2 O4 -","- C192 H208 B8 Cl8 N8 O16 -","4","0.5","","Carl Redshaw; Mark R.J. Elsegood","Synthesis of bis(bora)calix[4]arenes bearing perfluoroaryl substituents","Chemical Communications","2005","","","","","10.1039/b509556e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","180104","2020-10-21","18:00:00",""
"7100709","22.5","0.004","7.6642","0.0009","23.869","0.004","90","","114.74","0.02","90","","3738.3","1.1","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H11 Fe2 N O6 S2 -","- C15 H11 Fe2 N O6 S2 -","- C120 H88 Fe16 N8 O48 S16 -","8","1","","Sascha Ott; Gerriet Eilers; Lars Eriksson; Adolf Gogoll; Reiner Lomoth; Lennart Schwartz","Iron Hydrogenase Active Site Mimic Holding a Proton and a Hydride","Chemical Communications","2006","","","","","10.1039/b514280f","","","","","","","","","","","","","","","","","","","","","has coordinates","180109","2020-10-21","18:00:00",""
"7100953","22.385","0.004","10.4127","0.0018","22.665","0.004","90","","103.516","0.004","90","","5136.6","1.6","115","2","115","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C52 H56 Cl2 Cu2 F6 N6 Sb -","- C52.6 H52 Cl2 Cu2 F6 N6 Sb -","- C210.4 H208 Cl8 Cu8 F24 N24 Sb4 -","4","0.5","","Xuan Jiang.; J.C.Bollinger; Mu-Hyun Baik.; Dongwhan Lee.","","Chemical Communications","2005","","","","","10.1039/b412152j","","","","","","","","","","","","","","","","","","","","","has coordinates","180111","2020-10-21","18:00:00",""
"7101224","44.218","0.011","11.535","0.002","22.898","0.005","90","","93.96","0.009","90","","11651","4","220","2","220","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","hexaferrocenylbenzene, 1,2-dichlorobenzene solvate","","- C69 H56 Cl Fe6 -","- C69 H56 Cl Fe6 -","- C552 H448 Cl8 Fe48 -","8","1","","Peter Vollhardt; Andrew D. Bond; Philip W. Leonard; Ulrich J. Lorenz; Tatiana V. Timofeeva; Glenn D. Whitener; Andrey A. Yakovenko; Yong Yu","Hexaferrocenylbenzene","Chemical Communications","2006","","24","","","10.1039/b604844g","","","0.685","synchrotron","","0.1325","0.1051","","","0.2779","0.2913","","","","","","1.041","","","","has coordinates","180114","2020-10-21","18:00:00",""
"7102499","14.7313","0.0012","13.7642","0.0011","21.372","0.002","90","","104.67","0.004","90","","4192.1","0.6","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H20 N8 O6 Zn -","- C18 H20 N8 O6 Zn -","- C144 H160 N64 O48 Zn8 -","8","1","","Mareque-Rivas, Juan C; Torres Martín de Rosales, Rafael; Parsons, Simon","The affinity of phosphates to zinc(II) complexes can be increased with hydrogen bond donors.","Chemical communications (Cambridge, England)","2004","","5","610","611","10.1039/b314616b","","","0.71073","MoKα","","0.0512","0.0475","","","0.1251","0.1275","","","","","","1.08","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102653","16.195","0.003","8.037","0.002","34.199","0.009","90","","98.901","0.011","90","","4397.8","1.8","203","2","203","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H27 Br2 P Pd2 -","- C20 H27 Br2 P Pd2 -","- C160 H216 Br16 P8 Pd16 -","8","1","","Christmann, Ute; Vilar, Ramón; White, Andrew J P; Williams, David J","Synthesis of two novel dinuclear palladium(I) complexes and studies of their catalytic activity in amination reactions.","Chemical communications (Cambridge, England)","2004","","11","1294","1295","10.1039/b402283a","","","0.71073","MoKα","","0.1099","0.054","","","0.0909","0.1026","","","","","","0.943","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7103549","25.135","0.002","28.011","0.003","25.235","0.002","90","","118.871","0.001","90","","15559","2","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C162 H242 Fe2 N2 -","- C144 H200 Fe2 N2 -","- C576 H800 Fe8 N8 -","4","0.5","","Ni, Chengbao; Fettinger, James C; Long, Gary J; Brynda, Marcin; Power, Philip P","Reaction of a sterically encumbered iron(I) aryl/arene with organoazides: formation of an iron(V) bis(imide).","Chemical communications (Cambridge, England)","2008","","45","6045","6047","10.1039/b810941a","","","0.71073","MoKα","","0.0822","0.0612","","","0.2006","0.217","","","","","","1.107","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00",""
"7103771","21.587","0.005","8.979","0.005","26.183","0.005","90","","104.844","0.005","90","","4906","3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H22 Cl2 N P Pd -","- C25 H22 Cl2 N P Pd -","- C200 H176 Cl16 N8 P8 Pd8 -","8","1","","Leca, François; Sauthier, Mathieu; Le Guennic, Boris; Lescop, Christophe; Toupet, Loic; Halet, Jean-François; Réau, Régis","Stereospecific isomerisation of P-heterocycles triggered by coordination: synthesis of the first P,N-chelates featuring a 2-phospholene moiety","Chemical Communications (Cambridge, United Kingdom)","2003","","","1774","1775","10.1039/b304308h","","","0.71069","MoKα","","0.1919","0.1582","","","0.4315","0.4475","","","","","","1.697","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103838","30.395","0.004","10.1195","0.0012","19.465","0.002","90","","105.829","0.002","90","","5760.2","1.2","193","2","193","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C54 H52 Cl8 Ga2 P4 -","- C54 H52 Cl8 Ga2 P4 -","- C216 H208 Cl32 Ga8 P16 -","4","0.5","","Burford, Neil; Ragogna, Paul J.; McDonald, Robert; Ferguson, Michael J.","Homoatomic P → P coordination: A versatile synthetic approach to polyphosphorus dications","Chemical Communications (Cambridge, United Kingdom)","2003","","16","2066","2067","10.1039/b304984a","","","0.71073","MoKα","","0.083","0.0503","","","0.1189","0.1324","","","","","","1.019","","","","has coordinates","209759","2020-10-21","18:00:00",""
"7104205","18.7196","0.0005","5.4883","0.0001","19.2225","0.0005","90","","104.159","0.003","90","","1914.9","0.08","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C9 H10 Br Cl -","- C9 H10 Br Cl -","- C72 H80 Br8 Cl8 -","8","1","","Braddock, D Christopher; Hermitage, Stephen A; Kwok, Lilian; Pouwer, Rebecca; Redmond, Joanna M; White, Andrew J P","The generation and trapping of enantiopure bromonium ions.","Chemical communications (Cambridge, England)","2009","34","9","1082","1084","10.1039/b816914d","","","1.54248","CuKα","","0.0337","0.0278","","","0.0749","0.0773","","","","","","1.101","","","","has coordinates,has disorder","180145","2020-10-21","18:00:00",""
"7105518","13.064","0.001","12.9928","0.001","14.0524","0.0011","90","","95.245","0.006","90","","2375.2","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C112 H64 N16 O32 -","8","1","","Panda, Biswajit; Sarkar, Tarun K.","Gold and palladium combined for the Sonogashira-type cross-coupling of arenediazonium salts","Chemical Communications","2010","46","18","3131","3133","10.1039/c001277g","","","0.71073","MoKα","","0.1402","0.0552","","","0.1114","0.1463","","","","","","0.982","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7106081","26.247","0.006","4.9783","0.0011","26.853","0.006","90","","113.635","0.004","90","","3214.4","1.3","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C21 H16 N3 -","- C21 H16 N3 -","- C168 H128 N24 -","8","1","","Bin Yan; Jordan Cramen; Robert McDonald; Natia L. Frank","Ferromagnetic Spin-Delocalized Electron Donors for Multifunctional Materials: p-Conjugated Benzotriazinyl Radicals","Chem.Commun.","2011","47","","3201","","10.1039/c0cc04727a","","","0.71073","MoKα","","0.1073","0.0594","","","0.1563","0.1883","","","","","","1.023","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106261","19.2793","0.0013","25.2623","0.0012","19.4304","0.0019","90","","90.39","0.007","90","","9463.2","1.2","183","2","183","2","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","(Ag(NO3)(N1-hexyluracil-kappaO4)4)","[Ag(NO3)(N1-hexyluracil-κO4)4]","","- C40 H64 Ag N9 O11 -","- C40 H64 Ag N9 O11 -","- C320 H512 Ag8 N72 O88 -","8","1","","Miquel Barcelo-Oliver; Carolina Estarellas; Angel Terron; Angel Garcia-Raso; Antonio Frontera","RNAs' uracil quartet model with a non-essential metal ion","Chem.Commun.","2011","47","","4646","","10.1039/c1cc10376h","","x-ray","0.7107","MoKα","","0.1031","0.0502","","","0.1169","0.1293","","","","","","0.95","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107335","16.1025","0.001","15.5813","0.0008","17.0644","0.0011","90","","98.454","0.008","90","","4234.9","0.4","183","2","183","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H60 F6 N6 Ni2 O14 S2 -","- C27 H38 F6 N6 Ni2 O14 S2 -","- C108 H152 F24 N24 Ni8 O56 S8 -","4","0.5","","Alfredo Medina-Molner; Bernhard Spingler","When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes","Chem.Commun.","2012","48","","1961","","10.1039/c2cc16483c","","","0.71073","MoKα","","0.0821","0.0658","","","0.1939","0.2106","","","","","","1.078","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107426","29.8044","0.0008","10.38","0.0005","31.855","0.002","90","","95.29","0.002","90","","9813","0.8","153","2","153","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C99 H155 Cl6 F N6 O5 -","- C99 H151 Cl6 F N6 O5 -","- C396 H604 Cl24 F4 N24 O20 -","4","0.5","","Kwan-Bok Jung; Sung Kuk Kim; Vincent M. Lynch; Dong-Gyu Cho; Jonathan L. Sessler","A calix[2]phenol[2]pyrrole and a fused pyrrolidine-containing derivative","Chem.Commun.","2012","48","","2495","","10.1039/c2cc17888e","","","0.71075","MoKα","","0.1623","0.0831","","","0.2221","0.2553","","","","","","1.366","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107449","23.8622","0.0017","14.474","0.0017","49.226","0.004","90","","95.462","0.007","90","","16925","3","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50 H111 Mo12 N4 O42 P V2 -","- C50 H111 Mo12 N4 O42 P V2 -","- C400 H888 Mo96 N32 O336 P8 V16 -","8","1","","Ridla Bakri; Andrew Booth; Gavin Harle; Paul S. Middleton; Corinne Wills; William Clegg; Ross W. Harrington; R. John Errington","Rational addition of capping groups to the phosphomolybdate Keggin anion [PMo<sub>12</sub>O<sub>40</sub>]<sup>3-</sup> by mild, non-aqueous reductive aggregation","Chem. Commun.","2012","48","","2779","","10.1039/c2cc17670j","","","0.6393","synchrotron","","0.1175","0.0588","","","0.1209","0.1485","","","","","","0.93","","","","has coordinates,has disorder","180178","2020-10-21","18:00:00",""
"7107673","16.2061","0.0007","10.9226","0.0004","17.1311","0.0006","90","","93.915","0.01","90","","3025.3","0.2","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,1'-(1-Allyl-4-phenyl-1,4-dihydropyridine-3,5-diyl)diethanone","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C144 H152 N8 O16 -","8","1","","P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting","A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines","Chem.Commun.","2012","48","","4893","4895","10.1039/c2cc31495a","","","0.71073","MoKα","","0.0545","0.0403","","","0.1036","0.1123","","","","","","1.034","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107735","47.4626","0.0013","14.0486","0.0004","50.1602","0.0011","90","","103.689","0.003","90","","32495.9","1.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C148 H276.6 Cl10 Mn36 N6 Ni4 O126.3 -","- C148 H248 Cl10 Mn36 N6 Ni4 O126.3 -","- C592 H992 Cl40 Mn144 N24 Ni16 O505.2 -","4","0.5","","Maria Charalambous; Eleni E. Moushi; Constantina Papatriantafyllopoulou; Wolfgang Wernsdorfer; Vassilios Nastopoulos; George Christou; Anastasios J. Tasiopoulos","A Mn36Ni4 'loop-of-loops-and-supertetrahedra' aggregate possessing a high ST = 26 +/- 1 spin ground state","Chem.Commun.","2012","48","","5410","","10.1039/c2cc30654a","","","0.71073","MoKα","","0.1503","0.0725","","","0.1702","0.1851","","","","","","0.933","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108500","18.3523","0.0013","11.5228","0.0008","18.6286","0.0014","90","","90.916","0.006","90","","3938.9","0.5","100","2","100","2","","","","","","","synthesis as described","4","I 1 2/a 1","-I 2ya","15","","","","- C38 H38 O12 S6 -","- C38 H38 O12 S6 -","- C152 H152 O48 S24 -","4","0.5","","Louis J. Farrugia; James H. Gall; David D. MacNicol","1,2,4,5-Tetrakis(phenylsulfonyl)benzene: a novel quadruped host with D2 symmetry having ordered sulfolane and cycloheptanone guests","Chem.Commun.","2012","48","","10600","","10.1039/c2cc35647c","","x-ray","0.71073","MoKα","","0.0443","0.0366","","","0.1021","0.1056","","","","","","1.071","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7109636","11.96","0.003","10.526","0.002","15.425","0.004","90","","101.368","0.002","90","","1903.8","0.8","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C9 H14 O5 -","- C9 H14 O5 -","- C72 H112 O40 -","8","1","","Awais Ahmed; Steven D. R. Christie; Mark R. J. Elsegood; Gareth J. Pritchard","A mild Lewis acid mediated epoxy-ester to bicyclic ortho ester rearrangement","Chem.Commun.","2013","49","","7489","","10.1039/c3cc44364g","","","0.71073","MoKα","","0.0587","0.0438","","","0.1214","0.1321","","","","","","1.058","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7110538","14.4444","0.0015","16.998","0.003","27.623","0.003","90","","99.941","0.013","90","","6680.3","1.6","220","2","220","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","5,5''-Bis{((5-cyclopentadienyl)-[(6-(4,7-di-n-butylbenzo[b]thien-2-yl)] -ruthenium}-2,2':5',2''-terthiophene bishexafluorophosphate","","- C54 H58 F12 P2 Ru2 S5 -","- C108 H116 F24 P4 Ru4 S10 -","- C216 H232 F48 P8 Ru8 S20 -","2","0.25","","Grüner, Gerhard; Bäuerle, Peter; Debaerdemaeker, Tony","First crystallographic structure determination of an oligothiophene metal π-complex","Chemical Communications","1999","","12","1097","","10.1039/a902249j","","","0.71073","MoKα","","0.1789","0.0937","","","0.2276","0.2585","","","","","","0.784","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110677","23.12","0.005","16.007","0.003","32.068","0.008","90","","111.177","0.004","90","","11066","4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C57.63 H52.63 B4 N4 O6 -","- C57.768 H52.792 B4 N4 O6 -","- C462.144 H422.336 B32 N32 O48 -","8","1","","Comina, Paul J.; Philp, Douglas; Kariuki, Benson M.; Harris, Kenneth D. M.","Covalent self-assembly of a dimeric borazaaromatic macrocycle†","Chemical Communications","1999","","22","2279","","10.1039/a906257b","","","0.71069","MoKα","","0.1827","0.1013","","0.291","0.2386","","","","0.938","1.25","1.25","","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110680","40.625","0.006","20.382","0.001","25.482","0.004","90","","106.54","0.01","90","","20226","5","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C64 H93.17 Cd2 Cl4 N2 O0.58 Pt -","- C64 H84 Cd2 Cl4 N2 O0.583333 Pt -","- C768 H1008 Cd24 Cl48 N24 O7 Pt12 -","12","1.5","","Charmant, J. P. H.; Gómez, J.; Orpen, A. G.; Falvello, L. R.; Forniés, J.; Rueda, A.; Gómez, J.; Lalinde, E.; Moreno, M. T.","Synthesis, structural characterisation and luminescence studies of the first alkynyl stabilised platinum‒cadmium complexes","Chemical Communications","1999","","20","2045","","10.1039/a906394c","","","0.71073","MoKα","","0.1748","0.0745","","","0.1673","0.1881","","","","","","0.956","","","","has coordinates,has disorder","180220","2020-10-21","18:00:00",""
"7110873","22.2023","0.0008","21.6541","0.0006","25.343","0.001","90","","105.96","0.002","90","","11714.5","0.7","183","2","183","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C112 H122 N12 Ni2 O4 Zn2 -","- C112 H122 N12 Ni2 O4 Zn2 -","- C448 H488 N48 Ni8 O16 Zn8 -","4","0.5","","Döhler, Thomas; Görls, Helmar; Walther, Dirk","Di- and oligo-nuclear nickel complexes with oxalic amidinato bridging ligands: syntheses, structures and catalytic reactions","Chemical Communications","2000","","11","945","","10.1039/b000791i","","","0.71073","MoKα","","0.1752","0.0862","","","0.2171","0.261","","","","","","1.01","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7112725","17.888","0.004","11.26","0.003","21.426","0.002","90","","108.65","0.04","90","","4089","1.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H21 N3 O4 -","- C24 H21 N3 O4 -","- C192 H168 N24 O32 -","8","1","","Rajesh, Stephen Michael; Perumal, Subbu; Menéndez, J. Carlos; Yogeeswari, Perumal; Sriram, Dharmarajan","Antimycobacterial activity of spirooxindolo-pyrrolidine, pyrrolizine and pyrrolothiazole hybrids obtained by a three-component regio- and stereoselective 1,3-dipolar cycloaddition","MedChemComm","2011","2","7","626","","10.1039/c0md00239a","","","0.71073","MoKα","","0.1943","0.077","","","0.1877","0.2173","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7114512","13.028","0.003","6.768","0.002","20.069","0.005","90","","101.501","0.014","90","","1734","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H24 Cl2 Fe N2 -","- C14 H24 Cl2 Fe N2 -","- C56 H96 Cl8 Fe4 N8 -","4","0.5","","Gibson, Vernon C.; O'Reilly, Rachel K.; Reed, Warren; Wass, Duncan F.; White, Andrew J. P.; Williams, David J.","Four-coordinate iron complexes bearing α-diimine ligands: efficient catalysts for Atom Transfer Radical Polymerisation (ATRP)","Chemical Communications","2002","","17","1850","1851","10.1039/b204510a","","","1.54178","CuKα","","0.066","0.0519","","0.1555","0.1383","","","","1.073","1.099","1.099","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114544","12.042","0.001","12.287","0.001","16.122","0.001","90","","98.59","0.01","90","","2358.7","0.3","123","2","123","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Bis (pentammin sodium) tetraarsenide-ammonia (1/3)","","- As4 H39 N13 Na2 -","- As4 H36 N13 Na2 -","- As16 H144 N52 Na8 -","4","0.5","","Korber, Nikolaus; Reil, Markus","An isolated cyclo-tetraarsendiide: low temperature synthesis and crystal structure of bis-pentaamminesodium tetraarsendiide‒ammonia (1/3) [Na(NH3)5]2As4·3NH3","Chemical Communications","2002","","1","84","","10.1039/b108879c","","","0.71073","MoKα","","0.0746","0.0332","","","0.0646","0.0722","","","","","","0.885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114757","17.2338","0.0017","15.8698","0.0016","18.3355","0.0018","90","","103.07","0.01","90","","4884.8","0.9","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H27 Mn N18 O14 S0.5 -","- C6 H20.02 Mn N18 O13.5 S0.5 -","- C48 H160.16 Mn8 N144 O108 S4 -","8","1","","Das, Gopal; Bharadwaj, Parimal K.; Ghosh, Debjani; Chaudhuri, Beauty; Banerjee, Rupendranath","Synthesis and structure of the [MnIV(biguanide)3]4+ ion: the simplest source for water-stable manganese(iv)","Chemical Communications","2001","","4","323","","10.1039/b007013k","","","0.71073","MoKα","","0.1614","0.0943","","","0.2755","0.3235","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114812","19.54","0.042","10.668","0.032","24.23","0.072","90","","113.77","0.19","90","","4622","2","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","4 nitro N-2,6 diisopropylphenyl 4 t-butylbenzamide","","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C184 H240 N16 O24 -","8","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71069","MoKα","","0.2374","0.2215","","0.5635","0.5464","","","","1.115","1.191","1.191","","","","","has coordinates,has disorder","180262","2020-10-21","18:00:00",""
"7115099","13.515","0.001","16.643","0.001","13.934","0.001","90","","103.12","0.01","90","","3052.4","0.4","210","2","210","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C30 H60 N2 -","- C30 H60 N2 -","- C120 H240 N8 -","4","0.5","","Batsanov, Andrei S.; Blake, Alexander J.; Hext, Nicholas M.; Mascal, Mark","Structure and polymorphism of the 10.10.10 Simmons and Park cryptand","Chemical Communications","2001","","1","127","","10.1039/b008044f","","","0.71073","MoKα","","0.142","0.0836","","","0.196","0.254","","","","","","1.09","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7115356","20.7069","0.0006","9.4597","0.0003","28.7537","0.0009","90","","104.04","0.003","90","","5464","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27 H28 B Cu N6 -","- C27 H28 B Cu N6 -","- C216 H224 B8 Cu8 N48 -","8","1","","Tian Wen; De-Xiang Zhang; Hai-Xia Zhang; Hua-Bin Zhang; Jian Zhang; Dong-Sheng Li","Redox-active Cu(I) boron imidazolate framework for mechanochromic and catalytic applications","Chem.Commun.","2014","50","","8754","","10.1039/C4cc02057J","","","1.54184","CuKα","","0.0508","0.041","","","0.1031","0.1087","","","","","","1.037","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115949","10.037","0.002","17.698","0.004","12.687","0.003","90","","96.75","0.03","90","","2238","0.9","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H18 O11 Pb2 -","- C22 H18 O11 Pb2 -","- C88 H72 O44 Pb8 -","4","0.5","","Jane V. Knichal; William J. Gee; Andrew D. Burrows; Paul R. Raithby; Simon J. Teat; Chick C. Wilson","A facile single crystal to single crystal transition with significant structural contraction on desolvation","Chem.Commun.","2014","50","","14436","","10.1039/C4cc06587E","","","0.71073","MoKα","","0.0581","0.0405","","","0.0872","0.0962","","","","","","1.008","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116755","15.4006","0.0003","9.5362","0.0002","28.09","0.002","90","","90.988","0.006","90","","4124.8","0.3","240","2","240","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C18 H18 B Cu F5 N4 O3 -","- C18 H18 B Cu F5 N4 O3 -","- C144 H144 B8 Cu8 F40 N32 O24 -","8","1","","Cameron M. Moore; Nathaniel K. Szymczak","Redox-induced fluoride ligand dissociation stabilized by intramolecular hydrogen bonding","Chem.Commun.","2015","51","","5490","","10.1039/C4cc06832G","","","1.54178","CuKα","","0.0631","0.0559","","","0.1636","0.1712","","","","","","1.152","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7117396","25.9044","0.0009","13.2058","0.0003","23.7598","0.0008","90","","99.772","0.003","90","","8010","0.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H41 Mn N8 O7 U -","- C39 H41 Mn N8 O7 U -","- C312 H328 Mn8 N64 O56 U8 -","8","1","","Lucile Chatelain; Floriana Tuna; Jacques Pecaut; Marinella Mazzanti","A zig-zag uranyl(V)-Mn(II) single chain magnet with a high relaxation barrier","Chem.Commun.","2015","51","","11309","","10.1039/C5cc02945G","","","0.71073","MoKα","","0.1141","0.0501","","","0.0697","0.0853","","","","","","0.967","","","","has coordinates,has disorder","139951","2020-10-21","18:00:00",""
"7117409","18.8405","0.0003","10.1491","0.0002","34.9207","0.0005","90","","92.318","0.001","90","","6671.87","0.19","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C52 H82 N4 O10 P2 Si6 W2 -","- C52 H82 N4 O10 P2 Si6 W2 -","- C208 H328 N16 O40 P8 Si24 W8 -","4","0.5","","Nora C. Breit; Tibor Szilvasi; Shigeyoshi Inoue","Facile rotation around a silicon-phosphorus double bond enabled through coordination to tungsten","Chem.Commun.","2015","51","","11272","","10.1039/C5cc04247J","","","1.54184","CuKα","","0.0397","0.0361","","","0.0854","0.0881","","","","","","1.066","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117542","9.3605","0.0007","9.6918","0.0007","11.0752","0.0007","90","","108.566","0.005","90","","952.45","0.12","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 Cs F4 O4 -","- C8 Cs F4 O4 -","- C32 Cs4 F16 O16 -","4","0.5","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0214","0.0214","","","0.0559","0.0559","","","","","","1.097","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117543","9.2821","0.0007","9.7189","0.0007","10.9837","0.0008","90","","110.34","0.005","90","","929.08","0.12","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 F4 O4 Rb -","- C8 F4 O4 Rb -","- C32 F16 O16 Rb4 -","4","0.5","","L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles","Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials","Chem.Commun.","2015","51","","12185","","10.1039/C5cc04174K","","x-ray","0.71075","MoKα","","0.0837","0.0802","","","0.185","0.19","","","","","","1.098","","","","has coordinates","152130","2020-10-21","18:00:00",""
"7117599","16.6086","0.0015","7.1589","0.0006","19.141","0.003","90","","102.179","0.001","90","","2224.6","0.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H18 Cu N6 O7 -","- C24 H18 Cu N6 O7 -","- C96 H72 Cu4 N24 O28 -","4","0.5","","Larragy, Ruth; Fitzgerald, Jenny; Prisecaru, Andreea; McKee, Vickie; Leonard, Paul; Kellett, Andrew","Protein engineering with artificial chemical nucleases.","Chemical communications (Cambridge, England)","2015","51","65","12908","12911","10.1039/c5cc04615g","","","0.71073","MoKα","","0.03","0.0278","","","0.0786","0.0801","","","","","","1.101","","","","has coordinates","152983","2020-10-21","18:00:00",""
"7117647","18.4983","0.001","14.4287","0.0008","21.2812","0.0011","90","","90.821","0.001","90","","5679.5","0.5","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H94 K Mn O10 Si6 -","- C40 H94 K Mn O10 Si6 -","- C160 H376 K4 Mn4 O40 Si24 -","4","0.5","","C.-Y. Lin; J. C. Fettinger; N. F. Chilton; A. Formanuik; F. Grandjean; G. J. Long; P. P. Power","Salts of the two-coordinate homoleptic manganese(I) dialkyl anion [Mn{C(SiMe3)3}2]^-^ with quenched orbital magnetism","Chem.Commun.","2015","51","","13275","","10.1039/C5cc05166E","","","0.71073","MoKα","","0.0351","0.0284","","","0.0713","0.0751","","","","","","1.04","","","","has coordinates","153729","2020-10-21","18:00:00",""
"7117690","7.2119","0.0004","21.7175","0.0015","31.966","0.002","90","","95.488","0.006","90","","4983.7","0.5","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","C6-ICor-2CN","","- C30 H19 N3 O2 -","- C30 H19 N3 O2 -","- C240 H152 N24 O16 -","8","1","","Rui Chen; Ru-Qiang Lu; Ke Shi; Fan Wu; Hong-Xun Fang; Zhe-Xuan Niu; Xiao-Yun Yan; Ming Luo; Xin-Chang Wang; Chi-Yuan Yang; Xiao-Ye Wang; Binbin Xu; Haiping Xia; Jian Pei; Xiao-Yu Cao","Corannulene derivatives with low LUMO levels and dense convex-concave packing for n-channel organic field-effect transistors","Chem.Commun.","2015","51","","13768","","10.1039/C5cc03550C","","x-ray","1.54184","CuKα","","0.0862","0.0776","","","0.1974","0.2105","","","","","","1.014","","","","has coordinates","153813","2020-10-21","18:00:00",""
"7118198","37.2375","0.0009","11.7434","0.0002","32.5955","0.0009","90","","101.666","0.003","90","","13959.4","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C75 H93 N4 O13 Pd -","- C75 H93 N4 O13 Pd -","- C600 H744 N32 O104 Pd8 -","8","1","","Nisar Ahamed, B.; Duchêne, Roland; Robeyns, Koen; Fustin, Charles-André","Catenane-based mechanically-linked block copolymers.","Chemical communications (Cambridge, England)","2016","52","10","2149","2152","10.1039/c5cc09775d","","","0.82103","synchrotron","","0.0771","0.071","","","0.1949","0.2022","","","","","","1.007","","","","has coordinates,has disorder","175862","2020-10-21","18:00:00",""
"7118395","12.7719","0.001","13.6832","0.001","19.915","0.002","90","","98.962","0.003","90","","3437.9","0.5","120","","120","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H34 N2 O2 S3 -","- C42 H34 N2 O2 S3 -","- C168 H136 N8 O8 S12 -","4","0.5","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Batsanov, Andrei S.; Data, Przemyslaw; Monkman, Andrew P.; Dias, Fernando B.; Bryce, Martin R.","The interplay of thermally activated delayed fluorescence (TADF) and room temperature organic phosphorescence in sterically-constrained donor-acceptor charge-transfer molecules.","Chemical communications (Cambridge, England)","2016","52","12","2612","2615","10.1039/c5cc09645f","","x-ray","0.71073","MoKα","","0.0468","0.04","","","0.1081","0.1123","","","","","","1.048","","","","has coordinates","175873","2020-10-21","18:00:00",""
"7118580","7.262","0.005","10.026","0.005","30.424","0.005","90","0.005","96.193","0.005","90","0.005","2202.2","1.9","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H10 B F4 N O2 -","- C9 H10 B F4 N O2 -","- C72 H80 B8 F32 N8 O16 -","8","1","","d'Agostino, Simone; Spinelli, Floriana; Boanini, Elisa; Braga, Dario; Grepioni, Fabrizia","Single crystal to single crystal [2+2] photoreactions in chloride and sulphate salts of 4-amino-cinnamic acid via solid-solution formation: a structural and kinetic study.","Chemical communications (Cambridge, England)","2016","52","9","1899","1902","10.1039/c5cc09412g","","x-ray","0.71073","MoKα","","0.1203","0.0567","","","0.0976","0.1242","","","","","","1.048","","","","has coordinates","174802","2020-10-21","18:00:00",""
"7118617","23.4136","0.0016","11.6676","0.0008","35.146","0.003","90","","102.822","0.004","90","","9361.8","1.2","173","2","173","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C43 H45 B2 F15 N2 Ni O2 P2 -","- C43 H45 B2 F15 N2 Ni O2 P2 -","- C344 H360 B16 F120 N16 Ni8 O16 P16 -","8","1","","Ríos, Pablo; Curado, Natalia; López-Serrano, Joaquín; Rodríguez, Amor","Selective reduction of carbon dioxide to bis(silyl)acetal catalyzed by a PBP-supported nickel complex.","Chemical communications (Cambridge, England)","2016","52","10","2114","2117","10.1039/c5cc09650b","","","0.71073","MoKα","","0.0542","0.0372","","","0.1237","0.1405","","","","","","1.031","","","","has coordinates","175115","2020-10-21","18:00:00",""
"7118690","22.9918","0.0015","12.0605","0.0007","25.6249","0.0017","90","","105.728","0.004","90","","6839.6","0.8","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C37 H48 Ge P2 Pd -","- C37 H48 Ge P2 Pd -","- C296 H384 Ge8 P16 Pd8 -","8","1","","Comanescu, Cezar C.; Iluc, Vlad M.","E-H (E = B, Si, Ge) bond activation of pinacolborane, silanes, and germanes by nucleophilic palladium carbene complexes.","Chemical communications (Cambridge, England)","2016","52","58","9048","9051","10.1039/c5cc09468b","","","0.71073","MoKα","","0.0495","0.0337","","","0.0735","0.0776","","","","","","1.052","","","","has coordinates,has disorder","185097","2020-10-21","18:00:00",""
"7119002","30.509","0.006","14.5498","0.0018","33.049","0.004","90","","91.858","0.003","90","","14663","4","103","2","103.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","kim5","(Z)-1-(5-ethoxy-2-(4-nitrophenyl)oxazol-4-yl)ethan-1-one O-methyl oxime","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C560 H600 N120 O200 -","40","5","","Nicole S. Y. Loy; Subin Choi; Sunggak Kim; Cheol-Min Park","The synthesis of pyrroles and oxazoles based on gold alpha-imino carbene complexes","Chem.Commun.","2016","52","","7336","","","","","0.71073","MoKα","","0.1417","0.0772","","","0.1992","0.2499","","","","","","1.031","","","","has coordinates,has disorder","183251","2020-10-21","18:00:00",""
"7119063","19.2951","0.0009","13.6381","0.0004","19.3808","0.0008","90","","119.209","0.005","90","","4451.5","0.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)-N-(2-methylquinolin-8-yl)thiazol-2-amine","","- C25 H25 N3 O2 S -","- C25 H25 N3 O2 S -","- C200 H200 N24 O16 S8 -","8","1","","Wu, Z. L.; Fang, Y. L.; Tang, Y. T.; Xiao, M. W.; Ye, J.; Li, G. X.; Hu, A. X.","Synthesis and antitumor evaluation of 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)-N-arylthiazol-2-amines","Med. Chem. Commun.","2016","7","9","1768","","10.1039/C6MD00234J","","","0.71073","MoKα","","0.0538","0.043","","","0.1074","0.1164","","","","","","1.046","","","","has coordinates,has disorder","187154","2020-10-21","18:00:00",""
"7119386","18.3322","0.0016","10.0821","0.0006","20.0451","0.001","90","","90.573","0.006","90","","3704.7","0.4","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C200 H176 N16 -","8","1","","Griffiths, Kieran; Kumar, Prashant; Akien, Geoffrey R.; Chilton, Nicholas F.; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Kostakis, George E.","Tetranuclear Zn/4f coordination clusters as highly efficient catalysts for Friedel-Crafts alkylation","Chemical Communications","2016","52","50","7866","7869","10.1039/c6cc03608b","","x-ray","0.71075","MoKα","","0.1149","0.0575","","","0.1015","0.1202","","","","","","1.032","","","","has coordinates","209431","2020-10-21","18:00:00",""
"7119691","24.178","0.002","6.638","0.0006","24.262","0.002","90","","99.235","0.005","90","","3843.4","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 Br2 N2 O4 S2 -","- C18 H14 Br2 N2 O4 S2 -","- C144 H112 Br16 N16 O32 S16 -","8","1","","Roy, Arundhati; Biswas, Oindrila; Talukdar, Pinaki","Bis(sulfonamide) transmembrane carriers allow pH-gated inversion of ion selectivity.","Chemical communications (Cambridge, England)","2017","53","21","3122","3125","10.1039/c7cc00165g","","","0.71073","MoKα","","0.0374","0.026","","","0.0875","0.0994","","","","","","0.804","","","","has coordinates","194984","2020-10-21","18:00:00",""
"7120981","20.1187","0.0004","13.9835","0.0003","36.0701","0.001","90","","104.18","0.002","90","","9838.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H44 B2 N12 O4 Te2 W2 -","- C36 H44 B2 N12 O4 Te2 W2 -","- C288 H352 B16 N96 O32 Te16 W16 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab","Bis(alkylidynyl)tellurides and ditellurides","Chemical Communications (Cambridge, United Kingdom)","2018","54","14","1702","1705","10.1039/c7cc08776d","","","0.71073","MoKα","","0.0343","0.0253","","","0.0541","0.0568","","","","","","1.023","","","","has coordinates,has disorder","210834","2020-10-21","18:00:00",""
"7121002","17.4076","0.0009","17.4445","0.0011","34.0495","0.0019","90","","90.184","0.004","90","","10339.7","1","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C57 H36 Br I4 P -","- C57 H36 Br I4 P -","- C456 H288 Br8 I32 P8 -","8","1","","Gunawardana, C. A.; Đaković, M; Aakeröy, C B","Diamondoid architectures from halogen-bonded halides.","Chemical communications (Cambridge, England)","2018","54","6","607","610","10.1039/c7cc08839f","","","0.71073","MoKα","","0.1105","0.0661","","","0.1313","0.1492","","","","","","1.075","","","","has coordinates","228245","2020-10-21","18:00:00",""
"7121003","17.419","0.0011","17.3989","0.0008","34.9081","0.0017","90","","90.638","0.006","90","","10579","1","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C57 H36 I5 P -","- C57 H36 I5 P -","- C456 H288 I40 P8 -","8","1","","Gunawardana, C. A.; Đaković, M; Aakeröy, C B","Diamondoid architectures from halogen-bonded halides.","Chemical communications (Cambridge, England)","2018","54","6","607","610","10.1039/c7cc08839f","","","0.71073","MoKα","","0.1248","0.0709","","","0.1474","0.1743","","","","","","1.046","","","","has coordinates","228245","2020-10-21","18:00:00",""
"7121004","17.373","0.0006","17.4497","0.0007","33.5122","0.0011","90","","90.168","0.004","90","","10159.3","0.6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C57 H36 Cl I4 P -","- C57 H36 Cl I4 P -","- C456 H288 Cl8 I32 P8 -","8","1","","Gunawardana, C. A.; Đaković, M; Aakeröy, C B","Diamondoid architectures from halogen-bonded halides.","Chemical communications (Cambridge, England)","2018","54","6","607","610","10.1039/c7cc08839f","","","0.71073","MoKα","","0.086","0.0571","","","0.1456","0.162","","","","","","1.04","","","","has coordinates","228245","2020-10-21","18:00:00",""
"7121869","9.4547","0.0006","19.5345","0.0012","11.8695","0.0007","90","","94.891","0.003","90","","2184.2","0.2","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H32 I N4 P -","- C18 H32 I N4 P -","- C72 H128 I4 N16 P4 -","4","0.5","","Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.","Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.","Chemical communications (Cambridge, England)","2018","54","55","7645","7648","10.1039/c8cc03972k","","","0.71073","MoKα","","0.0305","0.0243","","","0.0574","0.0608","","","","","","1.074","","","","has coordinates","228053","2020-10-21","18:00:00",""
"7121982","23.7773","0.0015","5.4608","0.0004","31.7244","0.0019","90","","92.002","0.006","90","","4116.7","0.5","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","(S,Z)-N-argio-2-(1-formylpyrrolidin-2-yl)-2-(2-phenylhydrazono)acetamide","","- C21 H18 F6 N4 O2 -","- C21 H18 F6 N4 O2 -","- C168 H144 F48 N32 O16 -","8","1","","Zabaleta, Nagore; Uria, Uxue; Reyes, Efraim; Carrillo, Luisa; Vicario, Jose L.","Ion-pairing catalysis in the enantioselective addition of hydrazones to N-acyldihydropyrrole derivatives.","Chemical communications (Cambridge, England)","2018","54","64","8905","8908","10.1039/c8cc05311a","","x-ray","1.54184","CuKα","","0.0717","0.0572","","","0.1565","0.1679","","","","","","1.042","","","","has coordinates,has disorder","228234","2020-10-21","18:00:00",""
"7122194","26.227","0.005","25.66","0.005","29.043","0.014","90","","105.67","0.03","90","","18819","11","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C70 H128 N2 O25 Ti6 -","- C70 N2 O25 Ti6 -","- C560 N16 O200 Ti48 -","8","1","","Zou, Dan-Hong; Cui, Li-Na; Liu, Pei-Yi; Yang, Shen; Zhu, Qin-Yu; Dai, Jie","Triphenylamine derived titanium oxo clusters: an approach to effective organic-inorganic hybrid dyes for photoactive electrodes.","Chemical communications (Cambridge, England)","2018","54","71","9933","9936","10.1039/c8cc05441j","","","0.71073","MoKα","","0.156","0.1005","","","0.1631","0.1861","","","","","","1.18","","","","has coordinates","228277","2020-10-21","18:00:00",""
"7122431","15.285","0.0006","10.7644","0.0005","27.3927","0.001","90","","93.766","0.004","90","","4497.3","0.3","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C38 H45 B2 N12 O4 P W2 -","- C38 H45 B2 N12 O4 P W2 -","- C152 H180 B8 N48 O16 P4 W8 -","4","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.043","0.0309","","","0.0703","0.0753","","","","","","1.02","","","","has coordinates,has disorder","228611","2020-10-21","18:00:00",""
"7122517","20.993","0.0013","17.0469","0.0008","30.788","0.002","90","","90.228","0.005","90","","11017.9","1.1","193","2","193","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C132 H129.5 -","- C132 H129.5 -","- C528 H518 -","4","0.5","","Hu, Yunbin; Wang, Di; Baumgarten, Martin; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu","Spiro-fused bis-hexa-peri-hexabenzocoronene.","Chemical communications (Cambridge, England)","2018","54","96","13575","13578","10.1039/c8cc07405d","","","1.54178","CuKα","","0.3471","0.2358","","","0.5136","0.6109","","","","","","1.508","","","","has coordinates,has disorder","228574","2020-10-21","18:00:00",""
"7122575","21.3898","0.0004","14.7759","0.0002","32.3467","0.0007","90","","108.989","0.002","90","","9666.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C33.09 H43.64 Cl0.73 F2.18 N2.91 O2.18 P1.45 S0.73 -","- C33.0909 H43.6364 Cl0.727273 F2.18182 N2.90909 O2.18182 P1.45455 S0.727273 -","- C364 H480 Cl8 F24 N32 O24 P16 S8 -","11","1.375","","Hermannsdorfer, André; Stephan, Douglas W.; Driess, Matthias","Taming a silyldiium cation and its reactivity towards sodium phosphaethynolate.","Chemical communications (Cambridge, England)","2018","54","96","13523","13526","10.1039/c8cc07632d","","","1.54184","CuKα","","0.0725","0.0567","","","0.151","0.1674","","","","","","1.061","","","","has coordinates,has disorder","228579","2020-10-21","18:00:00",""
"7122730","19.049","0.0013","10.6495","0.0007","16.038","0.0009","90","","92.738","0.006","90","","3249.8","0.4","295.62","0.1","295.62","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C11 H20 B9 N O -","- C11 H20 B9 N O -","- C88 H160 B72 N8 O8 -","8","1","","Zhang, Cai-Yan; Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Lin-Hai; Yang, Junxiao","A facile approach for synthesis of nido-carborane fused oxazoles via one pot deboronation/cyclization of 9-amide-o-carboranes","Chemical Communications","2018","","","","","10.1039/C8CC07728B","","","0.71073","MoKα","","0.0978","0.067","","","0.1549","0.1767","","","","","","1.07","","","","has coordinates","212591","2020-10-21","18:00:00",""
"7123037","17.4339","0.0006","11.9674","0.0003","18.4715","0.0007","90","","117.847","0.005","90","","3407.6","0.2","101","2","101","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Br Mn N2 O2 S2 -","- C16 H14 Br Mn N2 O2 S2 -","- C128 H112 Br8 Mn8 N16 O16 S16 -","8","1","","Sarbajna, Abir; Patil, Pradnya H.; Dinh, Minh Hoan; Gladkovskaya, Olga; Fayzullin, Robert R.; Lapointe, Sébastien; Khaskin, Eugene; Khusnutdinova, Julia R.","Facile and reversible double dearomatization of pyridines in non-phosphine MnI complexes with N,S-donor pyridinophane ligand","Chemical Communications","2019","","","","","10.1039/C9CC00424F","","x-ray","0.71073","MoKα","","0.0297","0.026","","","0.0679","0.0692","","","","","","1.049","","","","has coordinates","213770","2020-10-21","18:00:00",""
"7123041","18.1969","0.0003","12.35882","0.00016","16.6861","0.0003","90","","117.826","0.002","90","","3318.66","0.11","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Cl Mn N2 O2 S2 -","- C16 H14 Cl Mn N2 O2 S2 -","- C128 H112 Cl8 Mn8 N16 O16 S16 -","8","1","","Sarbajna, Abir; Patil, Pradnya H.; Dinh, Minh Hoan; Gladkovskaya, Olga; Fayzullin, Robert R.; Lapointe, Sébastien; Khaskin, Eugene; Khusnutdinova, Julia R.","Facile and reversible double dearomatization of pyridines in non-phosphine MnI complexes with N,S-donor pyridinophane ligand","Chemical Communications","2019","","","","","10.1039/C9CC00424F","","x-ray","0.71073","MoKα","","0.0258","0.0235","","","0.0642","0.0652","","","","","","1.035","","","","has coordinates","213770","2020-10-21","18:00:00",""
"7123380","9.7492","0.001","8.9386","0.0009","22.528","0.003","90","","93.546","0.003","90","","1959.4","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C8 H6 B F5 N2 -","- C8 H6 B F5 N2 -","- C64 H48 B8 F40 N16 -","8","1","","Hennig, Philipp T.; Sprenger, Jan Arke Peter; Schneider, Leon; Ignat'ev, Nikolai; Finze, Maik","The pentafluoroethyltrihydridoborate anion: From shock sensitive salts to stable room temperature ionic liquids","Chemical Communications","2019","","","","","10.1039/C9CC02935D","","","0.71073","MoKα","","0.0428","0.0331","","","0.0852","0.0891","","","","","","1.063","","","","has coordinates","214886","2020-10-21","18:00:00",""
"7123408","14.6939","0.0003","15.677","0.0003","31.8617","0.0006","90","","94.2707","0.0016","90","","7319.2","0.2","298.2","0.3","298.2","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C50 H33 O2 S -","- C47 H30 O2 S -","- C376 H240 O16 S8 -","8","1","","Fu, Caixia; Luo, Shuai; Li, Zhenzhen; Ai, Xin; Pang, Zhenguo; Li, Chuan; Chen, Kuan; Zhou, Liang; Li, Feng; Huang, Yan; Lu, Zhiyun","Highly Efficient Deep-Blue OLEDs Based on Hybridized Local and Charge-Transfer Emitters Bearing Pyrene as the Structural Unit","Chemical Communications","2019","","","","","10.1039/C9CC02355K","","x-ray","1.54184","CuKα","","0.1135","0.1072","","","0.3161","0.3233","","","","","","2.691","","","","has coordinates","214977","2020-10-21","18:00:00",""
"7123635","8.769","0.0002","17.0752","0.0004","18.1342","0.0003","90","","89.897","0.002","90","","2715.27","0.1","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","1","","Yuan, Yuan; Jia, Minqiang; Zhang, Wanli; Ma, Shengming","Palladium Catalyzed Regioselective Elimination-Hydrocarbonylation of Propargylic Alcohols","Chemical Communications","2019","","","","","10.1039/C9CC03262B","","x-ray","1.54184","CuKα","","0.0759","0.0719","","","0.2203","0.2259","","","","","","1.077","","","","has coordinates","215848","2020-10-21","18:00:00",""
"7123727","37.8547","0.0006","9.37739","0.00014","26.6795","0.0004","90","","97.832","0.0015","90","","9382.3","0.3","100.01","0.1","100.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H46 F3 N8 Nd O5.5 S -","- C47 H46 F3 N8 Nd O5.5 S -","- C376 H368 F24 N64 Nd8 O44 S8 -","8","1","","Ayers, Kaitlynn M.; Schley, Nathan D.; Ung, Gaël","Monometallic lanthanide salicylhydrazone complexes exhibiting strong near-infrared luminescence","Chemical Communications","2019","","","","","10.1039/C9CC03934A","","x-ray","1.54184","CuKα","","0.0552","0.044","","","0.1148","0.1233","","","","","","1.029","","","","has coordinates,has disorder","216582","2020-10-21","18:00:00",""
"7123728","26.8628","0.0004","9.29634","0.00017","37.5992","0.0005","90","","98.6743","0.0013","90","","9282.1","0.3","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H51 Er F3 N8 O6 S -","- C47 H51 Er F3 N8 O6 S -","- C376 H408 Er8 F24 N64 O48 S8 -","8","1","","Ayers, Kaitlynn M.; Schley, Nathan D.; Ung, Gaël","Monometallic lanthanide salicylhydrazone complexes exhibiting strong near-infrared luminescence","Chemical Communications","2019","","","","","10.1039/C9CC03934A","","x-ray","0.71073","MoKα","","0.0445","0.0357","","","0.069","0.0722","","","","","","1.066","","","","has coordinates","216582","2020-10-21","18:00:00",""
"7123884","26.5505","0.0005","17.7159","0.0002","41.6344","0.0005","90","","92.826","0.002","90","","19559.6","0.5","179.99","0.1","179.99","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C96 H108 Cr3 N6 P3 -","- C96 H108 Cr3 N6 P3 -","- C768 H864 Cr24 N48 P24 -","8","1","","Li, Jiapeng; Yin, Jianhao; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis and reactivity of asymmetric Cr(I) dinitrogen complexes supported by cyclopentadienyl-phosphine ligands","Chemical Communications","2019","","","","","10.1039/C9CC02960E","","x-ray","0.71073","MoKα","","0.093","0.0664","","","0.1904","0.209","","","","","","1.043","","","","has coordinates","217134","2020-10-21","18:00:00",""
"7123886","13.1597","0.0002","17.593","0.0002","22.3163","0.0003","90","","95.103","0.001","90","","5146.16","0.12","295","0.1","295","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H62 Cl4 N20 O16 Pd -","- C40 H62 Cl4 N20 O16 Pd -","- C160 H248 Cl16 N80 O64 Pd4 -","4","0.5","","Chen, Ruru; Cao, Minna; Yang, Weiguang; Wang, Huimin; Zhang, Suyuan; Li, Hongfang; Cao, Rong","Ultra-small Pd Nanoparticles Derived from Supramolecular Assembly for Enhanced Electrochemical Reduction of CO2 to CO","Chemical Communications","2019","","","","","10.1039/C9CC02393C","","x-ray","1.54184","CuKα","","0.0503","0.0474","","","0.1452","0.1485","","","","","","1.07","","","","has coordinates","217176","2020-10-21","18:00:00",""
"7124461","18.4632","0.0003","10.6939","0.0002","40.9108","0.0008","90","","101.601","0.0018","90","","7912.6","0.3","100.01","0.11","100.01","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H49 As Fe N2 O4.5 -","- C40 H45 As Fe N2 O4 -","- C320 H360 As8 Fe8 N16 O32 -","8","1","","Ghadwal, Rajendra S.; Sharma, Mahendra; Neumann, Beate; Stammler, Georg; Andrada, Diego M.","Electrophilic terminal arsinidene-iron(0) complexes with a two-coordinated arsenic atom","Chemical Communications","2019","","","","","10.1039/C9CC08630G","","x-ray","0.71073","MoKα","","0.0725","0.0464","","","0.108","0.1192","","","","","","1.036","","","","has coordinates,has disorder","227483","2020-10-21","18:00:00",""
"7124783","22.3944","0.0003","10.7588","0.0002","19.4913","0.0003","90","","105.44","0.002","90","","4526.69","0.13","291","2","291","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C192 H200 N24 O32 -","8","1","","Ren, Shichao; Song, Shengjin; Ye, Lu; Feng, Chao; Loh, Teck-Peng","Copper-catalyzed oxyamination of electron-deficient alkenes with N-acyloxyamines.","Chemical communications (Cambridge, England)","2016","52","68","10373","10376","10.1039/c6cc04638j","","","1.54184","CuKα","","0.0787","0.0707","","","0.1977","0.2049","","","","","","1.055","","","","has coordinates","234224","2020-10-21","18:00:00",""
"7124819","18.301","0.011","6.133","0.003","18.738","0.011","90","","94.032","0.006","90","","2098","2","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","6,6'-Di-tert-butyl-2,2'-biquinoline","","- C26 H28 N2 -","- C26 H28 N2 -","- C104 H112 N8 -","4","0.5","","Stephens, David E.; Lakey-Beitia, Johant; Burch, Jessica E.; Arman, Hadi D.; Larionov, Oleg V.","Mechanistic insights into the potassium tert-butoxide-mediated synthesis of N-heterobiaryls.","Chemical communications (Cambridge, England)","2016","52","64","9945","9948","10.1039/c6cc04816a","","","0.71075","MoKα","","0.076","0.0634","","","0.1402","0.1458","","","","","","1.035","","","","has coordinates","234256","2020-10-21","18:00:00",""
"7124946","29.9091","0.0005","11.0908","0.0002","25.9834","0.0004","90","","108.075","0.002","90","","8193.8","0.3","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C167 H278 Al4 N8 O12 -","- C167 H278 Al4 N8 O12 -","- C334 H556 Al8 N16 O24 -","2","0.25","","McKeown, Paul; Davidson, Matthew G.; Kociok-Köhn, Gabriele; Jones, Matthew D.","Aluminium salalens vs. salans: ""Initiator Design"" for the isoselective polymerisation of rac-lactide.","Chemical communications (Cambridge, England)","2016","52","68","10431","10434","10.1039/c6cc05795k","","x-ray","1.54184","CuKα","","0.0399","0.0368","","","0.0989","0.1017","","","","","","1.021","","","","has coordinates,has disorder","234374","2020-10-21","18:00:00",""
"7124992","14.7088","0.0004","12.8848","0.0003","18.6454","0.0006","90","","102.859","0.003","90","","3445.05","0.17","140","2","140","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","gc_ba1508","","- C24 H24 B2 Br4 Fe N6 O6 -","- C24 H24 B2 Br4 Fe N6 O6 -","- C96 H96 B8 Br16 Fe4 N24 O24 -","4","0.5","","Cecot, Giacomo; Alameddine, Bassam; Prior, Stéphanie; Zorzi, Rita De; Geremia, Silvano; Scopelliti, Rosario; Fadaei, Farzaneh T.; Solari, Euro; Severin, Kay","Large heterometallic coordination cages with gyrobifastigium-like geometry.","Chemical communications (Cambridge, England)","2016","52","75","11243","11246","10.1039/c6cc06066h","","","1.54178","CuKα","","0.0439","0.0429","","","0.1005","0.1011","","","","","","1.043","","","","has coordinates","234412","2020-10-21","18:00:00",""
"7125336","13.1564","0.0005","14.1743","0.0006","20.5373","0.001","90","","93.892","0.005","90","","3821","0.3","295.92","0.1","295.92","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","x-ray","0.71073","MoKα","","0.0643","0.0474","","","0.138","0.1528","","","","","","1.0675","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125428","27.8895","0.0003","6.8639","0.0001","34.3921","0.0003","90","","105.296","0.001","90","","6350.48","0.13","99.99","0.1","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","(E)-8-(2-fluoro-1-iodo-2-phenylvinyl)-4-methyldihydro-4l4,8l4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione","","- C13 H12 B F I N O4 -","- C13 H12 B F I N O4 -","- C208 H192 B16 F16 I16 N16 O64 -","16","2","","Fan, Wen-Xin; Li, Ji-Lin; Lv, Wen-Xin; Yang, Ling; Li, Qingjiang; Wang, Honggen","Synthesis of fluorinated amphoteric organoborons via iodofluorination of alkynyl and alkenyl MIDA boronates.","Chemical communications (Cambridge, England)","2020","56","1","82","85","10.1039/c9cc08386c","","x-ray","1.54184","CuKα","","0.0324","0.031","","","0.082","0.0844","","","","","","1.048","","","","has coordinates","247575","2020-10-21","18:00:00",""
"7125955","37.593","0.0003","10.4555","0.0001","32.1962","0.0003","90","","96.483","0.001","90","","12573.9","0.2","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C32.5 H32 B Cl N6 O2 W -","- C32.5 H32 B Cl N6 O2 W -","- C520 H512 B16 Cl16 N96 O32 W16 -","16","2","","Frogley, Benjamin J.; Hill, Anthony F.; Seitz, Antonia","Bi- and poly(carbyne) functionalised polycyclic aromatics.","Chemical communications (Cambridge, England)","2020","56","22","3265","3268","10.1039/d0cc00786b","","","1.54184","CuKα","","0.0315","0.0295","","","0.0718","0.0732","","","","","","1.08","","","","has coordinates","250159","2020-10-21","18:00:00",""
"7126039","17.1162","0.0016","7.7907","0.0009","42.35","0.005","90","","90.551","0.004","90","","5647","1.1","150","","150","","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H21 N5 O2 S -","- C36 H21 N5 O2 S -","- C288 H168 N40 O16 S8 -","8","1","","Bui, Anh Thy; Philippe, Clotilde; Beau, Maxime; Richy, Nicolas; Cordier, Marie; Roisnel, Thierry; Lemiègre, Loïc; Mongin, Olivier; Paul, Frédéric; Trolez, Yann","Synthesis, characterization and unusual near-infrared luminescence of 1,1,4,4-tetracyanobutadiene derivatives.","Chemical communications (Cambridge, England)","2020","56","24","3571","3574","10.1039/c9cc09560h","","x-ray","0.71073","MoKα","","0.0527","0.0442","","","0.1156","0.123","","","","","","1.042","","","","has coordinates","250155","2020-10-21","18:00:00",""
"7126126","12.3667","0.0001","16.1708","0.0002","15.3924","0.0002","90","","108.863","0.001","90","","2912.85","0.06","170","0.1","170","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H36 O2 -","- C42 H36 O2 -","- C168 H144 O8 -","4","0.5","","Lin, Wei-Bin; He, Dong-Qiang; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Sign inversions of circularly polarized luminescence for helical compounds by chemically fine-tuning operations.","Chemical communications (Cambridge, England)","2020","56","12","1863","1866","10.1039/c9cc08573d","","x-ray","1.54184","CuKα","","0.0439","0.0398","","","0.1032","0.1088","","","","","","1.07","","","","has coordinates","248741","2020-10-21","18:00:00",""
"7126127","12.4619","0.0003","16.5737","0.0004","15.2124","0.0003","90","","103.676","0.002","90","","3052.89","0.12","299.9","0.3","299.9","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C40 H30 Cl2 O2 -","- C40 H30 Cl2 O2 -","- C160 H120 Cl8 O8 -","4","0.5","","Lin, Wei-Bin; He, Dong-Qiang; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng","Sign inversions of circularly polarized luminescence for helical compounds by chemically fine-tuning operations.","Chemical communications (Cambridge, England)","2020","56","12","1863","1866","10.1039/c9cc08573d","","x-ray","1.54184","CuKα","","0.0528","0.048","","","0.1384","0.1445","","","","","","1.093","","","","has coordinates","248741","2020-10-21","18:00:00",""
"7126191","7.5013","0.0004","12.4477","0.0007","23.8886","0.0011","90","","95.423","0.004","90","","2220.6","0.2","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H17 Br2 N3 -","- C28 H17 Br2 N3 -","- C112 H68 Br8 N12 -","4","0.5","","Ishi-I, Tsutomu; Tanaka, Honoka; Park, In Seob; Yasuda, Takuma; Kato, Shin-Ichiro; Ito, Mitsunori; Hiyoshi, Hidetaka; Matsumoto, Taisuke","White-light emission from a pyrimidine-carbazole conjugate with tunable phosphorescence-fluorescence dual emission and multicolor emission switching.","Chemical communications (Cambridge, England)","2020","56","29","4051","4054","10.1039/d0cc00251h","","x-ray","0.71073","MoKα","","0.0448","0.0372","","","0.0819","0.0848","","","","","","1.049","","","","has coordinates","251541","2020-10-21","18:00:00",""
"7126410","16.722","0.004","7.3514","0.0016","20.934","0.004","90","","102.85","0.02","90","","2509","1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","1","","Wang, Ya; Zhou, Yao; Song, Qiuling","[3+1+1] type cyclization of ClCF<sub>2</sub>COONa for the assembly of imidazoles and tetrazoles via in situ generated isocyanides.","Chemical communications (Cambridge, England)","2020","56","45","6106","6109","10.1039/d0cc01919d","","x-ray","0.71073","MoKα","","0.0698","0.0487","","","0.1396","0.1543","","","","","","1.004","","","","has coordinates","253823","2020-10-21","18:00:00",""
"7126731","34.285","0.007","5.934","0.0012","39.22","0.018","90","","104.56","0.03","90","","7723","4","298","2","298","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C216 H131.2 Ag24 O53.6 -","- C216 H120 Ag24 O53.6128 -","- C216 H120 Ag24 O53.6128 -","1","0.125","","Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo","Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.","Chemical communications (Cambridge, England)","2020","56","61","8615","8618","10.1039/d0cc03472j","","","0.7","synchrotron","","0.1264","0.0768","","","0.2134","0.2533","","","","","","0.905","","","","has coordinates","254924","2020-10-21","18:00:00",""
"7126732","33.95","0.007","6.002","0.0012","39.546","0.018","90","","105.22","0.03","90","","7776","4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C279.89 H171.11 Ag24 N12.78 O48 -","- C279.888 H171.11 Ag24 N12.7776 O48 -","- C279.888 H171.11 Ag24 N12.7776 O48 -","1","0.125","","Kim, Dongwook; Seong, Junmo; Han, Seungwan; Baek, Seung Bin; Lah, Myoung Soo","Pore space partition of a fragile Ag(i)-carboxylate framework via post-synthetic linker insertion.","Chemical communications (Cambridge, England)","2020","56","61","8615","8618","10.1039/d0cc03472j","","","0.65","synchrotron","","0.0545","0.0442","","","0.1321","0.1386","","","","","","1.07","","","","has coordinates","254924","2020-10-21","18:00:00",""
"7127057","33.3689","0.0008","22.8121","0.0004","38.3244","0.0009","90","","107.4","0.002","90","","27838.1","1.1","130","1","130","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H50 Cl N5 O2 -","- C36 H50 Cl N5 O2 -","- C1152 H1600 Cl32 N160 O64 -","32","4","","Picci, Giacomo; Kubicki, Maciej; Garau, Alessandra; Lippolis, Vito; Mocci, Rita; Porcheddu, Andrea; Quesada, Roberto; Ricci, Pier Carlo; Scorciapino, M. Andrea; Caltagirone, Claudia","Simple squaramide receptors for highly efficient anion binding in aqueous media and transmembrane transport.","Chemical communications (Cambridge, England)","2020","56","75","11066","11069","10.1039/d0cc04090h","","x-ray","1.54184","CuKα","","0.1319","0.096","","","0.222","0.2398","","","","","","1.008","","","","has coordinates","257259","2020-10-21","18:00:00",""
"7127200","28.3648","0.0005","12.213","0.0001","32.5843","0.0005","90","","111.394","0.002","90","","10510","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","1-BArF","","- C49 H63 B F6 N3 O P2 Rh -","- C49 H63 B F6 N3 O P2 Rh -","- C392 H504 B8 F48 N24 O8 P16 Rh8 -","8","1","","MacNeil, Connor S.; Hsiang, Shou-Jen; Hayes, Paul G.","Reversible dehydrogenation of a primary aryl borane.","Chemical communications (Cambridge, England)","2020","56","82","12323","12326","10.1039/d0cc05503d","","x-ray","0.71073","MoKα","","0.0285","0.0261","","","0.0646","0.0657","","","","","","1.035","","","","has coordinates","260725","2021-01-07","05:01:50",""
"7127619","14.1554","0.0008","9.6976","0.0004","12.0182","0.0006","90","","112.336","0.006","90","","1526","0.15","150","0.3","150","0.3","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 Zr -","- C18 H22 Zr -","- C72 H88 Zr4 -","4","0.5","","Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.","Low-spin 1,1'-diphosphametallocenates of chromium and iron.","Chemical communications (Cambridge, England)","2021","57","5","595","598","10.1039/d0cc06518h","","x-ray","0.71073","MoKα","","0.0383","0.033","","","0.0771","0.0805","","","","","","1.068","","","","has coordinates,has disorder","261536","2021-02-04","22:33:20",""
"7128057","18.408","0.006","23.209","0.007","30.524","0.012","90","","90.126","0.005","90","","13041","8","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C70 H170 Br12 Mn18 N18 O42 -","- C60 H130 Br12 Mn18 N18 O32 -","- C240 H520 Br48 Mn72 N72 O128 -","4","0.5","","Coletta, Marco; Tziotzi, Thomais G.; Gray, Mark; Nichol, Gary S.; Singh, Mukesh K.; Milios, Constantinos J.; Brechin, Euan K.","A [Mn<sub>18</sub>] wheel-of-wheels.","Chemical communications (Cambridge, England)","2021","57","34","4122","4125","10.1039/d1cc00185j","","x-ray","0.6889","Synchrotron","","0.146","0.1166","","","0.3142","0.3477","","","","","","1.085","","","","has coordinates","264889","2021-05-05","08:11:06",""
"7128323","19.7759","0.0005","9.9587","0.0002","37.0968","0.0011","90","","98.741","0.002","90","","7221.1","0.3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H55 B10 N4 O P Si -","- C27 H55 B10 N4 O P Si -","- C216 H440 B80 N32 O8 P8 Si8 -","8","1","","Xiong, Yun; Yao, Shenglai; Ruzicka, Ales; Driess, Matthias","Distinctly different reactivity of bis(silylenyl)-<i>versus</i> phosphanyl-silylenyl-substituted <i>o</i>-dicarborane towards O<sub>2</sub>, N<sub>2</sub>O and CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2021","57","48","5965","5968","10.1039/d1cc01939b","","","1.54184","CuKα","","0.062","0.0448","","","0.1135","0.1277","","","","","","1.02","","","","has coordinates","267035","2021-07-05","16:20:54",""
"7128359","24.7909","0.0008","14.7339","0.0004","22.7185","0.0008","90","","101.23","0.003","90","","8139.4","0.5","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C336 H384 N48 -","8","1","","He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I.","Creating porosity in a trianglimine macrocycle by heterochiral pairing.","Chemical communications (Cambridge, England)","2021","57","50","6141","6144","10.1039/d1cc01650d","","x-ray","0.71073","MoKα","","0.1002","0.0628","","","0.1346","0.1503","","","","","","1.042","","","","has coordinates","267024","2021-07-05","16:18:52",""
"7128475","14.1676","0.0019","21.601","0.003","23.423","0.004","90","","94.248","0.013","90","","7148.5","1.8","293","","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H60 Cl N2 O4 S -","- C32 H60 Cl N2 O4 S -","- C256 H480 Cl8 N16 O32 S8 -","8","1","","Kodama, Yuki; Imai, Saki; Fujimoto, Junko; Sato, Kohei; Mase, Nobuyuki; Narumi, Tetsuo","Stereoselective synthesis of highly functionalized (<i>Z</i>)-chloroalkene dipeptide isosteres containing an α,α-disubstituted amino acid.","Chemical communications (Cambridge, England)","2021","57","56","6915","6918","10.1039/d1cc02952e","","x-ray","0.71073","MoKα","","0.1362","0.0619","","","0.1515","0.1905","","","","","","1.017","","","","has coordinates,has disorder","268520","2021-09-06","09:07:02",""
"7128525","27.124","0.003","7.6958","0.0015","16.5624","0.0016","90","","92.951","0.011","90","","3452.7","0.8","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C152 H144 N16 O24 S8 -","8","1","","Hu, Weican; Zhang, Feiyang; Chen, Chen; Qi, Tianhang; Shen, Yanlong; Qian, Guoying; Rong, Zhouting","Metal-free C8-H functionalization of quinoline <i>N</i>-oxides with ynamides.","Chemical communications (Cambridge, England)","2021","57","57","6995","6998","10.1039/d1cc02138a","","x-ray","0.71073","MoKα","","0.1497","0.1076","","","0.2587","0.2998","","","","","","1.0482","","","","has coordinates","268542","2021-09-06","09:11:50",""
"7128661","10.1241","0.0001","13.5556","0.0002","34.2865","0.0004","90","","98.111","0.001","90","","4658.35","0.1","99.99","0.13","99.99","0.13","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H19 F6 O6 P -","- C23 H19 F6 O6 P -","- C184 H152 F48 O48 P8 -","8","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Ivkova, Gulnara A.; Khayarov, Khasan R.; Islamov, Daut R.; Litvinov, Igor A.","The formation of cage phosphoranes and their rearrangements in the reactions of substituted 2-(3-oxo-3-phenyl)ethoxybenzo[d]-1,3,2-dioxaphospholes with perfluorodiacetyl.","Chemical communications (Cambridge, England)","2021","57","68","8516","8519","10.1039/d1cc02941j","","x-ray","1.54184","CuKα","","0.0377","0.035","","","0.091","0.0928","","","","","","1.056","","","","has coordinates","268564","2021-09-06","09:29:23",""
"7128664","20.9197","0.0003","13.80583","0.00017","34.4091","0.0006","90","","90.7607","0.0014","90","","9936.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C41 H46 B Br Cl3 N8 O2 Pt W -","- C38 H45 B Br N8 O2 Pt W -","- C304 H360 B8 Br8 N64 O16 Pt8 W8 -","8","1","","Burt, Liam K.; Hill, Anthony F.","Construction of an iminoketenylidene.","Chemical communications (Cambridge, England)","2021","57","68","8480","8483","10.1039/d1cc03310g","","x-ray","1.54184","CuKα","","0.0427","0.0341","","","0.0802","0.0865","","","","","","1.04","","","","has coordinates","268559","2021-09-06","09:18:47",""
"7129049","15.8169","0.0018","16.0922","0.0013","23.146","0.002","90","","105.329","0.013","90","","5681.7","1","293","2","293.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C232 H248 N24 O48 -","8","1","","Li, Haizhen; Wu, Jinyu; Zheng, Jianfeng; Li, Wei-Dong Z","Synthesis of polycyclic spiroindolines <i>via</i> the cascade reaction of 3-(2-isocyanoethyl)indoles.","Chemical communications (Cambridge, England)","2021","57","84","11092","11095","10.1039/d1cc04576h","","x-ray","0.71073","MoKα","","0.1098","0.0639","","","0.167","0.1906","","","","","","1.049","","","","has coordinates,has disorder","270390","2021-11-06","18:56:09",""
"7129062","17.626","0.003","16.38","0.003","24.678","0.006","90","","95.021","0.005","90","","7098","2","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C70 H54 B2 F14 N6 -","- C70 H54 B2 F14 N6 -","- C280 H216 B8 F56 N24 -","4","0.5","","Kalaiselvan, Arumugam; Dhamija, Shaina; Aswathi, Chakrapani; De, Arijit K.; Gokulnath, Sabapathi","Planar hexaphyrin-like macrocycles turning into bis-BODIPYs with box-shaped structures exhibiting excitonic coupling.","Chemical communications (Cambridge, England)","2021","57","87","11485","11488","10.1039/d1cc04403f","","","0.71073","MoKα","","0.1175","0.063","","","0.1631","0.2088","","","","","","1.035","","","","has coordinates,has disorder","270393","2021-11-06","18:57:24",""
"7129123","21.7877","0.0002","12.66021","0.00012","37.743","0.0004","90","","99.9129","0.001","90","","10255.5","0.18","140","0.1","140","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C58 H72 N4 O2 -","- C58 H72 N4 O2 -","- C464 H576 N32 O16 -","8","1","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0525","0.0448","","","0.1164","0.1232","","","","","","1.029","","","","has coordinates,has disorder","270399","2021-11-06","19:00:07",""
"7129128","16.825","0.0004","8.93762","0.00018","21.4865","0.0004","90","","108.212","0.002","90","","3069.19","0.12","140","0.1","140.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29 H36 N2 O -","- C29 H36 N2 O -","- C116 H144 N8 O4 -","4","0.5","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","","1.54184","CuKα","","0.0493","0.0379","","","0.1002","0.1035","","","","","","0.996","","","","has coordinates,has disorder","270399","2021-11-06","19:00:07",""
"7129175","32.2388","0.0004","19.0842","0.0002","28.254","0.0004","90","","118.549","0.002","90","","15269.7","0.4","123","0.1","123","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C125.67 H148.5 Cu4 N17.17 O54.67 S4 -","- C125.666 H141.499 Cu4 N17.1666 O54.6666 S4 -","- C502.666 H565.998 Cu16 N68.6664 O218.666 S16 -","4","0.5","","Walker, Samuel Edward; Boer, Stephanie A.; Malcomson, Thomas; Paterson, Martin J.; Tuck, Kellie; Turner, David Roger","Steric Control of Sorting Regimes in Self-Assembled Cages","Chemical Communications","2021","","","","","10.1039/D1CC05610G","","x-ray","1.54184","CuKα","","0.0732","0.0698","","","0.2041","0.2079","","","","","","1.023","","","","has coordinates,has disorder","270178","2021-10-30","21:56:12",""
"7129397","16.3616","0.0018","17.7703","0.0019","16.512","0.002","90","","118.958","0.004","90","","4200.6","0.8","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C48 H52 B4 Li2 N2 -","- C48 H52 B4 Li2 N2 -","- C192 H208 B16 Li8 N8 -","4","0.5","","Brown, W. Kice; Klausmeyer, Kevin; Lindley, Brian M.","Unlocking Metal Coordination of Diborylamides through Ring Constraints","Chemical Communications","2022","","","","","10.1039/D1CC06458D","","","0.71073","MoKα","","0.0687","0.0645","","","0.1721","0.1752","","","","","","1.119","","","","has coordinates","271480","2021-12-16","22:56:03",""
"7129515","23.3817","0.0002","17.4664","0.0001","36.1","0.0003","90","","108.372","0.001","90","","13991.6","0.2","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C59 H99 Al2 N4 O2 Rb2 Si4 -","- C59 H99 Al2 N4 O2 Rb2 Si4 -","- C472 H792 Al16 N32 O16 Rb16 Si32 -","8","1","","Gentner, Thomas X.; Evans, Matthew J.; Kennedy, Alan R.; Neale, Sam E.; McMullin, Claire L.; Coles, Martyn P.; Mulvey, Robert E.","Rubidium and caesium aluminyls: synthesis, structures and reactivity in C–H bond activation of benzene","Chemical Communications","2022","","","","","10.1039/D1CC05379E","","","1.54184","CuKα","","0.0462","0.0444","","","0.1183","0.1198","","","","","","1.09","","","","has coordinates","271942","2022-01-07","22:50:49",""
"7129516","23.57265","0.00017","17.60387","0.00009","36.1042","0.0002","90","","108.725","0.0008","90","","14189.2","0.16","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C59 H99 Al2 Cs2 N4 O2 Si4 -","- C59 H99 Al2 Cs2 N4 O2 Si4 -","- C472 H792 Al16 Cs16 N32 O16 Si32 -","8","1","","Gentner, Thomas X.; Evans, Matthew J.; Kennedy, Alan R.; Neale, Sam E.; McMullin, Claire L.; Coles, Martyn P.; Mulvey, Robert E.","Rubidium and caesium aluminyls: synthesis, structures and reactivity in C–H bond activation of benzene","Chemical Communications","2022","","","","","10.1039/D1CC05379E","","","1.54184","CuKα","","0.059","0.0581","","","0.1619","0.1633","","","","","","1.056","","","","has coordinates","271942","2022-01-07","22:50:50",""
"7129640","19.891","0.004","9.6242","0.0019","29.836","0.012","90","","95.97","0.03","90","","5681","3","295","2","295","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H26 Br O2 P -","- C36 H26 Br O2 P -","- C288 H208 Br8 O16 P8 -","8","1","","Xie, Xiao-Yu; Xu, Yun-Fang; Li, Yang; Wang, Xiao-Dong; Zhu, Jie; Wu, Lei","Radical Modulated Regioselective Difunctionalization of Vinyl Enynes: Tunable Access to Naphthalen-1(2H)-ones and Allenic Alcohols","Chemical Communications","2022","","","","","10.1039/D1CC06994B","","","0.71073","MoKα","","0.0623","0.0429","","","0.093","0.1007","","","","","","1.049","","","","has coordinates","272355","2022-01-31","22:50:49",""
"7129997","21.2605","0.0002","17.6178","0.0001","20.1094","0.0002","90","","104.83","0.001","90","","7281.34","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C62 H91 N5 O19 V6 -","- C62 H91 N5 O19 V6 -","- C248 H364 N20 O76 V24 -","4","0.5","","Fertig, Alex A.; Cooney, Shannon E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Mechanistic Insight into Rapid Oxygen-Atom Transfer from a Calix-Functionalized Polyoxovanadate","Chemical Communications","2022","","","","","10.1039/D2CC01228F","","x-ray","1.54184","CuKα","","0.0447","0.0428","","","0.1284","0.1302","","","","","","1.08","","","","has coordinates,has disorder","274602","2022-04-20","21:54:05",""
"7130302","27.0624","0.0013","15.1465","0.0004","25.3866","0.0013","90","","121.506","0.007","90","","8872","0.9","173","0.14","173","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C95 H114 Mg2 N8 -","- C90 H102 Mg2 N8 -","- C360 H408 Mg8 N32 -","4","0.5","","Rekhroukh, Feriel; Zhang, Linxing; Kong, Richard Y.; White, Andrew J. P.; Crimmin, Mark Richard","Stereoselective Insertion of Cyclopropenes into Mg–Mg Bonds","Chemical Communications","2022","","","","","10.1039/D2CC02931F","","x-ray","1.54184","CuKα","","0.0993","0.0612","","","0.1525","0.1836","","","","","","1.017","","","","has coordinates","276369","2022-06-28","21:55:46",""
"7130502","18.98","0.0003","10.2291","0.0001","31.7739","0.0003","90","","101.418","0.001","90","","6046.76","0.13","110","0.1","110","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C37.5 H31 Au Cl O P -","- C37.5 H31 Au Cl O P -","- C300 H248 Au8 Cl8 O8 P8 -","8","1","","Maltz, Logan T.; Wilkins, Lewis C.; Gabbaï, François P.","Augmenting metallobasicity to modulate gold hydrogen bonding","Chemical Communications","2022","","","","","10.1039/D2CC03328C","","x-ray","0.71073","MoKα","","0.0656","0.033","","","0.0696","0.0831","","","","","","1.059","","","","has coordinates,has disorder","277169","2022-08-09","21:45:00",""
"7130543","18.8169","0.0006","6.4663","0.0002","22.5305","0.0007","90","","96.669","0.003","90","","2722.87","0.15","100.1","0.2","100.1","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H16 F6 N P -","- C12 H16 F6 N P -","- C96 H128 F48 N8 P8 -","8","1","","Soltau, Carl P.; Brown, Zachary; Brock, Aidan J.; Martyn, Alexander P.; Blinco, James P.; Miljevic, Branka; McMurtrie, John C.; Bottle, Steven E.","Reactions of Sulfoxides with Reactive Oxygen Species to Reveal the Radical Chemistry of Pollution-Derived Particulate Matter","Chemical Communications","2022","","","","","10.1039/D2CC04024G","","x-ray","0.56087","AgKα","","0.0406","0.0372","","","0.1046","0.1073","","","","","","1.062","","","","has coordinates","277282","2022-08-17","21:56:33",""
"7130640","20.9505","0.0004","15.47","0.0003","22.5791","0.0004","90","","92.0326","0.0015","90","","7313.4","0.2","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H58 Al Fe N2 P3 -","- C32 H58 Al Fe N2 P3 -","- C256 H464 Al8 Fe8 N16 P24 -","8","1","","Gorgas, Nikolaus; White, Andrew J. P.; Crimmin, Mark Richard","Diverse Reactivity of an Iron–Aluminium Complex with Substituted Pyridines","Chemical Communications","2022","","","","","10.1039/D2CC04498F","","","1.54184","CuKα","","0.0618","0.0487","","","0.1193","0.129","","","","","","1.027","","","","has coordinates,has disorder","277602","2022-09-02","21:58:03",""
"7130690","25.2847","0.0005","13.3933","0.0003","28.4487","0.0005","90","","92.09","0.002","90","","9627.6","0.3","150","0.1","150","0.1","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C43 H45 B F6 N6 O2 P2 S W -","- C43 H45 B F5.9972 N6 O2 P2 S W -","- C344 H360 B8 F47.9776 N48 O16 P16 S8 W8 -","8","1","","Burt, Liam K.; Hill, Anthony F.; Jones, Stephanie L.","Thiocarbonylphosphorane and arsorane ligands.","Chemical communications (Cambridge, England)","2022","58","79","11091","11094","10.1039/d2cc03747e","","x-ray","1.54184","CuKα","","0.0675","0.0636","","","0.1681","0.1734","","","","","","1.017","","","","has coordinates,has disorder","278395","2022-10-07","00:39:05",""
"7130862","15.82548","0.00014","11.13928","0.0001","24.2701","0.0002","90","","102.231","0.0009","90","","4181.33","0.06","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H68 B2 O5 Si4 -","- C32 H68 B2 O5 Si4 -","- C128 H272 B8 O20 Si16 -","4","0.5","","Stefanowska, Kinga; Sokolnicki, Tomasz; Walkowiak, Jędrzej; Czapik, Agnieszka; Franczyk, Adrian","Directed <i>cis</i>-hydrosilylation of borylalkynes to borylsilylalkenes.","Chemical communications (Cambridge, England)","2022","58","86","12046","12049","10.1039/d2cc04318a","","","1.54184","CuKα","","0.044","0.0376","","","0.1051","0.1114","","","","","","1.045","","","","has coordinates","278960","2022-11-07","05:06:46",""
"7130874","31.99","0.003","18.5196","0.0012","28.075","0.002","90","","114.492","0.011","90","","15136","2","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C132 H90 F24 Fe4 N26 O24 S8 -","- C132 H90 F24 Fe4 N26 O24 S8 -","- C528 H360 F96 Fe16 N104 O96 S32 -","4","0.5","","Taylor, Lauren L. K.; Andrews, Rebecca; Sung, April C. Y.; Vitorica-Yrezabal, Iñigo J.; Riddell, Imogen A.","Synthesis and characterisation of an integratively self-sorted [Fe4L6]8+ tetrahedron","Chemical Communications","2022","","","","","10.1039/D2CC04624E","","x-ray","0.71073","MoKα","","0.2015","0.1348","","","0.3475","0.3981","","","","","","1.28","","","","has coordinates,has disorder","278628","2022-10-18","21:59:29",""
"7131137","19.2318","0.0002","8.2286","0.0001","24.0575","0.0002","90","","94.689","0.001","90","","3794.38","0.07","100","0.16","100","0.16","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H23 N O7 S -","- C18 H23 N O7 S -","- C144 H184 N8 O56 S8 -","8","1","","Michalska, Weronika Z.; Halcovitch, Nathan R.; Coote, Susannah C.","Synthesis of functionalized spirocyclic oxetanes through Paternò-Büchi reactions of cyclic ketones and maleic acid derivatives.","Chemical communications (Cambridge, England)","2023","59","6","784","787","10.1039/d2cc06459f","","x-ray","1.54184","CuKα","","0.0361","0.0356","","","0.0958","0.0962","","","","","","1.079","","","","has coordinates","283042","2023-05-05","00:11:06",""
"7131384","21.0388","0.0002","5.2261","0.0001","26.343","0.0004","90","","102.12","0.001","90","","2831.87","0.07","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Carbamazapine-34dihydroxybenzoic acid hydrate cocrystal","","- C16.75 H14.25 N2 O2.5 -","- C16.75 H14.25 N2 O2.5 -","- C134 H114 N16 O20 -","8","1","","Rajbongshi, Trishna; Sarmah, Kashyap Kumar; Das, Susobhan; Deka, Poonam; Saha, Arijit; Saha, Binoy K.; Puschmann, Horst; Reddy, C. Malla; Thakuria, Ranjit","Non-stoichiometric carbamazepine cocrystal hydrates of 3,4-/3,5-dihydroxybenzoic acids: coformer-water exchange.","Chemical communications (Cambridge, England)","2023","59","26","3902","3905","10.1039/d2cc06860e","","","1.54184","CuKα","","0.048","0.045","","","0.1112","0.1132","","","","","","1.069","","","","has coordinates,has disorder","282275","2023-04-04","09:51:35",""
"7131385","21.29468","0.00018","5.12107","0.00005","26.6635","0.0002","90","","103.546","0.0009","90","","2826.81","0.04","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Carbamazapine-35dihydroxybenzoic acid hydrate cocrystal","","- C8.2 H7.1 N O1.3 -","- C8.2 H7.1 N O1.3 -","- C131.2 H113.6 N16 O20.8 -","16","2","","Rajbongshi, Trishna; Sarmah, Kashyap Kumar; Das, Susobhan; Deka, Poonam; Saha, Arijit; Saha, Binoy K.; Puschmann, Horst; Reddy, C. Malla; Thakuria, Ranjit","Non-stoichiometric carbamazepine cocrystal hydrates of 3,4-/3,5-dihydroxybenzoic acids: coformer-water exchange.","Chemical communications (Cambridge, England)","2023","59","26","3902","3905","10.1039/d2cc06860e","","","1.54184","CuKα","","0.0495","0.0471","","","0.1299","0.1324","","","","","","1.091","","","","has coordinates,has disorder","282275","2023-04-04","09:51:35",""
"7131644","8.0242","0.0001","30.1775","0.0004","13.9999","0.0002","90","","105.072","0.002","90","","3273.46","0.08","160","1","160","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C41 H36 Cl2 O4 -","- C41 H36 Cl2 O4 -","- C164 H144 Cl8 O16 -","4","0.5","","Čavlović, Daniel; Blacque, Olivier; Krummenacher, Ivo; Braunschweig, Holger; Ravat, Prince; Juríček, Michal","Dimethylnonacethrene - <i>en route</i> to a magnetic switch.","Chemical communications (Cambridge, England)","2023","59","50","7743","7746","10.1039/d3cc01301d","","x-ray","1.54184","CuKα","","0.0669","0.0651","","","0.1836","0.1853","","","","","","1.078","","","","has coordinates,has disorder","284851","2023-07-05","08:55:55",""
"7131870","23.497","0.0006","7.693","0.0002","25.2904","0.0007","90","","115.156","0.003","90","","4138","0.2","233","0.1","233","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C26 H19 Cl N2 O2 -","- C26 H19 Cl N2 O2 -","- C208 H152 Cl8 N16 O16 -","8","1","","Cheng, Xiuliang; He, Yuhang; Song, Silin; Lin, Yu-Mei; Gong, Lei","A transition metal- and photosensitizer-free approach for site-selective (hetero)arylation of polychlorinated heteroarenes","Chemical Communications","2023","","","","","10.1039/D3CC02968A","","x-ray","1.54184","CuKα","","0.0609","0.0418","","","0.1002","0.1097","","","","","","1.103","","","","has coordinates","285156","2023-07-11","22:01:37",""
"7132007","24.2143","0.0018","6.3478","0.0006","29.627","0.002","90","","108.824","0.008","90","","4310.3","0.6","153","2","153","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C47 H36 Cu F10 N4 Si2 -","- C42 H26 Cu F10 N4 Si2 -","- C168 H104 Cu4 F40 N16 Si8 -","4","0.5","","Peng, Xinyang; Han, Jinxiu; Li, Xialiang; Liu, Guijun; Xu, Yuhan; Peng, Yuxin; Nie, Shuai; Li, Wenzi; Li, Xinrui; Chen, Zhuo; Peng, Haonan; Cao, Rui; Fang, Yu","Electrocatalytic hydrogen evolution media with a copper porphyrin bearing meso-(o-carborane) substituents","Chemical Communications","2023","","","","","10.1039/D3CC03104G","","","0.71073","MoKα","","0.043","0.041","","","0.1206","0.1221","","","","","","1.111","","","","has coordinates,has disorder","285572","2023-08-07","21:57:33",""
"7132047","12.1542","0.0005","10.6118","0.0003","13.9023","0.0005","90","","107.303","0.004","90","","1711.94","0.11","123","2","123","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C20 H10 S5 -","- C20 H10 S5 -","- C80 H40 S20 -","4","0.5","","Nagase, Mai; Nakano, Sachiko; Segawa, Yasutomo","Synthesis of penta- and hexa(3,4-thienylene): Size-dependent structural properties of cyclic oligothiophenes","Chemical Communications","2023","","","","","10.1039/D3CC03508E","","x-ray","0.71073","MoKα","","0.0358","0.0319","","","0.0805","0.0833","","","","","","1.072","","","","has coordinates","285850","2023-08-23","21:57:04",""
"7132048","13.6292","0.001","12.2216","0.0005","14.3297","0.0012","90","","117.598","0.01","90","","2115.3","0.3","123","2","123","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C24 H12 S6 -","- C24 H12 S6 -","- C96 H48 S24 -","4","0.5","","Nagase, Mai; Nakano, Sachiko; Segawa, Yasutomo","Synthesis of penta- and hexa(3,4-thienylene): Size-dependent structural properties of cyclic oligothiophenes","Chemical Communications","2023","","","","","10.1039/D3CC03508E","","x-ray","0.71073","MoKα","","0.0547","0.0407","","","0.1036","0.1127","","","","","","1.03","","","","has coordinates","285850","2023-08-23","21:57:05",""
"7132068","22.915","0.0017","5.08","0.0003","27.5806","0.0019","90","","106.035","0.007","90","","3085.7","0.4","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C17 H9 F8 N -","- C17 H9 F8 N -","- C136 H72 F64 N8 -","8","1","","Zhou, Yuyang; Doi, Ryohei; Ogoshi, Sensuke","Difluoromethylene Insertion into Fluoroalkyl Copper Complexes","Chemical Communications","2023","","","","","10.1039/D3CC03481J","","","1.54184","CuKα","","0.0685","0.0526","","","0.1465","0.1598","","","","","","1.042","","","","has coordinates","285908","2023-08-30","21:57:11",""
"7132105","16.4049","0.0003","8.66607","0.00017","26.3242","0.0006","90","","100.968","0.002","90","","3674.05","0.13","293.29","0.1","293.29","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C160 H160 O48 -","8","1","","Wang, Yi-Lin; Lei, Xin-Xin; Jin, Xin-Chen; Zhang, Xin-Yu; Xu, Peng-Fei; Luo, Yong-Chun","Sc(OTf)<sub>3</sub> catalyzed intramolecular single-electron transfer of 2-alkyl-1,4-benzoquinones: synthesis of 6-chromanols from donor-acceptor cyclopropanes.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02988c","","x-ray","1.54184","CuKα","","0.0558","0.0495","","","0.1335","0.1393","","","","","","1.061","","","","has coordinates","286203","2023-09-05","21:56:22",""
"7132354","27.9297","0.001","12.439","0.0004","41.634","0.002","90","","104.717","0.005","90","","13989.8","1","173","0.14","173","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35.5 H50.6 Al N2 O S -","- C34 H47 Al N2 O S -","- C544 H752 Al16 N32 O16 S16 -","16","2","","McMullen, Jacob; White, Andrew J. P.; Crimmin, Mark Richard","Ring-Expansion and Desulfurisation of Thiophenes with an Aluminium(I) Reagent","Chemical Communications","2023","","","","","10.1039/D3CC04594C","","x-ray","1.54184","CuKα","","0.0753","0.0513","","","0.1207","0.1407","","","","","","1.024","","","","has coordinates","287653","2023-11-16","22:56:22",""
"7132390","11.6169","0.0004","15.6243","0.0006","23.3222","0.0012","90","","94.169","0.004","90","","4221.9","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H17 N2 O3 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","1","","Zhu, Zhi-Qiang; Hu, Jia-Yu; Xie, Zong-Bo; Le, Zhang-Gao","Visible-light-enabled cascade cross-dehydrogenative-coupling/cyclization to construct α-chromone substituted α-amino acid derivatives.","Chemical communications (Cambridge, England)","2023","60","1","106","109","10.1039/d3cc04107g","","x-ray","1.54184","CuKα","","0.1281","0.1168","","","0.3166","0.332","","","","","","1.272","","","","has coordinates","289323","2024-02-04","11:01:27",""
"7132416","13.086","0.0012","12.9848","0.0009","25.954","0.003","90","","98.818","0.01","90","","4358","0.7","143","","143","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Ir2tpy2Cl2AN2PF6","","- C19 H17 Cl F6 Ir N5 P -","- C19 H17 Cl F6 Ir N5 P -","- C152 H136 Cl8 F48 Ir8 N40 P8 -","8","1","","Shimauchi, Daiki; Yatabe, Takeshi; Ikesue, Yuka; Kajiwara, Yuu; Koide, Taro; Ando, Tatsuya; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji","Storing electrons from H<sub>2</sub> for transfer to CO<sub>2</sub>, all at room temperature.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc05285k","","x-ray","0.71073","MoKα","","0.0868","0.0487","","","0.085","0.0976","","","","","","1.023","","","","has coordinates","287858","2023-11-29","22:59:04",""
"7132417","14.1369","0.0005","12.5428","0.0004","22.7604","0.0007","90","","100.974","0.003","90","","3962","0.2","143","","143","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","IrtpyMeester","","- C19 H18 Cl Ir N4 O3 -","- C19 H18 Cl Ir N4 O3 -","- C152 H144 Cl8 Ir8 N32 O24 -","8","1","","Shimauchi, Daiki; Yatabe, Takeshi; Ikesue, Yuka; Kajiwara, Yuu; Koide, Taro; Ando, Tatsuya; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji","Storing electrons from H<sub>2</sub> for transfer to CO<sub>2</sub>, all at room temperature.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc05285k","","x-ray","0.71073","MoKα","","0.043","0.0277","","","0.0566","0.0597","","","","","","1.032","","","","has coordinates","287858","2023-11-29","22:59:05",""
"7132423","20.8975","0.0008","9.037","0.0002","31.2449","0.0014","90","","108.922","0.005","90","","5581.8","0.4","170","0.1","170","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H25 Br2 N3 O4 S -","- C30 H25 Br2 N3 O4 S -","- C240 H200 Br16 N24 O32 S8 -","8","1","","Feng, Guang-Chao; Li, Jun-Chi; Huang, Xiang; Liu, Ji-Kai; Wu, Bin; Yang, Jin-Ming","Cascade hydroarylation/Diels-Alder cycloaddition of alkynylindoles with electron-deficient alkynes and alkenes.","Chemical communications (Cambridge, England)","2024","60","3","328","331","10.1039/d3cc05210a","","x-ray","1.54184","CuKα","","0.0889","0.0558","","","0.1267","0.1434","","","","","","1.026","","","","has coordinates","289390","2024-02-04","11:24:12",""
"7132483","17.8761","0.0003","13.6323","0.0003","15.8821","0.0003","90","","102.083","0.002","90","","3784.6","0.13","100.01","0.12","100.01","0.12","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H52 Co2 N4 S4 -","- C40 H52 Co2 N4 S4 -","- C160 H208 Co8 N16 S16 -","4","0.5","","Jana, Manish; Quiroz, Manuel; Darensbourg, Marcetta Y.","A single carbon atom controls the geometry and reactivity of Co<sup>II</sup>(N<sub>2</sub>S<sub>2</sub>) complexes.","Chemical communications (Cambridge, England)","2024","60","9","1128","1131","10.1039/d3cc05394f","","x-ray","1.54184","CuKα","","0.0518","0.0435","","","0.095","0.0988","","","","","","1.076","","","","has coordinates","289374","2024-02-04","11:20:02",""
"7132498","23.8864","0.0001","12.6825","0.0001","36.1057","0.0002","90","","95.522","0.001","90","","10887.1","0.12","100","2","99.99","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C60 H74 Ag B2 Cl N5 -","- C60 H74 Ag B2 Cl N5 -","- C480 H592 Ag8 B16 Cl8 N40 -","8","1","","Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger","Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.","Chemical communications (Cambridge, England)","2024","60","9","1120","1123","10.1039/d3cc05477b","","","1.54184","CuKα","","0.0396","0.0366","","","0.0969","0.0988","","","","","","1.042","","","","has coordinates,has disorder","289379","2024-02-04","11:22:10",""
"7132523","13.879","0.005","12.595","0.004","27.719","0.012","90","","102.35","0.04","90","","4733","3","313.11","0.1","313.11","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C49 H44 N8 O8 -","- C49 H44 N8 O8 -","- C196 H176 N32 O32 -","4","0.5","","Muang-Non, Phonlakrit; Zhou, Carmen; Macreadie, Lauren K.; White, Nicholas G.","Hydrogen-bonded frameworks containing aliphatic 3D linkers show high-capacity water vapour sorption.","Chemical communications (Cambridge, England)","2024","60","6","746","749","10.1039/d3cc05286a","","x-ray","1.54184","CuKα","","0.1789","0.1102","","","0.2598","0.3184","","","","","","0.928","","","","has coordinates","289357","2024-02-04","11:13:36",""
"7132524","11.6434","0.0003","16.4405","0.0005","26.1717","0.0008","90","","96.002","0.002","90","","4982.4","0.3","149.99","0.1","149.99","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C49 H44 N8 O8 -","- C49 H44 N8 O8 -","- C196 H176 N32 O32 -","4","0.5","","Muang-Non, Phonlakrit; Zhou, Carmen; Macreadie, Lauren K.; White, Nicholas G.","Hydrogen-bonded frameworks containing aliphatic 3D linkers show high-capacity water vapour sorption.","Chemical communications (Cambridge, England)","2024","60","6","746","749","10.1039/d3cc05286a","","x-ray","1.54184","CuKα","","0.0989","0.0856","","","0.2519","0.2652","","","","","","1.043","","","","has coordinates,has disorder","289357","2024-02-04","11:13:36",""
"7132639","24.18452","0.00019","11.44862","0.00012","68.9173","0.0007","90","","90.4985","0.0008","90","","19081.1","0.3","100","2","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C54 H72 B2 N4 Si -","- C54 H72 B2 N4 Si -","- C864 H1152 B32 N64 Si16 -","16","2","","Brückner, Tobias; Duwe, Dario; Fantuzzi, Felipe; Heß, Merlin; Dewhurst, Rian D.; Radacki, Krzysztof; Braunschweig, Holger","Hydrosilylation of BB triple bonds: catalyst- and reductant-free construction of B-Si bonds and B<sub>2</sub>Si heterocycles.","Chemical communications (Cambridge, England)","2024","60","24","3259","3262","10.1039/d4cc00141a","","","1.54184","CuKα","","0.0634","0.0546","","","0.137","0.1427","","","","","","1.072","","","","has coordinates,has disorder","290814","2024-04-04","22:29:12",""
"7132813","18.5653","0.0004","6.3699","0.0001","23.6434","0.0005","90","","108.817","0.002","90","","2646.61","0.1","150","0.2","150","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H18 Cl N O -","- C14 H18 Cl N O -","- C112 H144 Cl8 N8 O8 -","8","1","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0668","0.0607","","","0.1564","0.1619","","","","","","1.051","","","","has coordinates","290802","2024-04-04","22:26:15",""
"7132841","10.1083","0.0001","14.7871","0.0002","22.9034","0.0002","90","","91.199","0.001","90","","3422.68","0.06","100","0.16","100","0.16","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C160 H208 O32 -","8","1","","Koyama, Ryosei; Anada, Masahiro; Sueki, Shunsuke; Makino, Kosho; Kojima, Tatsuhiro; Kawasaki-Takasuka, Tomoko; Mori, Keiji","Divergent synthesis of multi-substituted phenanthrenes <i>via</i> an internal redox reaction/ring expansion sequence.","Chemical communications (Cambridge, England)","2024","60","28","3822","3825","10.1039/d4cc00797b","","x-ray","1.54184","CuKα","","0.0371","0.0352","","","0.0883","0.0899","","","","","","1.081","","","","has coordinates","290804","2024-04-04","22:26:36",""
"7132888","7.6531","0.0005","20.7577","0.001","37.5707","0.0013","90","","92.335","0.004","90","","5963.6","0.5","170","0.12","170","0.12","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C58 H46 O10 -","- C58 H46 O10 -","- C232 H184 O40 -","4","0.5","","Zhang, Qiaoyu; Luo, Guiwen; Hu, Rui; Yang, Guoqiang; Chen, Jinping; Yu, Tianjun; Zeng, Yi; Li, Yi","Crystalline hydrogen-bonded organic framework for air-tolerant triplet-triplet annihilation upconversion.","Chemical communications (Cambridge, England)","2024","60","33","4475","4478","10.1039/d4cc00742e","","x-ray","1.54184","CuKα","","0.1547","0.1253","","","0.3384","0.3691","","","","","","1.419","","","","has coordinates","291529","2024-05-05","01:01:04",""
"7132946","30.8326","0.0016","13.5754","0.0007","31.1005","0.0015","90","","106.96","0.006","90","","12451.4","1.2","169.98","0.1","169.98","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C81.46 H39.92 Cl0.92 N9 O6 -","- C81.461 H39.922 Cl0.922 N9 O6 -","- C651.688 H319.376 Cl7.376 N72 O48 -","8","1","","Zhang, Fan; Du, Xu-Sheng; Song, Kui-Zhu; Han, Ying; Lu, Hai-Yan; Chen, Chuan-Feng","A calix[3]carbazole-based cavitand: synthesis, structure and its complexation with fullerenes.","Chemical communications (Cambridge, England)","2024","60","37","4962","4965","10.1039/d4cc00928b","","x-ray","1.54184","CuKα","","0.1954","0.121","","","0.274","0.3023","","","","","","1.532","","","","has coordinates,has disorder","291506","2024-05-05","00:46:15",""
"7132975","15.6096","0.0003","16.4461","0.0003","16.1674","0.0003","90","","96.743","0.001","90","","4121.74","0.13","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C208 H160 N16 O24 -","8","1","","Zhao, Shuang; Chen, Mengxiao; Zhou, Wenlu; Ni, Dan; Li, Zhenghua; Nie, Shenyou; He, Yi","Green synthesis for diverse bioactive benzo-fused spiroindolines through DBU-catalysed post-Ugi double cyclization","Chemical Communications","2024","","","","","10.1039/D4CC00846D","","x-ray","1.54184","CuKα","","0.0524","0.0456","","","0.1247","0.1377","","","","","","1.096","","","","has coordinates","291317","2024-04-22","22:03:49",""
"7133021","11.9288","0.0005","6.8445","0.0003","27.4989","0.0011","90","","90.376","0.004","90","","2245.15","0.16","109.5","0.7","109.5","0.7","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H12 Br4 N6 -","- C24 H12 Br4 N6 -","- C96 H48 Br16 N24 -","4","0.5","","Arya, Yogita; Ansari, Toufik; Bera, Sudip; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar","Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on carbon cloth support","Chemical Communications","2024","","","","","10.1039/D4CC01173B","","x-ray","0.71073","MoKα","","0.1031","0.0637","","","0.1541","0.1786","","","","","","1.011","","","","has coordinates","291755","2024-05-07","21:59:38",""
"7133048","13.6313","0.0003","19.4305","0.0006","24.194","0.0008","90","","99.003","0.003","90","","6329.1","0.3","292.5","0.8","292.5","0.8","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C29 H8 B F15 N2 -","- C29 H8 B F15 N2 -","- C232 H64 B8 F120 N16 -","8","1","","Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao","Hetero Diels-Alder reactions of isolable N-borylenamines","Chemical Communications","2024","","","","","10.1039/D4CC01645A","","x-ray","1.54184","CuKα","","0.0885","0.0714","","","0.2313","0.2472","","","","","","1.103","","","","has coordinates","291826","2024-05-13","22:04:38",""
"7133055","21.6338","0.0003","28.0204","0.0003","21.9354","0.0003","90","","98.596","0.001","90","","13147.6","0.3","173","0.1","173","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C58.06 H70.12 Cl4.12 F4 I2 N6 O9 Se -","- C56 H66 F4 I2 N6 O9 Se -","- C448 H528 F32 I16 N48 O72 Se8 -","8","1","","Liu, Chuan-Zhi; Zhang, Chi; Li, Zhongyi; Chen, Jiale; Wang, Tonglu; Zhang, Xiang-Kung; Yan, Meng; Zhai, Bin","Multiple Non-covalent Interactions Directed Supramolecular Double Helices: The Orthogonality of Hydrogen, Halogen and Chalcogen Bonding","Chemical Communications","2024","","","","","10.1039/D4CC01472C","","x-ray","1.54184","CuKα","","0.0622","0.056","","","0.1535","0.1582","","","","","","1.036","","","","has coordinates,has disorder","291827","2024-05-13","22:05:20",""
"7151490","7.444","0.002","5.731","0.002","26.932","0.008","90","","92.82","0.01","90","","1147.6","0.6","103","2","103","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","2,5-diphenylpyrimidine","2,5-diphenylpyrimidine","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","0.5","","Hughes, Gregory; Wang, Changsheng; Batsanov, Andrei S.; Fern, Michael; Frank, Stephen; Bryce, Martin R.; Perepichka, Igor F.; Monkman, Andrew P.; Lyons, Benjamin P.","New pyrimidine- and fluorene-containing oligo(arylene)s: synthesis, crystal structures, optoelectronic properties and a theoretical study Electronic supplementary information (ESI) available: experimental synthetic procedures for compounds 4, 9 and 10; HF/6?31G(d,p) and B3LYP/6?31G(d,p) calculated geometries and frontier orbitals for compounds 13E, 14E and 16E?21E. See http://www.rsc.org/suppdata/ob/b3/b305870k/","Organic & Biomolecular Chemistry","2003","1","17","3069","","10.1039/b305870k","","","0.71073","MoKα","","0.0517","0.042","","","0.1141","0.1234","","","","","","1.057","","","","has coordinates,has disorder","180300","2020-10-21","18:00:00",""
"7152374","22.2526","0.0005","7.0132","0.0002","25.1963","0.0006","90","","106.297","0.002","90","","3774.19","0.17","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H20 N O5 P -","- C23 H20 N O5 P -","- C184 H160 N8 O40 P8 -","8","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0747","0.054","","","0.1035","0.1142","","","","","","1.092","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7155265","14.1684","0.0003","6.6657","0.0002","47.1845","0.0014","90","","91.503","0.002","90","","4454.7","0.2","292.87","0.11","292.87","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C19 H21 I N2 O7 S -","- C19 H21 I N2 O7 S -","- C152 H168 I8 N16 O56 S8 -","8","1","","Beltran, R.; Nocquet-Thibault, S; Blanchard, F.; Dodd, R. H.; Cariou, K.","PIFA-mediated ethoxyiodination of enamides with potassium iodide.","Organic & biomolecular chemistry","2016","14","36","8448","8451","10.1039/c6ob01673a","","x-ray","0.71073","MoKα","","0.0536","0.0377","","","0.0945","0.1027","","","","","","1.061","","","","has coordinates","188282","2020-10-21","18:00:00",""
"7155301","19.5798","0.0005","10.5855","0.0002","30.2255","0.0008","90","","100.449","0.002","90","","6160.7","0.3","140","2","140","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C56 H82 Cl4 O14 -","- C56 H82 Cl4 O14 -","- C224 H328 Cl16 O56 -","4","0.5","","Cominetti, Marco M. D.; Hughes, David L.; Matthews, Susan E.","Open-resorcinarenes, a new family of multivalent scaffolds.","Organic & biomolecular chemistry","2016","14","43","10161","10164","10.1039/c6ob02164f","","","0.71073","Mo-Kα","","0.0508","0.0383","","","0.0933","0.0993","","","","","","1.027","","","","has coordinates","188291","2020-10-21","18:00:00",""
"7155392","13.7073","0.0006","13.9417","0.0006","41.647","0.002","90","","90.131","0.0016","90","","7958.8","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H30 F38 N8 O4 -","- C94 H30 F38 N8 O4 -","- C376 H120 F152 N32 O16 -","4","0.5","","Hewage, Nisansala; Zeller, Matthias; Brückner, Christian","Oxidations of chromene-annulated chlorins.","Organic & biomolecular chemistry","2017","15","2","396","407","10.1039/c6ob02395a","","","1.54178","CuKα","","0.0648","0.0581","","","0.1565","0.1602","","","","","","1.075","","","","has coordinates","191726","2020-10-21","18:00:00",""
"7155632","14.16761","0.00006","7.46338","0.00004","28.10737","0.00012","90","","103.616","0.0004","90","","2888.5","0.02","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 Br2 O2 -","- C16 H10 Br2 O2 -","- C128 H80 Br16 O16 -","8","1","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.0306","0.0304","","","0.0799","0.0801","","","","","","1.083","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155671","16.036","0.003","7.932","0.002","22.399","0.003","90","","101.857","0.011","90","","2788.3","1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","rac-(3S,5aR,6S,9S,9aS,10R)-methyl 10-bromo-1-oxo-3,4,5,5a,6,9-hexahydro-1H-6,9-ethano-3,9a-methanobenzo[c]oxepine-7-carboxylate","","- C15 H17 Br O4 -","- C15 H17 Br O4 -","- C120 H136 Br8 O32 -","8","1","","BROSSARD, Dominique; Retailleau, Pascal; Dumontet, Vincent; Breton, Philippe; Desrat, Sandy; Roussi, Fanny","Fast & easy preparation of 3D scaffolds from methyl benzoate by a diversity oriented synthesis strategy based on Diels-Alder and ene-reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01236E","","","0.71073","MoKα","","0.0493","0.0333","","","0.0797","0.0878","","","","","","1.027","","","","has coordinates","197679","2020-10-21","18:00:00",""
"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",""
"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","230720","2020-10-21","18:00:00",""
"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",""
"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",""
"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",""
"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","230743","2020-10-21","18:00:00",""
"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","230774","2020-10-21","18:00:00",""
"7156670","28.3764","0.0009","22.9821","0.0008","26.0316","0.001","90","","110.512","0.004","90","","15900.2","1.1","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C75 H106 Ag F3 N6 O21 S -","- C59 H66 Ag F3 N6 O17 S -","- C472 H528 Ag8 F24 N48 O136 S8 -","8","1","","Lewis, James E. M.","Self-templated synthesis of amide catenanes and formation of a catenane coordination polymer.","Organic & biomolecular chemistry","2019","17","9","2442","2447","10.1039/c9ob00107g","","","0.71073","MoKα","","0.0999","0.0751","","","0.2218","0.2435","","","","","","1.023","","","","has coordinates,has disorder","225216","2020-10-21","18:00:00",""
"7156771","25.282","0.002","3.7619","0.0002","35.085","0.003","90","","92.481","0.007","90","","3333.7","0.4","293","","293","","","","","","","","synthesized","4","I 1 2/a 1","-I 2ya","15","","","","- C15 H11 F2 N5 -","- C15 H11 F2 N5 -","- C120 H88 F16 N40 -","8","1","","Kathuria, Deepika; Gupta, Pankaj; Chourasiya, Sumit S.; Sahoo, Subash C.; Beifuss, Uwe; Chakraborti, Asit K.; Bharatam, Prasad V.","An unprecedented intramolecular to intermolecular mechanistic switch in 1,1-diaminoazines leading to differential product formation during the I<sub>2</sub>-induced tandem oxidative transformation.","Organic & biomolecular chemistry","2019","17","16","4129","4138","10.1039/c9ob00610a","","x-ray","0.71073","MoKα","","0.2008","0.07","","","0.1632","0.2208","","","","","","0.9196","","","","has coordinates","225167","2020-10-21","18:00:00",""
"7157125","15.8495","0.0017","10.2381","0.0011","13.1866","0.0015","90","","104.544","0.012","90","","2071.2","0.4","295.54","0.1","295.54","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H9 F2 N3 O -","- C10 H9 F2 N3 O -","- C80 H72 F16 N24 O8 -","8","1","","You, Yi; Chen, Yueji; You, Chenhui; Wang, Junwen; Weng, Zhiqiang","Synthesis of 3-(tri/difluoromethyl)-1H-1,2,4-triazol-5(4H)-ones via the cyclization of hydrazinecarboxamides with tri/difluoroacetic anhydride.","Organic & biomolecular chemistry","2019","17","42","9343","9347","10.1039/c9ob01865d","","x-ray","0.71073","MoKα","","0.0547","0.0381","","","0.0988","0.1081","","","","","","1.044","","","","has coordinates","225106","2020-10-21","18:00:00",""
"7157313","14.0204","0.001","7.9073","0.0005","22.6326","0.0016","90","","103.22","0.007","90","","2442.6","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H4 F8 N2 O -","- C12 H4 F8 N2 O -","- C96 H32 F64 N16 O8 -","8","1","","Liao, Chunshu; Li, Jianrong; Chen, Xiaoqiong; Lu, Jingjun; Liu, Qiang; Chen, Lu; Huang, Yubing; Li, Yibiao","Selective synthesis of pyridyl pyridones and oxydipyridines by transition-metal-free hydroxylation and arylation of 2-fluoropyridine derivatives.","Organic & biomolecular chemistry","2020","18","6","1185","1193","10.1039/c9ob02661d","","x-ray","0.71073","MoKα","","0.0443","0.036","","","0.0855","0.0912","","","","","","1.041","","","","has coordinates","249039","2020-10-21","18:00:00",""
"7157913","20.1831","0.0003","7.18245","0.00012","30.464","0.0005","90","","102.664","0.0017","90","","4308.76","0.12","123","0.1","123","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H31 Cl N6 O6 -","- C18 H31 Cl N6 O6 -","- C144 H248 Cl8 N48 O48 -","8","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.0664","0.062","","","0.183","0.1899","","","","","","1.05","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7158036","29.6153","0.0012","4.8689","0.0001","20.5","0.0009","90","","104.698","0.003","90","","2859.25","0.18","210","2","210","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(E)-2-(4-methoxybenzylidene)-4-isopropoxy-4-oxobutanoic acid","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","1","","Krause, Andreas; Sperlich, Eric; Schmidt, Bernd","Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.","Organic & biomolecular chemistry","2021","19","19","4292","4302","10.1039/d1ob00392e","","","0.71073","MoKα","","0.0564","0.0415","","","0.1129","0.1204","","","","","","1.07","","","","has coordinates,has disorder","266159","2021-06-05","19:27:33",""
"7158309","23.2429","0.0006","9.7717","0.0002","28.6043","0.0007","90","","94.72","0.002","90","","6474.7","0.3","293","2","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","221","","- C36 H31 Cl N2 O5 S2 -","- C36 H31 Cl N2 O5 S2 -","- C288 H248 Cl8 N16 O40 S16 -","8","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.075","0.0538","","","0.136","0.1648","","","","","","1.085","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158362","20.8005","0.0006","5.76195","0.00016","37.1847","0.0013","90","","98.257","0.003","90","","4410.4","0.2","293.32","0.1","293.32","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C208 H224 O32 -","8","1","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","x-ray","1.54184","CuKα","","0.067","0.0546","","","0.1536","0.1664","","","","","","1.041","","","","has coordinates,has disorder","271231","2021-12-07","03:56:07",""
"7158560","18.54","","10.37","","24.28","","90","","103.312","0.003","90","","4542.64","0.06","100","","100","","","","100","","","","","4","I 1 2/a 1","-I 2ya","15","","4a (racemate)","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C240 H184 N8 O16 -","8","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.54184","CuKα","","0.051","0.0478","","0.1248","0.1221","0.1248","","","","","","0.9959","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158561","21.811899","0.000014","9.8405","0.00001","23.848099","0.000014","90","","101.347","0.0018","90","","5018.7","0.03","293","","293","","","","100","","","","","4","I 1 2/a 1","-I 2ya","15","","4j (racemate)","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C256 H216 N8 O16 -","8","1","","Sweet, Jamie S.; Wang, Ruichen; Manesiotis, Panagiotis; Dingwall, Paul; Knipe, Peter C.","Atropselective synthesis of N-aryl pyridones via dynamic kinetic resolution enabled by non-covalent interactions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00177B","","","1.54184","CuKα","","0.0441","0.041","","0.11","0.1058","0.11","","","","","","0.8816","","","","has coordinates","273548","2022-03-09","01:37:21",""
"7158624","13.1462","0.0013","8.7576","0.0007","25.691","0.002","90","","102.499","0.009","90","","2887.7","0.4","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H17 B N5 O0.5 -","- C13 H17 B N5 O0.5 -","- C104 H136 B8 N40 O4 -","8","1","","Zhang, Yifei; Liao, Yangzhen; Liu, Peijun; Ran, Yu; Liu, Xiaozu","Radical borylation of vinyl azides with NHC-boranes: divergent synthesis of α-boryl ketones and borylated triazoles.","Organic & biomolecular chemistry","2022","20","17","3550","3557","10.1039/d2ob00076h","","x-ray","0.71073","MoKα","","0.0582","0.0466","","","0.1073","0.1147","","","","","","1.06","","","","has coordinates","275052","2022-05-05","20:53:27",""
"7158662","15.5676","0.0005","13.8531","0.0003","26.8877","0.001","90","","99.841","0.003","90","","5713.3","0.3","99.99","0.1","99.99","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C34 H32 O10 -","- C34 H32 O10 -","- C272 H256 O80 -","8","1","","Zhou, Tingting; Zheng, Anquan; Zhang, Wenge; Lu, Xiuxiang; Chen, Huiyu; Tan, Haibo","Concise total syntheses of two flavans and structure revision assisted by quantum NMR calculations.","Organic & biomolecular chemistry","2022","20","20","4096","4100","10.1039/d2ob00634k","","x-ray","1.54184","CuKα","","0.0845","0.061","","","0.149","0.1618","","","","","","1.057","","","","has coordinates,has disorder","275830","2022-06-06","02:06:34",""
"7158669","15.3058","0.0005","6.108","0.0002","28.2912","0.0009","90","","101.503","0.003","90","","2591.76","0.15","298","","298","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 O5 -","- C16 H10 O5 -","- C128 H80 O40 -","8","1","","Si, Min; Yan, Jiaqi; Ding, Yongzheng; Huang, Hanmin","Pd-Catalyzed carbonylative lactonization of 2-halidearomatic aldehydes with H<sub>2</sub>O as a nucleophile.","Organic & biomolecular chemistry","2022","20","19","3917","3921","10.1039/d2ob00623e","","x-ray","1.54184","CuKα","","0.0444","0.0382","","","0.0985","0.1044","","","","","","1.0486","","","","has coordinates","275819","2022-06-06","02:03:17",""
"7158725","22.1744","0.0009","7.6768","0.0003","29.6328","0.0013","90","","98.428","0.004","90","","4989.9","0.4","113.15","","113.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C216 H240 N16 O40 -","8","1","","Zhao, Hong-Wu; Zhang, Heng; Cai, Lu-Yu; Wang, Kuo","Pd-Catalyzed Three-Component Decarboxylative Coupling Reactions Among Alkylidene Pyrazolones, Allyl Carbonates and Active Methylene Compounds","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00791F","","x-ray","0.71073","MoKα","","0.0878","0.0586","","","0.1347","0.1531","","","","","","1.024","","","","has coordinates","275950","2022-06-10","00:39:52",""
"7159229","18.1847","0.0002","9.88774","0.00011","27.3603","0.0004","90","","106.553","0.0013","90","","4715.65","0.11","99.98","0.1","99.98","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C200 H192 N32 O16 -","8","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Milyutin, Constantine V.; Melekhina, Valeriya G.","Photochemical synthesis and ring-chain-ring tautomerism of benzo[4,5]imidazo[1,2-<i>a</i>]cyclopenta[<i>e</i>]pyridines.","Organic & biomolecular chemistry","2023","21","13","2720","2728","10.1039/d3ob00273j","","x-ray","1.54184","CuKα","","0.0577","0.0563","","","0.1405","0.1413","","","","","","1.092","","","","has coordinates","283448","2023-05-05","03:16:24",""
"7159254","18.0917","0.0006","12.0597","0.0005","35.4251","0.001","90","","91.256","0.003","90","","7727.2","0.5","123","1","123","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C37.5 H33 Cl7 N2 O6 -","- C37.5 H27 Cl7 N2 O6 -","- C300 H216 Cl56 N16 O48 -","8","1","","Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.","Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF<sub>3</sub>-controlled [2 + 2]-photocycloaddition of 5(4<i>H</i>)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.","Organic & biomolecular chemistry","2023","21","15","3203","3213","10.1039/d3ob00284e","","x-ray","0.71073","MoKα","","0.0841","0.0485","","","0.0971","0.1121","","","","","","1.017","","","","has coordinates,has disorder","283470","2023-05-05","03:22:07",""
"7159364","10.1807","0.0003","21.2316","0.0005","16.3707","0.0004","90","","104.958","0.003","90","","3418.67","0.16","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 F6 N4 -","- C16 H10 F6 N4 -","- C128 H80 F48 N32 -","8","1","","Lin, Bo; Yao, Yunfei; Wu, Minze; Qin, Lu; Chen, Shouxiong; You, Yi; Weng, Zhiqiang","Synthesis of 2-trifluoromethyl benzimidazoles, benzoxazoles, and benzothiazoles <i>via</i> condensation of diamines or amino(thio)phenols with CF<sub>3</sub>CN.","Organic & biomolecular chemistry","2023","21","23","4788","4793","10.1039/d3ob00517h","","x-ray","1.54184","CuKα","","0.1253","0.0998","","","0.2869","0.3057","","","","","","1.07","","","","has coordinates,has disorder","284971","2023-07-05","10:57:01",""
"7159450","17.893","0.001","7.7491","0.0004","13.6613","0.0007","90","","90.97","0.005","90","","1893.93","0.17","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C14 H9 O -","- C14 H9 O -","- C112 H72 O8 -","8","1","","Qi, Rui; Bai, Tianwen; Tang, Shuwang; Hou, Ming; Zhang, Zhide; Xie, Wenlin; Deng, Yangling; Zhou, Hongwei; Qiu, Guanyinsheng","Solvent-promoted photochemical carbonylation of benzylic C-H bonds under iron catalysis.","Organic & biomolecular chemistry","2023","21","26","5382","5386","10.1039/d3ob00328k","","x-ray","1.54184","CuKα","","0.0759","0.067","","","0.1604","0.1731","","","","","","1.085","","","","has coordinates","285011","2023-07-06","00:45:01",""
"7159491","21.1418","0.0011","6.3999","0.0003","27.776","0.0013","90","","96.557","0.004","90","","3733.7","0.3","285","2","285","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H20 F2 O3 S -","- C19 H20 F2 O3 S -","- C152 H160 F16 O24 S8 -","8","1","","Ishu, Km; Prabhakar, Neha Sharma; Singh, Krishna Nand","A regioselective synthesis of β-difluoromethoxy vinyl sulfones <i>via O</i>-difluoromethylation of β-ketosulfones using sodium chlorodifluoroacetate.","Organic & biomolecular chemistry","2023","21","32","6588","6594","10.1039/d3ob01142a","","","1.54184","CuKα","","0.1546","0.106","","","0.2711","0.3195","","","","","","1.044","","","","has coordinates","286789","2023-10-06","00:44:57",""
"7159506","18.0787","0.0009","18.1527","0.0005","22.8772","0.0012","90","","108.69","0.005","90","","7111.9","0.6","120.01","0.1","120.01","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C74 H118 Cl2 N10 O5 -","- C74 H118 Cl2 N10 O5 -","- C296 H472 Cl8 N40 O20 -","4","0.5","","Pamuła, Małgorzata; Bulatov, Evgeny; Martínez-Crespo, Luis; Kiesilä, Anniina; Naulapää, Julia; Kalenius, Elina; Helttunen, Kaisa","Anion binding and transport with <i>meso</i>-alkyl substituted two-armed calix[4]pyrroles bearing urea and hydroxyl groups.","Organic & biomolecular chemistry","2023","21","32","6595","6603","10.1039/d3ob00919j","","","1.54184","CuKα","","0.1019","0.0954","","","0.2272","0.2306","","","","","","1.144","","","","has coordinates,has disorder","286178","2023-09-05","20:20:57",""
"7159541","19.5566","0.0002","9.6517","0.0001","21.0321","0.0002","90","","95.94","0.001","90","","3948.59","0.07","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H23 N5 O5 -","- C19 H23 N5 O5 -","- C152 H184 N40 O40 -","8","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","x-ray","1.54184","CuKα","","0.0567","0.0562","","","0.1258","0.126","","","","","","1.285","","","","has coordinates,has disorder","286795","2023-10-06","00:47:01",""
"7159849","18.9993","0.0002","11.37225","0.00015","43.5762","0.0005","90","","96.9104","0.0011","90","","9346.89","0.19","301.71","0.1","301.71","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C50 H36 Cl4 F4 N8 O2 -","- C50 H36 Cl4 F4 N8 O2 -","- C400 H288 Cl32 F32 N64 O16 -","8","1","","Feng, Yang; Ren, Yuanyuan; Tang, Duoduo; Wang, Ke-Hu; Wang, Junjiao; Huang, Danfeng; Lv, Xiaobo; Hu, Yulai","Synthesis of difluoromethylated spiropyrazolones <i>via</i> [3 + 2] cycloaddition of difluoroacetohydrazonoyl bromides with alkylidene pyrazolones.","Organic & biomolecular chemistry","2024","22","14","2797","2812","10.1039/d4ob00044g","","x-ray","1.54184","CuKα","","0.076","0.0644","","","0.1957","0.2087","","","","","","1.083","","","","has coordinates","291049","2024-04-05","00:12:06",""
"7200507","15.4878","0.0007","8.8523","0.0005","49.23","0.003","90","","92.832","0.006","90","","6741.3","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H55.5 Cl2 N7 O8.25 Zn -","- C25 H55 Cl2 N7 O8.247 Zn -","- C200 H440 Cl16 N56 O65.976 Zn8 -","8","1","","Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A.","Proton switching of polarity in metalloamphiphile crystals","CrystEngComm","2009","11","2","249","253","10.1039/b817145a","","","1.54184","CuKα","","0.1503","0.1009","","","0.2935","0.331","","","","","","1.059","","","","has coordinates,has disorder","218478","2020-10-21","18:00:00",""
"7200539","11.0311","0.0004","11.5197","0.0005","27.033","0.001","90","","100.739","0.004","90","","3375.1","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 Mn2 N2 O11 S6 -","- C26 H18 Mn2 N2 O11 S6 -","- C104 H72 Mn8 N8 O44 S24 -","4","0.5","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.54184","CuKα","","0.0342","0.0305","","","0.0889","0.0903","","","","","","1.094","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200803","6.712","0.0004","11.2486","0.0011","17.965","0.0016","90","","91.975","0.007","90","","1355.6","0.2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","IM-19 dmf","","","- C5.275 H5.475 Ga0.5 N0.425 O2.925 -","- C4 H2 Ga0.5 O2.5 -","- C32 H16 Ga4 O20 -","8","1","","Chaplais, Gérald; Simon-Masseron, Angélique; Porcher, Florence; Lecomte, Claude; Bazer-Bachi, Delphine; Bats, Nicolas; Patarin, Joël","IM-19: a new flexible microporous gallium based-MOF framework with pressure- and temperature-dependent openings","Physical Chemistry Chemical Physics","2009","11","26","5241","5245","10.1039/b822163d","","","0.71073","MoKα","","0.1151","0.0873","","","0.1297","0.1302","","","","9.41","9.41","7.97","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7201179","15.3539","0.0012","16.3316","0.0011","21.5221","0.0016","90","","90.75","0.02","90","","5396.3","0.7","120","2","120","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","4,4'-bis(E-dimesitylborylethenyl)biphenyl, toluene solvate","","- C66 H72 B2 -","- C66 H72 B2 -","- C264 H288 B8 -","4","0.5","","Entwistle, Christopher D.; Collings, Jonathan C.; Steffen, Andreas; Pålsson, Lars-Olof; Beeby, Andrew; Albesa-Jové, David; Burke, Jacquelyn M.; Batsanov, Andrei S.; Howard, Judith A. K.; Mosely, Jackie A.; Poon, Suk-Yue; Wong, Wai-Yeung; Ibersiene, Fatima; Fathallah, Sofiane; Boucekkine, Abdou; Halet, Jean-François; Marder, Todd B.","Syntheses, structures, two-photon absorption cross-sections and computed second hyperpolarisabilities of quadrupolar A‒π‒A systems containing E-dimesitylborylethenyl acceptors","Journal of Materials Chemistry","2009","19","40","7532","","10.1039/b905719f","","","0.71073","MoKα","","0.1327","0.0765","","","0.1851","0.2276","","","","","","1.051","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201653","14.811","0.003","6.4564","0.0007","19.759","0.004","90","","94.06","0.008","90","","1884.7","0.6","298","","298","","","","1000000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1138","0.0621","","0.2058","0.1603","0.2058","","","","","","0.9548","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201654","14.5745","0.0013","6.3779","0.0004","19.0922","0.0018","90","","94.882","0.004","90","","1768.3","0.3","298","","298","","","","2300000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1063","0.064","","0.2247","0.1715","0.2247","","","","","","0.9844","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201655","14.3941","0.0014","6.3329","0.0004","18.725","0.0019","90","","95.325","0.005","90","","1699.5","0.3","298","","298","","","","3400000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.092","0.0559","","0.1838","0.1438","0.1838","","","","","","0.9545","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201656","14.271","0.004","6.303","0.0009","18.459","0.005","90","","95.59","0.015","90","","1652.5","0.7","298","","298","","","","4600000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.1084","0.0673","","0.239","0.1829","0.239","","","","","","0.9765","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201657","14.101","0.003","6.2699","0.0006","18.158","0.003","90","","95.817","0.01","90","","1597.1","0.5","298","","298","","","","6200000","","","","","4","I 1 2/a 1","-I 2ya","15","3-tButylsalicylaldoxime","3-tButylsalicylaldoxime","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C88 H120 N8 O16 -","8","1","","Wood, Peter A.; Forgan, Ross S.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Tasker, Peter A.; Warren, John E.","The effect of pressure and substituents on the size of pseudo-macrocyclic cavities in salicylaldoxime ligands","CrystEngComm","2008","10","2","239","","10.1039/b712397c","","","0.4869","synchrotron","","0.0896","0.0531","","0.1634","0.1303","0.1634","","","","","","0.9538","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202493","23.1539","0.0007","21.3296","0.0007","23.1371","0.0008","90","","101.546","0.001","90","","11195.3","0.6","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0369","0.0309","","","0.0791","0.0879","","","","","","1.063","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202494","23.0935","0.0008","21.3176","0.0007","23.0731","0.0008","90","","101.442","0.001","90","","11133.1","0.7","130","2","130","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0382","0.0335","","","0.0863","0.0925","","","","","","1.041","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202495","23.0402","0.0008","21.3055","0.0007","23.011","0.0008","90","","101.31","0.001","90","","11076.4","0.7","110","2","110","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0324","0.029","","","0.0751","0.081","","","","","","1.044","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202496","22.9943","0.001","21.2963","0.0009","22.9549","0.0011","90","","101.218","0.002","90","","11026.1","0.9","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0298","0.027","","","0.071","0.0772","","","","","","1.043","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202497","22.9383","0.0011","21.2836","0.001","22.9242","0.0012","90","","101.227","0.002","90","","10977.6","0.9","70","2","70","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0448","0.0406","","","0.1082","0.1132","","","","","","1.042","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202498","22.9096","0.0011","21.2711","0.001","22.8969","0.0012","90","","101.206","0.002","90","","10945.2","0.9","50","2","50","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0439","0.0403","","","0.1077","0.1122","","","","","","1.053","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202499","22.8945","0.0011","21.2571","0.001","22.8707","0.0012","90","","101.148","0.002","90","","10920.5","0.9","30","2","30","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0437","0.0408","","","0.1096","0.1122","","","","","","1.041","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202500","22.845","0.008","21.263","0.007","22.907","0.008","90","","101.04","0.02","90","","10921","7","25","1","25","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0431","0.0424","","","0.1124","0.1135","","","","","","1.035","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202501","22.797","0.014","21.216","0.012","22.754","0.013","90","","100.51","0.03","90","","10821","11","12","1","12","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0384","0.0381","","","0.0988","0.0992","","","","","","1.131","","","","has coordinates","180356","2020-10-21","18:00:00",""
"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","180365","2020-10-21","18:00:00",""
"7203727","15.034","0.003","6.728","0.002","35.211","0.006","90","","92.98","0.01","90","","3556.7","1.4","293","2","295","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C44 H35.33 Cl6.66 N2 O2.67 Os1.33 S32 -","- C40 H32 Cl7.016 N1.404 O1.404 Os1.404 S32 -","- C80 H64 Cl14.032 N2.808 O2.808 Os2.808 S64 -","2","0.25","","Simonov, Sergey V.; Shevyakova, Irina Yu.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Buravov, Lev I.; Emel'yanov, Vyacheslav A.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","Variety of molecular conducting layers in the family of radical cation salts based on BEDT-TTF with the metal mononitrosyl complex [OsNOCl5]2‒","Journal of Materials Chemistry","2005","15","25","2476","","10.1039/b419134j","","x-ray","0.71073","Mokα","","0.0836","0.0493","","","0.1389","0.1563","","","","","","1.097","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7204147","15.798","0.001","4.8939","0.0003","17.99","0.001","90","","114.816","0.004","90","","1262.44","0.14","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Al1.75 Ce3 N9.25 O5.75 Si6.25 -","- Al1.76 Ce3 N9.22 O5.78 Si6.24 -","- Al7.04 Ce12 N36.88 O23.12 Si24.96 -","4","0.5","","Grins, Jekabs; Shen, Zhijian; Esmaeilzadeh, Saeid; Berastegui, Pedro","The structures of the Ce and La N-phases RE3Si8 ‒ xAlxN11 ‒ xO4 + x (x≈ 1.75 for RE = Ce, x ≈ 1.5 for RE = La), determined by single-crystal X-ray and time-of-flight neutron powder diffraction, respectively","Journal of Materials Chemistry","2001","11","9","2358","","10.1039/b102340n","","","0.71073","MoKα","","0.0446","0.0313","","","0.0639","0.0671","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204739","30.154","0.008","4.052","0.004","39.317","0.009","90","","91.4","0.03","90","","4802","5","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","(AcOPM-EDSTTF)2-TCNQ","","","- C23 H16 N2 O2 S4 Se2 -","- C23 H16 N2 O2 S4 Se2 -","- C184 H128 N16 O16 S32 Se16 -","8","1","","Kaboub, Lakhemici; Legros, Jean-Pierre; Donnadieu, Bruno; Gouasmia, Abdel-Krim; Boudiba, Louiza; Fabre, Jean-Marc","Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atomsElectronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams and a table of selected torsion angles for Ic?e and (Ic)2?TCNQ. See http://www.rsc.org/suppdata/jm/b3/b308514g/","Journal of Materials Chemistry","2004","14","3","351","","10.1039/b308514g","","","0.71073","MoKα","","0.1119","0.0484","","","0.1073","0.1309","","","","","","1.028","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7206051","16.5454","0.0012","7.5826","0.0005","22.0553","0.0015","90","","95.2065","0.0011","90","","2755.6","0.3","100","2","100","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J.","Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives","Journal of Materials Chemistry","2011","21","17","6258","","10.1039/c1jm10228a","","","0.71073","MoKα","","0.0765","0.0496","","","0.1117","0.1286","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206250","26.5623","0.0004","17.5464","0.0002","42.0801","0.0008","90","","104.125","0.002","90","","19019.4","0.5","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C324 H356 Cu12 F36 N88 O60 Si6 -","- C324 H292 Cu12 F36 N88 O60 Si6 -","- C648 H584 Cu24 F72 N176 O120 Si12 -","2","0.25","","Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong","Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions","CrystEngComm","2011","13","14","4564","","10.1039/c1ce05210a","","","0.71073","MoKα","","0.0915","0.0605","","","0.1663","0.1764","","","","","","1.08","","","","has coordinates,has disorder","180393","2020-10-21","18:00:00",""
"7206368","8.7502","0.0011","5.059","0.002","21.53","0.02","90","","96.37","0.03","90","","947.2","1","294","","294","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C4 H5 Li O2 -","- C4 H5 Li O2 -","- C32 H40 Li8 O16 -","8","1","","Shang, Wen; Hickey, Magali B.; Enkelmann, Volker; Snider, Barry B.; Foxman, Bruce M.","Chemo- and stereospecific solid-state dimerization of lithium trans-2-butenoate and lithium trans-2-butenoate formamide solvate","CrystEngComm","2011","13","13","4339","","10.1039/c0ce00810a","","","1.54178","CuKα","","0.0981","0.0552","","0.119","0.068","0.068","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7207247","39.9115","0.0007","3.86753","0.00007","46.725","0.0007","90","","103.615","0.0015","90","","7009.8","0.2","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C44.77 H31.21 Br3 N3 -","- C44.768 H31.21 Br3 N3 -","- C358.144 H249.68 Br24 N24 -","8","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.0886","0.0805","","","0.2533","0.2623","","","","","","1.034","","","","has coordinates,has disorder","180403","2020-10-21","18:00:00",""
"7207248","39.8459","0.0011","3.8434","0.0001","46.6728","0.0018","90","","104.398","0.001","90","","6923.2","0.4","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C43.8 H29.49 Br3 N3 -","- C43.802 H29.488 Br3 N3 -","- C350.416 H235.904 Br24 N24 -","8","1","","Berger, Ricarda; Hauser, Jürg; Labat, Gaël; Weber, Edwin; Hulliger, Jürg","New symmetrically substituted 1,3,5-triazines as host compounds for channel-type inclusion formation","CrystEngComm","2012","14","3","768","","10.1039/c2ce06034e","","","0.71073","MoKα","","0.0881","0.0581","","","0.1421","0.1567","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208125","15.0427","0.001","19.2867","0.0008","15.3115","0.0007","90","","106.433","0.001","90","","4260.8","0.4","100","2","100","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H48 Cd2 N12 O2 S6 -","- C32 H48 Cd2 N12 O2 S6 -","- C128 H192 Cd8 N48 O8 S24 -","4","0.5","","Martínez-Calvo, Miguel; Pedrido, Rosa; González-Noya, Ana M.; Cwiklinska, Magdalena; Zaragoza, Guillermo; Bermejo, Manuel R.","Chains or grids of cadmium(ii) helicates?","CrystEngComm","2012","14","13","4270","","10.1039/c2ce25551k","","x-ray","0.7107","MoKα","","0.0487","0.0296","","","0.056","0.0619","","","","","","1.02","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7209801","34.1862","0.0007","20.4477","0.0003","34.3172","0.001","90","","108.802","0.002","90","","22708.6","0.9","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C127.5 H128 As4 O4 V8 -","- C127.49 H127.98 As4 O4 V8 -","- C1019.92 H1023.84 As32 O32 V64 -","8","1","","Elschenbroich, Christoph; Lu, Feng; Harms, Klaus; Pietzonka, Clemens","Intermolecular hydrogen bonds directed tetramer and intramolecular electronic communication: paramagnetic di([5]trovacenyl)arsinous acid","CrystEngComm","2013","15","18","3525","","10.1039/c3ce40246k","","","0.71073","MoKα","","0.085","0.0442","","","0.0962","0.1076","","","","","","0.901","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210650","16.435","","7.076","","20.06","","90","","107.66","","90","","2222.92","","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C14 H20 Cd Cu N2 O14 -","- C14 H18 Cd Cu N2 O14 -","- C56 H72 Cd4 Cu4 N8 O56 -","4","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0929","0.0771","","","0.2406","0.2592","","","","","","1.07","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7211110","15.893","0.0012","11.8892","0.0011","16.7929","0.0012","90","","91.161","0.003","90","","3172.5","0.4","213","2","213","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","mu-Hexafluorosilicato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole) cadmium(II), Solvate with 1.5 Dichloromethane","","- C21.5 H31 Cd Cl3 F6 N8 Si -","- C21.5 H31 Cd Cl3 F6 N8 Si -","- C86 H124 Cd4 Cl12 F24 N32 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0305","0.0291","","","0.0731","0.0738","","","","","","1.098","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211294","16.1305","0.001","15.4759","0.0006","16.6219","0.0006","90","","94.267","0.001","90","","4137.9","0.3","160","","160","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C50 H46 N4 O2 -","- C50 H46 N4 O2 -","- C200 H184 N16 O8 -","4","0.5","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.052","0.0498","","","0.1357","0.1379","","","","","","1.022","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211372","26.273","","10.799","","25.051","","90","","95.02","","90","","7080.26","","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H32 Cd3 O21 -","- C30 H32 Cd3 O21 -","- C240 H256 Cd24 O168 -","8","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0294","0.0259","","","0.0648","0.0668","","","","","","1.06","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7212169","12.8887","0.0008","4.97","0.0003","20.9607","0.0019","90","","91.546","0.004","90","","1342.19","0.17","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.71073","MoKα","","0.0947","0.0751","","0.1382","0.1313","0.1382","","","","","","1.0989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212170","12.7925","0.0011","4.9356","0.0005","20.415","0.005","90","","92.266","0.014","90","","1288","0.4","293","","293","","","","300000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.1055","0.0541","","0.1282","0.1065","0.1282","","","","","","0.9885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212171","12.5438","0.0006","4.8464","0.0003","19.203","0.003","90","","93.648","0.007","90","","1165","0.2","293","","293","","","","2000000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0675","0.0465","","0.1099","0.1023","0.1099","","","","","","0.9987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212172","12.3706","0.0007","4.7918","0.0003","18.398","0.003","90","","94.078","0.008","90","","1087.8","0.2","293","","293","","","","4000000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0722","0.0503","","0.1193","0.1116","0.1193","","","","","","0.9982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212173","12.2791","0.0007","4.7643","0.0003","17.9649","0.0017","90","","93.96","0.004","90","","1048.46","0.13","293","","293","","","","5100000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0657","0.0477","","0.1239","0.1161","0.1239","","","","","","1.0462","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212260","19.1839","0.0008","9.7221","0.0004","22.3927","0.001","90","","99.843","0.01","90","","4114.9","0.3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C184 H224 N16 O24 -","8","1","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","0.7749","synchrotron","","0.0471","0.0407","","","0.1055","0.1092","","","","","","1.078","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212488","16.064","0.003","6.4139","0.0013","17.668","0.004","90","","91.84","0.03","90","","1819.4","0.6","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cyclohexylammonium acetate","","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C64 H136 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0372","0.0345","","","0.0928","0.0956","","","","","","1.074","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212989","14.84","0.001","6.813","0.001","22.68","0.001","90","","97.796","0.006","90","","2271.9","0.4","295","","295","","","","","","","","by syntheses","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C112 H88 N8 O24 -","8","1","","Ligtenbarg, Alette G. J.; Hage, Ronald; Meetsma, Auke; Feringa, Ben L.","Hydrogen bonding properties and intermediate structure of N-(2-carboxyphenyl)salicylidenimine","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","807","","10.1039/a809497g","","","0.71073","MoKα","","0.05","0.0388","","","0.1102","0.1154","","","","","","1.032","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212990","14.831","0.001","6.718","0.001","22.66","0.005","90","","97.61","0.005","90","","2237.8","0.6","130","","130","","","","","","","","by syntheses","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C112 H88 N8 O24 -","8","1","","Ligtenbarg, Alette G. J.; Hage, Ronald; Meetsma, Auke; Feringa, Ben L.","Hydrogen bonding properties and intermediate structure of N-(2-carboxyphenyl)salicylidenimine","Journal of the Chemical Society, Perkin Transactions 2","1999","","4","807","","10.1039/a809497g","","","0.71073","MoKα","","0.0482","0.0359","","","0.0951","0.1001","","","","","","1.05","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7213524","16.913","0.005","6.379","0.002","19.75","0.006","90","","90.46","0.02","90","","2130.7","1.1","297","2","297","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C72 H112 N16 O32 -","8","1","","Bernhardt, Paul V.; Koch, Rainer; Moloney, Daniel W. J.; Shtaiwi, Majed; Wentrup, Curt","Twisting and planarization in push‒pull ethylenesElectronic supplementary information (ESI) available: tables of X-ray crystallographic bond lengths and angles of compounds 8‒19 (including selected torsional angles and hydrogen bonds), X-ray crystal structures of compounds 10, 11, 13, 16, and 18 (Figs. S1‒S5) and packing diagrams for 17·H2O and 19·H2O (Figs. S6‒S7). See http://www.rsc.org/suppdata/p2/b1/b109624a/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","515","","10.1039/b109624a","","","0.71073","MoKα","","0.0898","0.0472","","","0.1191","0.1402","","","","","","1.019","","","","has coordinates","180466","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","180470","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",""
"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",""
"7219684","14.8231","0.0009","7.7177","0.0006","25.714","0.002","90","","97.692","0.007","90","","2915.2","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H6 Br2 N2 O4 -","- C14 H6 Br2 N2 O4 -","- C112 H48 Br16 N16 O32 -","8","1","","Colaço, Melwin; Dubois, Jean; Wouters, Johan","Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products","CrystEngComm","2015","17","12","2523","","10.1039/C5CE00038F","","","0.71073","MoKα","","0.105","0.0491","","","0.1076","0.133","","","","","","0.964","","","","has coordinates,has disorder","180527","2020-10-21","18:00:00",""
"7220352","18.331","0.012","13.2839","0.0009","26.055","0.002","90","","109.215","0.001","90","","5991","4","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C12 H38 Cu2 N24 O47 Si W12 -","- C12 H38 Cu2 N24 O47 Si W12 -","- C48 H152 Cu8 N96 O188 Si4 W48 -","4","0.5","","Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na","Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation","CrystEngComm","2015","17","22","4179","","10.1039/C5CE00411J","","","0.71073","MoKα","","0.1271","0.1225","","","0.2812","0.2838","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221293","15.85","","4.9029","","18.039","","90","","114.849","","90","","1272.05","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","La3 Si6.5 Al1.5 N9.5 O5.5","","- Al1.5 La3 N9.5 O5.5 Si6.5 -","- Al1.5 La3 N9.4999 O5.5001 Si6.5 -","- Al6 La12 N37.9996 O22.0004 Si26 -","4","0.5","","Grins, J.; Shen, Z.; Esmaeilzadeh, S.; Berastegui, P.","The structures of the Ce and La N-phases RE3 Si8-x Alx N11-x O4+x (x = 1.75 for RE = Ce, x = 1.5 for RE = La), determined by single-crystal X-ray and time-of-flight neutron powder diffraction,respectively","Journal of Materials Chemistry","2001","11","","2358","2362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221319","24.027","","7.346","","21.572","","90","","104.52","","90","","3685.9","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Na4 (Ti Se4)","","- Na4 Se4 Ti -","- Na4 Se4 Ti -","- Na64 Se64 Ti16 -","16","2","","Klepp, K.O.","Preparation and crystal structure of Na4 Ti Se4. A selenotitanate with discrete tetrahedral atoms","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2000","55","","39","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222043","29.1344","0.0011","8.6686","0.0003","31.9584","0.0014","90","","112.448","0.005","90","","7459.7","0.6","294","2","294","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H23 Cd2 N13 O6 -","- C32 H23 Cd2 N13 O6 -","- C256 H184 Cd16 N104 O48 -","8","1","","Gu, Jinzhong; Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.","A series of mixed-ligand 2D and 3D coordination polymers assembled from a novel multifunctional pyridine-tricarboxylate building block: hydrothermal syntheses, structural and topological diversity, and magnetic and luminescent properties","RSC Adv.","2015","","","","","10.1039/C5RA13582F","","","0.71073","MoKα","","0.0715","0.0541","","","0.1538","0.1725","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223485","22.6632","0.0011","10.9979","0.0003","17.6446","0.0008","90","","110.416","0.005","90","","4121.6","0.3","293","2","293","2","","","","","","","Layering Method at low temperature","5","I 1 2/a 1","-I 2ya","15","","3-amino-1-(4-chlorophenyl)-1',3'-dimethyl-2',4',6'-trioxo-2',3',4',6,6',7,8,8a-octahydro-1H,1'H-spiro[naphthalene-2,5'-pyrimidine]-4-carbonitrile","","- C22 H21 Cl N4 O3 -","- C22 H21 Cl N4 O3 -","- C176 H168 Cl8 N32 O24 -","8","1","","M, Rajeswari; Saluja, Pooja; Khurana, Jitender","A Facile and Green Approach for the Synthesis of Spiro[naphthalene-2,5'-pyrimidine]-4-carbonitrile via One-Pot Three-Component Condensation Reaction using DBU as Catalyst","RSC Adv.","2015","","","","","10.1039/C5RA22817D","","","0.71073","MoKα","","0.1448","0.0761","","","0.1816","0.2198","","","","","","0.983","","","","has coordinates","171545","2020-10-21","18:00:00",""
"7223503","19.0793","0.0011","11.3954","0.0007","22.0551","0.0013","90","","98.763","0.001","90","","4739.2","0.5","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,2'-(3-(4-chlorophenyl)-3-oxopropane-1, 1-diyl) bis (3-hydroxy-5, 5-dimethylcyclohex-2-enone)","","- C25 H29 Cl O5 -","- C25 H29 Cl O5 -","- C200 H232 Cl8 O40 -","8","1","","Bingi, Chiranjeevi; Kale, Ashok; Nanubolu, Jagadeesh Babu; Atmakur, Krishnaiah","Acid promoted synthesis of cyclic 1,3-dione fused symmetrical 2,8-dioxabicyclo[3.3.1]nonanes","RSC Adv.","2015","5","129","106860","","10.1039/C5RA23706H","","","0.71073","MoKα","","0.0521","0.0431","","","0.1191","0.1285","","","","","","1.024","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7223915","8.2134","0.0016","16.974","0.003","19.396","0.006","90","","101.13","0.03","90","","2653.2","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H42 Cu2 N20 O13 -","- C32 H42 Cu2 N20 O13 -","- C64 H84 Cu4 N40 O26 -","2","0.25","","Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi","Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand","CrystEngComm","2016","18","8","1350","","10.1039/C5CE02277K","","","0.71073","MoKα","","0.1526","0.0788","","","0.2186","0.2485","","","","","","0.986","","","","has coordinates","177756","2020-10-21","18:00:00",""
"7225484","13.9999","0.001","14.647","0.0011","42.04","0.003","90","","97.948","0.001","90","","8537.8","1.1","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C27 H19 La O8 -","- C27 H19 La O8 -","- C216 H152 La8 O64 -","8","1","","Wang, Haijun; Cheng, Fujun; Zou, Changchang; Li, Qianqian; Hua, Yinying; Duan, Jingui; Jin, Wanqin","Design and synthesis of luminescent porous coordination polymers for chromaticity modulation, sensing of nitrobenzene and iodine encapsulation","CrystEngComm","2016","18","30","5639","","10.1039/C6CE00960C","","","0.71073","MoKα","","0.0748","0.0521","","","0.1314","0.1363","","","","","","1.076","","","","has coordinates","185183","2020-10-21","18:00:00",""
"7225942","22.7475","0.0015","11.3014","0.0007","27.0251","0.0016","90","","104.181","0.006","90","","6735.9","0.7","120.02","0.16","120.02","0.16","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H13 Br Cl F3 N2 -","- C16 H13 Br Cl F3 N2 -","- C256 H208 Br16 Cl16 F48 N32 -","16","2","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.1118","0.066","","","0.1191","0.1368","","","","","","1.04","","","","has coordinates,has disorder","186448","2020-10-21","18:00:00",""
"7225949","12.0869","0.0014","8.1608","0.001","19.776","0.003","90","","102.192","0.012","90","","1906.7","0.4","120.01","0.15","120.01","0.15","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H6 Cl F3 N2 -","- C9 H6 Cl F3 N2 -","- C72 H48 Cl8 F24 N16 -","8","1","","Chapman, Michael R.; Kwan, Maria H. T.; King, Georgina E.; Kyffin, Benjamin A.; Blacker, A. John; Willans, Charlotte E.; Nguyen, Bao N.","Rapid, metal-free and aqueous synthesis of imidazo[1,2-a]pyridine under ambient conditions","Green Chem.","2016","18","17","4623","","10.1039/C6GC01601D","","x-ray","0.71073","MoKα","","0.1075","0.0707","","","0.1274","0.1426","","","","","","1.091","","","","has coordinates","186448","2020-10-21","18:00:00",""
"7226076","26.3193","0.0011","13.1295","0.0005","22.7708","0.0012","90","","113.736","0.005","90","","7203","0.6","149.8","0.3","149.8","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Na3Cr6]-4","complex 4","","- C62 H66 Cr6 N7 Na3 O27 -","- C62 H63 Cr6 N7 Na3 O27 -","- C248 H252 Cr24 N28 Na12 O108 -","4","0.5","","Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel","Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks.","RSC Adv.","2016","","","","","10.1039/C6RA14811E","","","0.71073","MoKα","","0.0793","0.0483","","","0.1153","0.1315","","","","","","1.019","","","","has coordinates","184718","2020-10-21","18:00:00",""
"7226280","17.1106","0.0005","7.1272","0.0002","13.5589","0.0004","90","","104.115","0.003","90","","1603.59","0.08","289.9","","289.9","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","TTF3","TTF3","","- C14 H12 S6 -","- C14 H12 S6 -","- C56 H48 S24 -","4","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","1.5418","CuKα","","0.0559","0.0528","","","0.1535","0.1619","","","","","","1.094","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226286","14.7684","0.0005","13.5962","0.0004","22.7333","0.001","90","","103.105","0.004","90","","4445.8","0.3","110","2","110","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","(TTN2)(C60)","(TTN2)(C60)","","- C78 H16 O4 S4 -","- C78 H16 O4 S4 -","- C312 H64 O16 S16 -","4","0.5","","Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng","Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes","RSC Adv.","2016","","","","","10.1039/C6RA18945H","","","1.5418","CuKα","","0.0726","0.0681","","","0.1877","0.1909","","","","","","1.138","","","","has coordinates","185862","2020-10-21","18:00:00",""
"7226288","27.518","0.012","9.894","0.004","45.122","0.019","90","","106.22","0.02","90","","11796","9","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C36 H28.5 N3.5 -","- C36 H28.5 N3.5 -","- C576 H456 N56 -","16","2","","Zhang, Tengfei; zhang, ran; Zhang, Zhao-Ming; Ni, Zhong-Hai","A series of tetraphenylethene-based benzimidazoles: syntheses, structures, aggregation-induced emission and reversible mechanochromism","RSC Adv.","2016","","","","","10.1039/C6RA16514A","","","0.71073","MoKα","","0.1743","0.0619","","","0.1232","0.1575","","","","","","1.007","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7226660","10.0349","0.0003","15.1394","0.0005","26.2883","0.0009","90","","97.571","0.002","90","","3959","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H37 N9 O6 S2 Sn -","- C39 H37 N9 O6 S2 Sn -","- C156 H148 N36 O24 S8 Sn4 -","4","0.5","","Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.","Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes","CrystEngComm","2016","18","43","8419","","10.1039/C6CE01567K","","","0.71073","MoKα","","0.021","0.019","","","0.0455","0.0464","","","","","","1.045","","","","has coordinates","188082","2020-10-21","18:00:00",""
"7227328","20.178","0.002","4.0966","0.0004","25.538","0.002","90","","99.66","0.009","90","","2081.1","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C11 H7 N O6 -","- C11 H7 N O6 -","- C88 H56 N8 O48 -","8","1","","Pramanik, Apurba; Haldar, Debasish","Packing-induced solid-state fluorescence and thermochromic behavior of peptidic luminophores","RSC Adv.","2017","7","1","389","","10.1039/C6RA24799G","","x-ray","0.71073","MoKα","","0.0844","0.0641","","","0.1602","0.1721","","","","","","1.153","","","","has coordinates","189382","2020-10-21","18:00:00",""
"7227613","13.7987","0.0005","11.449","0.0005","12.1306","0.0006","90","","96.794","0.004","90","","1902.95","0.14","127.3","0.6","127.3","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Ag B F4 N6 O2 -","- C16 H14 Ag B F4 N6 O2 -","- C64 H56 Ag4 B4 F16 N24 O8 -","4","0.5","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","x-ray","0.71073","MoKα","","0.0439","0.0414","","","0.1115","0.1137","","","","","","1.094","","","","has coordinates,has disorder","191222","2020-10-21","18:00:00",""
"7227646","16.028","0.005","12.352","0.004","17.52","0.005","90","","104.455","0.019","90","","3358.8","1.8","108","2","108","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Bis(trifluormethyl)dimethylfluoranthen","","- C22 H16 F6 -","- C22 H16 F6 -","- C176 H128 F48 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0516","0.0352","","","0.0883","0.1009","","","","","","1.04","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7227650","12.017","0.002","7.1071","0.0014","35.635","0.007","90","","92.848","0.005","90","","3039.7","1","133","2","133","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter","Solid state structures of fluorine-rich fluoranthenes","CrystEngComm","2017","19","9","1328","","10.1039/C6CE02558G","","","0.71073","MoKα","","0.0596","0.0462","","","0.1194","0.1313","","","","","","1.062","","","","has coordinates","193769","2020-10-21","18:00:00",""
"7228129","16.8612","0.0005","10.8847","0.0003","39.3807","0.0011","90","","101.781","0.003","90","","7075.3","0.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H39 Cl3 F N3 O7 -","- C36 H39 Cl3 F N3 O7 -","- C288 H312 Cl24 F8 N24 O56 -","8","1","","Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu","Novel solid forms of lonidamine: crystal structures and physicochemical properties","CrystEngComm","2017","","","","","10.1039/C7CE00651A","","x-ray","0.71073","MoKα","","0.0634","0.0478","","","0.1043","0.1109","","","","","","1.024","","","","has coordinates,has disorder","195837","2020-10-21","18:00:00",""
"7228655","23.508","0.005","5.978","0.0012","25.257","0.005","90","","99.95","0.03","90","","3496","1.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H22 Cu3 N8 O10 -","- C32 H22 Cu3 N8 O10 -","- C128 H88 Cu12 N32 O40 -","4","0.5","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0378","0.036","","","0.1009","0.1029","","","","","","1.05","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228822","17.6894","0.0018","6.6145","0.0007","23.997","0.003","90","","100.392","0.011","90","","2761.7","0.5","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H24 N O4 P -","- C10 H24 N O4 P -","- C80 H192 N8 O32 P8 -","8","1","","Bhat, Gulzar A.; Kalita, Alok Ch; Murugavel, Ramaswamy","Intriguing Structural Chemistry of Neutral and Anionic Layered Monoalkylphosphates: Single-Source Precursors for High-Yield Ceramic Phosphates","CrystEngComm","2017","","","","","10.1039/C7CE01066D","","","0.71073","MoKα","","0.0821","0.0592","","","0.1361","0.1503","","","","","","1.049","","","","has coordinates","199448","2020-10-21","18:00:00",""
"7228958","10.4917","0.0002","25.8936","0.0005","18.0444","0.0003","90","","92.0418","0.0017","90","","4898.97","0.16","136.12","0.18","136.12","0.18","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 Cl2 N2 O2 -","- C28 H22 Cl2 N2 O2 -","- C224 H176 Cl16 N16 O16 -","8","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0633","0.0572","","","0.1535","0.1628","","","","","","1.033","","","","has coordinates","199896","2020-10-21","18:00:00",""
"7229030","23.1622","0.0003","3.828","0.0001","31.4881","0.0003","90","","99.68","0.001","90","","2752.14","0.08","293.3","0.3","293.3","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","4b","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C128 H88 Cl8 N16 O16 -","8","1","","Park, Yongseok; Fei, Xiang; Yuan, Yue; Lee, Sanha; Hur, Joonseong; Park, Sung Jean; Jung, Jae-Kyung; Seo, Seung-Yong","Chemoselective acylation of 2-amino-8-quinolinol in the generation of C2-amides or C8-esters","RSC Adv.","2017","7","67","41955","","10.1039/C7RA05287A","","x-ray","1.54184","CuKα","","0.0446","0.0436","","","0.1261","0.1273","","","","","","1.041","","","","has coordinates","200025","2020-10-21","18:00:00",""
"7229203","14.9365","0.0009","11.352","0.0006","15.1862","0.001","90","","113.086","0.008","90","","2368.7","0.3","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H16 Br8 N2 Te -","- C12 H16 Br8 N2 Te -","- C48 H64 Br32 N8 Te4 -","4","0.5","","Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P.","One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts","CrystEngComm","2017","","","","","10.1039/C7CE01487B","","x-ray","0.71073","MoKα","","0.0257","0.021","","","0.0446","0.0461","","","","","","1.065","","","","has coordinates,has disorder","201010","2020-10-21","18:00:00",""
"7229460","12.0821","0.0002","17.9808","0.0002","22.7546","0.0003","90","","96.032","0.001","90","","4915.97","0.12","199.97","0.14","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Cis-5,10-bis(pentafluorophenyl)-15,20-bis(3,4-dimethoxyphenyl)porphyrin","","- C50 H30 Cl6 F10 N4 O4 -","- C50 H30 Cl6 F10 N4 O4 -","- C200 H120 Cl24 F40 N16 O16 -","4","0.5","","Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.","Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins","RSC Adv.","2017","7","80","50610","","10.1039/C7RA08734A","","x-ray","1.54184","CuKα","","0.0708","0.0659","","","0.1873","0.1943","","","","","","1.034","","","","has coordinates,has disorder","202474","2020-10-21","18:00:00",""
"7229830","13.5045","0.0003","23.0471","0.0004","15.8666","0.0004","90","","114.098","0.003","90","","4507.9","0.2","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H30 N4 O12 S3 Zn2 -","- C48 H30 N4 O12 S3 Zn2 -","- C192 H120 N16 O48 S12 Zn8 -","4","0.5","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0571","0.0505","","","0.1252","0.1292","","","","","","1.127","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7230151","7.488","0.005","15.981","0.005","12.179","0.005","90","0.005","105.711","0.005","90","0.005","1403","1.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H10 Cl2 N3 O2 -","- C15 H10 Cl2 N3 O2 -","- C60 H40 Cl8 N12 O8 -","4","0.5","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.189","0.17","","","","0.4811","","","","","","1.89","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230212","14.396","0.003","14.183","0.003","15.458","0.003","90","","114.23","0.03","90","","2878.1","1.2","170","0.1","170","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H12 Cl12 Cu2 N4 -","- C20 H12 Cl12 Cu2 N4 -","- C80 H48 Cl48 Cu8 N16 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0237","0.0202","","","0.0503","0.052","","","","","","1.037","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230391","16.901","0.003","9.2057","0.0013","47.963","0.008","90","","91.149","0.006","90","","7461","2","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H35 Cl4 N4 O3 -","- C40 H35 Cl4 N4 O3 -","- C320 H280 Cl32 N32 O24 -","8","1","","Giannoulis, A.; Ackermann, K.; Spindler, P. E.; Higgins, C.; Cordes, D. B.; Slawin, A. M. Z.; Prisner, T. F.; Bode, B. E.","Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities.","Physical chemistry chemical physics : PCCP","2018","20","16","11196","11205","10.1039/c8cp01611a","","","0.71075","MoKα","","0.1332","0.1008","","","0.281","0.3125","","","","","","1.137","","","","has coordinates,has disorder","230926","2020-10-21","18:00:00",""
"7230757","11.4292","0.0009","8.7331","0.0016","8.876","0.0014","90","","96.18","0.01","90","","880.8","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","dimethylammonium copper formate","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41096","synchrotron","","0.0668","0.0442","","","0.103","0.134","","","","","","1.16","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230761","11.3613","0.0003","8.6208","0.0005","8.718","0.0005","90","","95.658","0.003","90","","849.71","0.07","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.047","0.033","","","0.0723","0.0914","","","","","","1.158","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230762","10.9738","0.0006","8.4692","0.0011","8.109","0.0009","90","","94.187","0.007","90","","751.63","0.13","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0623","0.0442","","","0.1076","0.1271","","","","","","1.12","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230763","11.39538","0.00018","8.6694","0.0004","8.7825","0.0004","90","","95.884","0.002","90","","863.06","0.06","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.048","0.0335","","","0.077","0.1008","","","","","","1.187","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230764","11.27196","0.00014","8.5295","0.0003","8.5611","0.0003","90","","95.1904","0.0017","90","","819.72","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0501","0.0359","","","0.0837","0.1012","","","","","","1.129","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230768","11.22268","0.00013","8.4953","0.0003","8.4836","0.0002","90","","94.9859","0.0018","90","","805.77","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0569","0.0401","","","0.092","0.1092","","","","","","1.149","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230769","11.08603","0.00018","8.4489","0.0004","8.2715","0.0003","90","","94.553","0.003","90","","772.3","0.05","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0734","0.0514","","","0.1259","0.1499","","","","","","1.082","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230782","11.3229","0.0005","8.5761","0.0008","8.6487","0.0008","90","","95.432","0.005","90","","836.07","0.12","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0498","0.0337","","","0.0786","0.0989","","","","","","1.146","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230783","11.16852","0.00013","8.4704","0.0003","8.3956","0.0002","90","","94.7845","0.0018","90","","791.47","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.063","0.0457","","","0.1054","0.122","","","","","","1.111","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230828","13.7036","0.0012","15.5273","0.001","15.8979","0.0011","90","","111.746","0.009","90","","3142","0.5","295","","295","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H16 Cl2 Co F8 I2 N4 -","- C28 H16 Cl2 Co F8 I2 N4 -","- C112 H64 Cl8 Co4 F32 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0713","0.0599","","","0.1486","0.1582","","","","","","1.074","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7231124","25.7978","0.0013","14.0191","0.0005","26.2388","0.0009","90","","114.875","0.003","90","","8609.2","0.6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C164 H128 Cd8 N24 O54 -","- C164 H128 Cd8 N24 O54 -","- C328 H256 Cd16 N48 O108 -","2","0.25","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0827","0.0587","","","0.1533","0.1667","","","","","","1.041","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231673","20.681","0.0013","10.5543","0.0007","23.8451","0.0015","90","","91.587","0.005","90","","5202.8","0.6","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C31 H24 Br N5 O3 -","- C31 H24 Br N5 O3 -","- C248 H192 Br8 N40 O24 -","8","1","","Reddy, Marri Sameer; Kumar, Nandigama Satish; Chowhan, L. Raju","Heterogeneous graphene oxide as recyclable catalyst for azomethine ylide mediated 1,3 dipolar cycloaddition reaction in aqueous medium","RSC Advances","2018","8","62","35587","","10.1039/C8RA06714G","","","0.71075","MoKα","","","0.0414","","","","0.1336","","","","","","0.965","","","","has coordinates","211517","2020-10-21","18:00:00",""
"7232124","17.008","0.002","10.0083","0.001","19.248","0.002","90","","108.513","0.01","90","","3106.9","0.6","299","2","299","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Cocrystal between 1,2-bis(iodoethynyl)benzene and 4-stilbazole","","","- C18 H13 I N -","- C18 H13 I N -","- C144 H104 I8 N8 -","8","1","","Bosch, Eric; Kruse, Samantha J.; Groeneman, Ryan H.","Infinite and discrete halogen bonded assemblies based upon 1,2-bis(iodoethynyl)benzene","CrystEngComm","2019","21","6","990","","10.1039/C8CE01984C","","","0.71073","MoKα","","0.0435","0.0277","","","0.0619","0.0707","","","","","","1.013","","","","has coordinates","223598","2020-10-21","18:00:00",""
"7232163","29.4101","0.001","8.4373","0.0002","30.7626","0.0011","90","","115.777","0.002","90","","6873.9","0.4","190","2","190","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H34 N2 O3 S -","- C35 H34 N2 O3 S -","- C280 H272 N16 O24 S8 -","8","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium‒pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.168","0.0738","","","0.1717","0.2083","","","","","","0.986","","","","has coordinates","213041","2020-10-21","18:00:00",""
"7232315","22.194","0.002","7.5879","0.0007","15.5112","0.0012","90","","97.479","0.01","90","","2590","0.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H28 Cl2 N4 O6 V2 -","- C22 H28 Cl2 N4 O6 V2 -","- C88 H112 Cl8 N16 O24 V8 -","4","0.5","","Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Analysis of energies of halogen and hydrogen bonding interactions in the solid state structures of vanadyl Schiff base complexes","RSC Advances","2019","9","9","4789","","10.1039/C8RA09947B","","","0.71073","MoKα","","0.0595","0.0443","","","0.1015","0.1075","","","","","","1.06","","","","has coordinates","213526","2020-10-21","18:00:00",""
"7232567","9.661","0.0004","6.841","0.0003","14.3353","0.0007","90","","97.453","0.004","90","","939.43","0.07","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Cu N2 O10 -","- C6 H4 Cu N2 O10 -","- C24 H16 Cu4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0399","0.0383","","","","0.1056","","","","","","1.065","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232569","9.7318","0.0004","6.8338","0.0004","14.4055","0.0007","90","","98.472","0.004","90","","947.59","0.08","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Co N2 O10 -","- C6 H4 Co N2 O10 -","- C24 H16 Co4 N8 O40 -","4","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Nitranilic acid as a basis for construction of coordination polymers: from discrete monomers to 3D networks","CrystEngComm","2019","21","18","2962","","10.1039/C9CE00209J","","","1.54179","CuKα","","0.0434","0.0416","","","","0.1141","","","","","","1.233","","","","has coordinates","223687","2020-10-21","18:00:00",""
"7232990","13.5686","0.0004","13.2178","0.0005","13.779","0.0005","90","","105.947","0.004","90","","2376.12","0.15","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","BhHASOD","","- C29 H25 B F2 N4 -","- C29 H25 B F2 N4 -","- C116 H100 B4 F8 N16 -","4","0.5","","Hassanain, Hawazen; Davies, Edward Stephen; Lewis, William; Kays, Deborah Lorraine; Champness, Neil R.","Structural Characterization and Optical Properties of Two Copper(I)-Iodide BODIPY Coordination Polymers","CrystEngComm","2019","","","","","10.1039/C9CE00845D","","x-ray","1.54184","CuKα","","0.0492","0.0405","","","0.104","0.1102","","","","","","1.04","","","","has coordinates","216666","2020-10-21","18:00:00",""
"7233111","7.2589","0.0007","10.3706","0.001","19.2258","0.0017","90","","98.742","0.009","90","","1430.5","0.2","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","diaquabis(glycinamide)nickel(II) iodide","","- C4 H16 I2 N4 Ni O4 -","- C4 H16 I2 N4 Ni O4 -","- C16 H64 I8 N16 Ni4 O16 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Prugovečki, Biserka; Đilović, Ivica; Kirasić, Inka; Žilić, Dijana; Muratović, Senada; Matković-Čalogović, Dubravka","Cobalt, nickel and copper complexes with glycinamide: structural insights and magnetic properties","RSC Advances","2019","9","38","21637","","10.1039/C9RA03693H","","","0.71073","MoKα","","0.0406","0.0353","","","0.0993","0.102","","","","","","1.19","","","","has coordinates","217002","2020-10-21","18:00:00",""
"7233340","21.5274","0.0003","12.464","0.0002","39.1836","0.0005","90","","95.484","0.001","90","","10465.5","0.3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H49.5 Ce N6 O4.5 S3 -","- C48 H49.5 Ce N6 O4.5 S3 -","- C384 H396 Ce8 N48 O36 S24 -","8","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Grishin, Ivan D.; Rozhkov, Anton V.; Rumyantcev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Cerium(iii) complexes with azolyl-substituted thiophenolate ligands: synthesis, structure and red luminescence","RSC Advances","2019","9","42","24110","","10.1039/C9RA03199E","","","0.71073","MoKα","","0.077","0.0577","","","0.1658","0.1826","","","","","","1.03","","","","has coordinates,has disorder","217422","2020-10-21","18:00:00",""
"7233455","9.337","0.0005","4.60528","0.00024","11.4184","0.0006","90","","82.134","0.005","90","","486.37","0.04","295","","295","","0.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1376","","1.12","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233456","9.3394","0.0007","4.57648","0.0003","11.3816","0.0007","90","","82.16","0.006","90","","481.92","0.06","295","","295","","0.36","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1442","","0.96","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233457","9.485","0.0005","3.70468","0.00011","12.9889","0.0007","90","","77.632","0.004","90","","445.82","0.04","295","","295","","0.9","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0905","","1.593","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233458","9.4444","0.0005","3.46902","0.00011","13.1315","0.0007","90","","77.318","0.004","90","","419.73","0.03","295","","295","","2.25","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1113","","1.03","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233459","9.4568","0.0004","3.51779","0.00009","13.1178","0.0006","90","","77.346","0.004","90","","425.79","0.03","295","","295","","1.87","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0863","","1.824","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233460","9.4526","0.0005","3.49778","0.00011","13.1229","0.0008","90","","77.341","0.005","90","","423.34","0.04","295","","295","","2.02","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1134","","1.136","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233461","9.338","0.0006","4.59377","0.00029","11.4034","0.0007","90","","82.154","0.006","90","","484.59","0.05","295","","295","","0.26","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.158","","0.934","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233462","9.3429","0.0005","4.55499","0.00024","11.3567","0.0006","90","","82.183","0.005","90","","478.81","0.04","295","","295","","0.5","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1224","","1.146","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233463","9.4344","0.0005","3.44007","0.0001","13.1345","0.0007","90","","77.317","0.004","90","","415.88","0.03","295","","295","","2.53","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0969","","1.069","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233464","9.4644","0.0005","3.5503","0.00011","13.1017","0.0007","90","","77.388","0.004","90","","429.61","0.04","295","","295","","1.63","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0949","","1","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233465","9.4768","0.0005","3.61125","0.00013","13.0677","0.0008","90","","77.463","0.005","90","","436.55","0.04","295","","295","","1.31","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0907","","1.057","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233466","9.419","0.0005","3.39405","0.0001","13.1379","0.0007","90","","77.31","0.004","90","","409.74","0.03","295","","295","","3.04","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.077","","1.126","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233467","9.4251","0.0005","3.41438","0.0001","13.1382","0.0007","90","","77.309","0.004","90","","412.47","0.03","295","","295","","2.81","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0799","","1.009","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233468","9.4033","0.0005","3.35415","0.0001","13.132","0.0007","90","","77.321","0.005","90","","404.08","0.03","295","","295","","3.57","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0836","","1.062","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233469","9.4113","0.0005","3.37412","0.0001","13.1358","0.0007","90","","77.317","0.004","90","","406.95","0.03","295","","295","","3.28","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.089","","1.008","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233470","9.4872","0.0007","3.81402","0.00019","12.8589","0.001","90","","77.936","0.007","90","","455.02","0.06","295","","295","","0.62","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1509","","1.495","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233471","9.3926","0.0005","3.33285","0.0001","13.1269","0.0007","90","","77.329","0.005","90","","400.92","0.03","295","","295","","3.89","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.0904","","1.02","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233472","9.3308","0.0008","4.6415","0.0004","11.4721","0.001","90","","82.069","0.006","90","","492.09","0.07","295","","295","","0","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1352","","1.318","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233473","9.3332","0.0008","4.6196","0.0004","11.4456","0.0009","90","","82.101","0.007","90","","488.8","0.07","295","","295","","0.1","","","","","","Sigma Aldrich","4","I 1 2/a 1","-I 2ya","15","Biurea","","","- C D3 N2 O -","- C D3 N2 O -","- C8 D24 N16 O8 -","8","1","","Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.","Pressure-induced isosymmetric phase transition in biurea","CrystEngComm","2019","21","39","5872","","10.1039/C9CE01028A","powder diffraction","","","Neutron","","","","","","","","0.1775","","1.0075","","","","","","","has coordinates","223570","2020-10-21","18:00:00",""
"7233504","11.2522","0.0002","24.9636","0.0004","18.4374","0.0004","90","","104.987","0.002","90","","5002.82","0.17","173","2","173","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H50 Cl4 Si3 -","- C52 H50 Cl4 Si3 -","- C208 H200 Cl16 Si12 -","4","0.5","","Engui Zhao; Jacky W. Y. Lam; Yuning Hong; Jianzhao Liu; Qian Peng; Jianhua Hao; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","How do substituents affect silole emission?","Journal of Materials Chemistry C","2013","1","","5661","5668","10.1039/C3TC30880D","","x-ray","1.5418","CuKα","","0.0611","0.0587","","","0.1619","0.1644","","","","","","1.013","","","","has coordinates","217774","2020-10-21","18:00:00",""
"7233543","15.4695","0.0012","11.6758","0.0005","15.9648","0.001","90","","112.858","0.008","90","","2657.1","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","(+/-)Synephrine Terephthalic acid (1:0.5) monohydrate","","","- C13 H18 N O5 -","- C13 H18 N O5 -","- C104 H144 N8 O40 -","8","1","","Dash, Sibananda G.; Thakur, Tejender S.","Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.","Physical Chemistry Chemical Physics","2019","","","","","10.1039/C9CP03164B","","","0.71073","MoKα","","0.0863","0.057","","","0.136","0.1606","","","","","","1.049","","","","has coordinates","217820","2020-10-21","18:00:00",""
"7233727","18.7356","0.0012","7.1485","0.0008","21.1647","0.0018","90","","102.602","0.008","90","","2766.3","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 Cl4 N2 O2 -","- C12 H9 Cl4 N2 O2 -","- C96 H72 Cl32 N16 O16 -","8","1","","Molcanov, Kresimir; Milasinovic, Valentina; Ivic, Nives; Stilinović, Vladimir; Kolaric, Dinko; Kojic-Prodic, Biserka","Influence of organic cations on stacking of semiquinone radical anions","CrystEngComm","2019","","","","","10.1039/C9CE00919A","","","1.54184","CuKα","","0.0871","0.0683","","","","0.2296","","","","","","1.101","","","","has coordinates","218107","2020-10-21","18:00:00",""
"7233917","17.5323","0.0006","3.8438","0.0001","34.5553","0.001","90","","100.079","0.003","90","","2292.77","0.12","130","1","130","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H22 Cl2 Hg N4 O3 -","- C24 H22 Cl2 Hg N4 O3 -","- C96 H88 Cl8 Hg4 N16 O12 -","4","0.5","","Hajiashrafi, Taraneh; Salehi, Shiva; Kubicki, Maciej; Bauzá, Antonio; Frontera, Antonio; Flanagan, Keith J.; Senge, Mathias O.","Solid-state supramolecular architectures of a series of Hg(ii) halide coordination compounds based on hydroxyl-substituted Schiff base ligands","CrystEngComm","2019","21","41","6301","","10.1039/C9CE01078E","","x-ray","0.71073","MoKα","","0.0243","0.0223","","","0.0559","0.0563","","","","","","1.128","","","","has coordinates","223510","2020-10-21","18:00:00",""
"7234590","22.4889","0.0008","9.0891","0.0004","38.7408","0.0012","90","","102.185","0.003","90","","7740.4","0.5","109.95","0.1","110","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H68 O6 P2 Ru -","- C34 H68 O6 P2 Ru -","- C272 H544 O48 P16 Ru8 -","8","1","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","0.71073","MoKα","","0.0339","0.0272","","","0.0625","0.0652","","","","","","1.047","","","","has coordinates","219333","2020-10-21","18:00:00",""
"7234593","23.178","0.0005","9.2295","0.0003","38.6832","0.0008","90","","102.737","0.002","90","","8071.5","0.4","109.85","0.1","109.85","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H54 F10 O6 P2 Ru -","- C32 H54 F10 O6 P2 Ru -","- C256 H432 F80 O48 P16 Ru8 -","8","1","","Janine Jeschke; Stefan Mockel; Marcus Korb; Tobias Ruffer; Khaybar Assim; Marcel Melzer; Gordon Herwig; Colin Georgi; Stefan E. Schulz; Heinrich Lang","Chemical vapor deposition of ruthenium-based layers by a single-source approach","Journal of Materials Chemistry C","2016","4","","2319","2328","10.1039/C5TC03930D","","","0.71073","MoKα","","0.0361","0.0307","","","0.0781","0.0811","","","","","","1.041","","","","has coordinates","219333","2020-10-21","18:00:00",""
"7234747","15.884","0.0006","7.23","0.0002","32.8613","0.0011","90","","90.675","0.003","90","","3773.6","0.2","292.4","0.5","292.4","0.5","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H15 Br N O2 -","- C22 H15 Br N O2 -","- C176 H120 Br8 N8 O16 -","8","1","","Peng, Fu; Zhao, Qian; Huang, Wei; Liu, Shuai-Jiang; Zhong, Ya-Jun; Mao, Qing; Zhang, Nan; He, Gu; Han, Bo","Amine-catalyzed and functional group-controlled chemo- and regioselective synthesis of multi-functionalized CF3-benzene via a metal-free process","Green Chemistry","2019","","","","","10.1039/C9GC02694K","","x-ray","1.54184","CuKα","","0.0641","0.0582","","","0.1593","0.1688","","","","","","1.022","","","","has coordinates","219460","2020-10-21","18:00:00",""
"7234892","8.446","0.0003","5.58942","0.00019","50.2534","0.0015","90","","92.829","0.003","90","","2369.48","0.14","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","Gilles H. Roche; Yu-Tang Tsai; Simon Clevers; Damien Thuau; Frederic Castet; Yves H. Geerts; Joel J. E. Moreau; Guillaume Wantz; Olivier J. Dautel","The role of H-bonds in the solid state organization of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) structures: bis(hydroxy-hexyl)-BTBT, as a functional derivative offering efficient air stable organic field effect transistors (OFETs)","Journal of Materials Chemistry C","2016","4","","6742","6749","10.1039/C6TC01814A","","","0.71073","MoKα","","0.0403","0.0357","","0.0303","0.0272","0.0272","","","","","","1.0996","","","","has coordinates","220594","2020-10-21","18:00:00",""
"7235192","18.0389","0.0004","10.7179","0.0003","23.219","0.0006","90","","95.19","0.002","90","","4470.7","0.2","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Iodo-(3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper","","- C22 H32 Cu I N4 -","- C22 H32 Cu I N4 -","- C176 H256 Cu8 I8 N32 -","8","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0218","0.0202","","","0.0495","0.0502","","","","","","1.055","","","","has coordinates","231041","2020-10-21","18:00:00",""
"7236071","17.264","0.003","6.5684","0.0002","17.7966","0.0019","90","","91.4","0.02","90","","2017.5","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C8 H14 F3 N O2 -","- C8 H14 F3 N O2 -","- C64 H112 F24 N8 O16 -","8","1","","Guo, Jiangbin; Tang, Wen; Wu, Binbin; Zhao, Haixia; Long, Lasheng; Zheng, Lansun","Thermal energy storage in a supramolecular assembly of [C6H11NH3]+[CF3COO]−(C6H11 = cyclohexyl)","Journal of Materials Chemistry A","2015","3","24","12616","","10.1039/C5TA02166A","","","0.71073","MoKα","","0.033","0.0301","","","0.0804","0.0833","","","","","","1.041","","","","has coordinates","233896","2020-10-21","18:00:00",""
"7236134","21.0998","0.0014","3.843","0.0003","25.414","0.002","90","","93.027","0.002","90","","2057.9","0.3","100","","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C5 H10 N10 O3 -","- C5 H10 N10 O3 -","- C40 H80 N80 O24 -","8","1","","Yin, Ping; He, Chunlin; Shreeve, Jean'ne M.","Fused heterocycle-based energetic salts: alliance of pyrazole and 1,2,3-triazole","Journal of Materials Chemistry A","2016","4","4","1514","","10.1039/C5TA09999D","","x-ray","0.71073","MoKα","","0.0554","0.0391","","","0.082","0.0887","","","","","","1.111","","","","has coordinates","233948","2020-10-21","18:00:00",""
"7236145","15.4537","0.0014","9.1572","0.0008","43.467","0.004","90","","92.602","0.004","90","","6144.8","1","173.15","","173.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H37 Cl N3 O5 -","- C32 H37 Cl N3 O5 -","- C256 H296 Cl8 N24 O40 -","8","1","","Majumder, Joydeb; Deb, Jolly; Husain, Ahmad; Jana, Siddhartha Sankar; Dastidar, Parthasarathi","Cetirizine derived supramolecular topical gel in action: rational design, characterization and in vivo self-delivery application in treating skin allergy in mice","Journal of Materials Chemistry B","2015","3","32","6634","","10.1039/C5TB00676G","","","0.71073","MoKα","","0.1662","0.0937","","","0.2513","0.2803","","","","","","1.04","","","","has coordinates,has disorder","233962","2020-10-21","18:00:00",""
"7236246","16.3801","0.0011","10.1789","0.0007","24.6397","0.0019","90","","107.967","0.004","90","","3907.9","0.5","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H22 N4 O2 S2 -","- C20 H22 N4 O2 S2 -","- C160 H176 N32 O16 S16 -","8","1","","Leeza Zaidi, Saadia; Agarwal, Subhash M.; Chavalitshewinkoon-Petmitr, Porntip; Suksangpleng, Thidarat; Ahmad, Kamal; Avecilla, Fernando; Azam, Amir","Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies","RSC Advances","2016","6","93","90371","","10.1039/C6RA15181G","","","0.71073","MoKα","","0.0399","0.0327","","","0.0828","0.0876","","","","","","1.058","","","","has coordinates","235308","2020-10-21","18:00:00",""
"7236412","13.9619","0.0016","41.194","0.005","17.1363","0.0016","90","","102.485","0.007","90","","9622.8","1.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C22 H11 Co N3 O4 -","- C22 H11 Co N3 O4 -","- C176 H88 Co8 N24 O32 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.2324","0.1388","","","0.3957","0.4319","","","","","","1.23","","","","has coordinates","235490","2020-10-21","18:00:00",""
"7236413","13.7763","0.0011","40.73","0.006","17.9835","0.0014","90","","101.209","0.002","90","","9898.2","1.8","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C22 H11 Mn N3 O6 -","- C22 H11 Mn N3 O6 -","- C176 H88 Mn8 N24 O48 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.3694","0.1177","","","0.3329","0.4213","","","","","","0.958","","","","has coordinates","235490","2020-10-21","18:00:00",""
"7236415","14.004","0.0014","41.869","0.005","17.1369","0.0017","90","","104.489","0.003","90","","9728.4","1.8","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C24 H17 Cd N3 O6 S -","- C24 H17 Cd N3 O6 S -","- C192 H136 Cd8 N24 O48 S8 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.1801","0.1699","","","0.4741","0.4914","","","","","","2.383","","","","has coordinates,has disorder","235490","2020-10-21","18:00:00",""
"7236416","13.9438","0.0015","42.307","0.006","16.9583","0.0016","90","","104.249","0.007","90","","9696","2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Tripticene triacid","","- C25 H13 Br Cd N3 O7 -","- C25 H13 Br Cd N3 O7 -","- C200 H104 Br8 Cd8 N24 O56 -","8","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Orthogonal self-assembly of a trigonal triptycene triacid: signaling of exfoliation of porous 2D metal‒organic layers by fluorescence and selective CO2 capture by the hydrogen-bonded MOF","Journal of Materials Chemistry A","2017","5","11","5402","","10.1039/C6TA11110F","","","0.71073","MoKα","","0.2267","0.1802","","","0.4784","0.5026","","","","","","1.84","","","","has coordinates,has disorder","235490","2020-10-21","18:00:00",""
"7236437","14.8761","0.0008","9.7832","0.0008","29.3191","0.0019","90","","102.336","0.006","90","","4168.5","0.5","293.15","","293.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C192 H200 N8 O32 -","8","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","x-ray","1.54184","CuKα","","0.0999","0.0735","","","0.1888","0.2221","","","","","","1.045","","","","has coordinates","235511","2020-10-21","18:00:00",""
"7236526","17.4164","0.0006","14.2453","0.0004","20.4424","0.0007","90","","114.512","0.004","90","","4614.7","0.3","122.35","0.1","122.35","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H29 Eu2 N11 O16 -","- C36 H29 Eu2 N11 O16 -","- C144 H116 Eu8 N44 O64 -","4","0.5","","Wang, Lu; Fan, Guilan; Xu, Xiufang; Chen, Diming; Wang, Liang; Shi, Wei; Cheng, Peng","Detection of polychlorinated benzenes (persistent organic pollutants) by a luminescent sensor based on a lanthanide metal‒organic framework","Journal of Materials Chemistry A","2017","5","11","5541","","10.1039/C7TA00256D","","","0.71073","MoKα","","0.0505","0.0412","","","0.1313","0.1417","","","","","","1.003","","","","has coordinates","236275","2020-10-21","18:00:00",""
"7236685","34.0369","0.0015","9.7317","0.0004","22.916","0.0008","90","","90.574","0.003","90","","7590.2","0.5","99.95","0.18","99.95","0.18","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C88 H98 N4 O3 -","- C88 H74 N4 O3 -","- C352 H296 N16 O12 -","4","0.5","","Zhao, Zheng; Su, Huifang; Zhang, Pengfei; Cai, Yuanjing; Kwok, Ryan T. K.; Chen, Yuncong; He, Zikai; Gu, Xinggui; He, Xuewen; Sung, Herman H. Y.; Willimas, Ian D.; Lam, Jacky W. Y.; Zhang, Zhenfeng; Tang, Ben Zhong","Polyyne bridged AIE luminogens with red emission: design, synthesis, properties and applications","Journal of Materials Chemistry B","2017","5","8","1650","","10.1039/C7TB00112F","","x-ray","0.71073","MoKα","","0.1168","0.0742","","","0.1722","0.1941","","","","","","1.001","","","","has coordinates,has disorder","236424","2020-10-21","18:00:00",""
"7236748","15.122","0.003","24.292","0.004","19.265","0.005","90","","92.237","0.002","90","","7071","3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Tetrakis[2-phenyl-4-(2,4,6-trimethylphenyl)pyridine-C2,N?]-bis(?-oxamidato-N,N?,O,O?)diiridium(III)","","- C88 H88 Ir2 N6 O2 -","- C82 H74 Ir2 N6 O2 -","- C328 H296 Ir8 N24 O8 -","4","0.5","","M’hamedi, Ahmed; Fox, Mark A.; Batsanov, Andrei S.; Al-Attar, Hameed A.; Monkman, Andrew P.; Bryce, Martin R.","Bright green PhOLEDs using cyclometalated diiridium(iii) complexes with bridging oxamidato ligands as phosphorescent dopants","Journal of Materials Chemistry C","2017","5","27","6777","","10.1039/C7TC00628D","","","0.6889","synchrotron","","0.0495","0.034","","","0.0776","0.083","","","","","","1.06","","","","has coordinates,has disorder","236477","2020-10-21","18:00:00",""
"7236886","28.958","0.011","13.786","0.006","30.357","0.009","90","","115.07","0.03","90","","10977","8","173","","173","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C47 H54.5 F12 Ir N12.5 O5 P2 -","- C47 H54.5 F12 Ir N12.5 O5 P2 -","- C376 H436 F96 Ir8 N100 O40 P16 -","8","1","","Henwood, Adam F.; Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Rees, Thomas W.; Momblona, Cristina; Babaei, Azin; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Zysman-Colman, Eli","Blue-emitting cationic iridium(iii) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices","Journal of Materials Chemistry C","2017","5","37","9638","","10.1039/C7TC03110F","","","0.71075","MoKα","","0.1019","0.0485","","","0.0847","0.0966","","","","","","0.918","","","","has coordinates","236601","2020-10-21","18:00:00",""
"7236975","21.5976","0.0018","7.7186","0.0004","18.3872","0.0016","90","","110.435","0.01","90","","2872.3","0.4","180","2","180","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H12 Br N O -","- C19 H12 Br N O -","- C152 H96 Br8 N8 O8 -","8","1","","Liu, Yang; Zhan, Ge; Fang, Peiyu; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Manipulating organic triplet harvesting in regioisomeric microcrystals","Journal of Materials Chemistry C","2017","5","47","12547","","10.1039/C7TC04634K","","","0.71073","MoKα","","0.0843","0.0535","","","0.131","0.1498","","","","","","1.056","","","","has coordinates","236681","2020-10-21","18:00:00",""
"7237238","7.6699","0.0003","16.336","0.0007","13.1719","0.0006","90","","91.06","0.004","90","","1650.1","0.12","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 Bi I4 N -","- C10 Bi I4 N -","- C40 Bi4 I16 N4 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.0333","0.0318","","","0.0753","0.076","","","","","","1.056","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237422","16.4734","0.0006","12.7322","0.0005","31.2845","0.0011","90","","99.973","0.003","90","","6462.5","0.4","100","1","100","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H30 F4 Ir N3 O3 -","- C40 H30 F4 Ir N3 O3 -","- C320 H240 F32 Ir8 N24 O24 -","8","1","","Witkowska, Ewelina; Wiosna-Salyga, Gabriela; Glowacki, Ireneusz; Orwat, Bartosz; Oh, Myong-joon; Kownacki, Ireneusz; Kubicki, Maciej; Gierczyk, Blazej; Dutkiewicz, Michal; Cieszko, Pawel; Luszczynska, Beata; Ulanski, Jacek; Grzelak, Izabela; Hoffmann, Marcin; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes","Journal of Materials Chemistry C","2018","6","32","8688","","10.1039/C8TC02890G","","x-ray","0.71073","MoKα","","0.0332","0.0264","","","0.0681","0.0722","","","","","","1.008","","","","has coordinates","237657","2020-10-21","18:00:00",""
"7237637","12.914","0.0007","22.0318","0.0014","17.9982","0.0014","90","","97.635","0.006","90","","5075.4","0.6","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","PDO2","3,7-bis(bis(4-methoxyphenyl)amino)-10-(4-(bis(4-methoxyphenyl)amino)phenyl)-10H-phenothiazine 5,5-dioxide","","- C60 H52 N4 O8 S -","- C60 H52 N4 O8 S -","- C240 H208 N16 O32 S4 -","4","0.5","","Ding, Xingdong; Chen, Cheng; Sun, Linghao; Li, Hongping; Chen, Hong; Su, Jie; Li, Huaming; Li, Henan; Xu, Li; Cheng, Ming","Highly efficient phenothiazine 5,5-dioxide-based hole transport materials for planar perovskite solar cells with a PCE exceeding 20%","Journal of Materials Chemistry A","2019","7","16","9510","","10.1039/C9TA00654K","","","0.71073","MoKα","","0.1123","0.0808","","","0.2294","0.2549","","","","","","1.074","","","","has coordinates,has disorder","238456","2020-10-21","18:00:00",""
"7237659","17.6239","0.0012","18.16","0.0012","20.5219","0.0013","90","","101.767","0.006","90","","6430","0.7","173.15","","173.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H43 B F2 N4 O9 Zn2 -","- C57 H43 B F2 N4 O9 Zn2 -","- C228 H172 B4 F8 N16 O36 Zn8 -","4","0.5","","Yang, Heng; Wang, Jinming; Ma, Ji; Yang, Hong; Zhang, Jing; Lv, Kangle; Wen, Lili; Peng, Tianyou","A novel BODIPY-based MOF photocatalyst for efficient visible-light-driven hydrogen evolution","Journal of Materials Chemistry A","2019","7","17","10439","","10.1039/C9TA02357G","","","0.71076","MoKα","","0.093","0.0506","","","0.1069","0.1212","","","","","","1.033","","","","has coordinates,has disorder","238479","2020-10-21","18:00:00",""
"7237677","22.753","0.003","15.3561","0.0019","24.772","0.003","90","","108.32","0.009","90","","8216.6","1.8","100.15","0","100.15","0","","","","","","","","5","I 1 2/a 1","-I 2ya","15","i-PCM-1","","","- C34 H33 N2 O10.25 P -","- C34.0003 H30.0007 N2.0001 O10.2501 P -","- C272.002 H240.006 N16.0008 O82.0008 P8 -","8","1","","Reynolds, Joseph E.; Bohnsack, Alisha M.; Kristek, David J.; Gutiérrez-Alejandre, Aída; Dunning, Samuel G.; Waggoner, Nolan W.; Sikma, R. Eric; Ibarra, Ilich A.; Humphrey, Simon M.","Phosphonium zwitterions for lighter and chemically-robust MOFs: highly reversible H2S capture and solvent-triggered release","Journal of Materials Chemistry A","2019","7","28","16842","","10.1039/C9TA05444H","","","0.71073","MoKα","","0.1963","0.1432","","","0.3522","0.3959","","","","","","1.027","","","","has coordinates","238503","2020-10-21","18:00:00",""
"7237769","19.425","0.004","17.305","0.003","22.923","0.01","90","","109.86","0.03","90","","7247","4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C44 H33 Cl2 Ir N3 O2 S2 -","- C43.989 H32.977 Cl1.984 Ir N3 O2 S2 -","- C351.912 H263.816 Cl15.872 Ir8 N24 O16 S16 -","8","1","","Kim, Hae Un; Jang, Ho Jin; Choi, Wanuk; Kim, Minjun; Park, Sungjin; Park, Taiho; Lee, Jun Yeob; K. S., Bejoymohandas","Ancillary ligand-assisted robust deep-red emission in iridium(iii) complexes for solution-processable phosphorescent OLEDs","Journal of Materials Chemistry C","2019","7","14","4143","","10.1039/C9TC00805E","","","0.62","synchrotron","","0.0481","0.0424","","","0.119","0.1221","","","","","","1.08","","","","has coordinates,has disorder","238594","2020-10-21","18:00:00",""
"7237897","18.3753","0.001","5.8406","0.0003","21.3396","0.0019","90","","92.947","0.002","90","","2287.2","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3,13-Dibromo-5-methoxy-8,8,18,18-tetramethylbacteriochlorin","","- C25 H26 Br2 N4 O -","- C25 H26 Br2 N4 O -","- C100 H104 Br8 N16 O4 -","4","0.5","","Ponsot, Flavien; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Mondal, Pritam; Devillers, Charles H.; Romieu, Anthony; Gros, Claude P.; Singhal, Rahul; Sharma, Ganesh D.","A bacteriochlorin-diketopyrrolopyrrole triad as a donor for solution-processed bulk heterojunction organic solar cells","Journal of Materials Chemistry C","2019","7","31","9655","","10.1039/C9TC02724F","","x-ray","0.71073","MoKα","","0.0423","0.0302","","","0.0682","0.0729","","","","","","1.015","","","","has coordinates,has disorder","238724","2020-10-21","18:00:00",""
"7239727","19.47","0.003","11.53","0.015","29.73","0.004","90","","107.15","0.009","90","","6377","8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C52 H46 Co3 N12 O16 S2 -","- C52 H46 Co3 N12 O16 S2 -","- C208 H184 Co12 N48 O64 S8 -","4","0.5","","Wang, Jun; Chen, Ning-Ning; Zhang, Chen; Jia, Li-Yong; Fan, Liming","Functional group induced structural diversities and photocatalytic, magnetic and luminescence sensing properties of four cobalt(ii) coordination polymers based on 1,3,5-tris(2-methylimidazol-1-yl)benzene","CrystEngComm","2020","22","4","811","820","10.1039/C9CE01474H","","","0.71073","MoKα","","0.0953","0.0803","","","0.1981","0.2053","","","","","","1.174","","","","has coordinates","257453","2020-10-21","18:00:00",""
"7240490","17.851","0.002","11.0413","0.0007","18.2806","0.0013","90","","104.189","0.002","90","","3493.2","0.5","253","2","253","","","","","","","","synthetic","5","I 1 2/a 1","-I 2ya","15","","Sodium scandium oxalate hexahydrate","","- C6 H10 Na3 O18 Sc -","- C6 H10 Na3 O18 Sc -","- C48 H80 Na24 O144 Sc8 -","8","1","","Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav","Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium","Green Chemistry","2020","22","13","4364","4375","10.1039/D0GC00454E","","x-ray","0.71073","MoKα","","0.0596","0.0373","","","0.0829","0.0915","","","","","","1.033","","","","has coordinates,has disorder","257604","2020-10-21","18:00:00",""
"7240698","12.4402","0.0004","12.933","0.0004","19.1393","0.0006","90","","99.889","0.003","90","","3033.55","0.17","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H20 N4 O3 -","- C14 H20 N4 O3 -","- C112 H160 N32 O24 -","8","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","1.54184","CuKα","","0.1479","0.1348","","","0.2896","0.2952","","","","","","1.126","","","","has coordinates,has disorder","258138","2020-10-21","18:00:00",""
"7240808","6.8488","0.0011","11.665","0.002","15.489","0.002","90","","95.319","0.014","90","","1232.1","0.3","123","","123","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 F8 O2 -","- C12 H8 F8 O2 -","- C48 H32 F32 O8 -","4","0.5","","Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio","Electrochemically driven, cobalt‒carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X","RSC Advances","2020","10","42","24862","24866","10.1039/D0RA05295G","","x-ray","0.71073","MoKα","","0.0912","0.0526","","","0.132","0.1383","","","","","","0.84","","","","has coordinates","258027","2020-10-21","18:00:00",""
"7240886","15.176","0.0013","10.4211","0.0006","15.5264","0.0012","90","","90","0.007","90","","2455.5","0.3","100","2","100.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cis-o,o'-azodioxytoluene","Z-1, 2-bis(2-methylphenyl)diazene 1,2-dioxide","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C112 H112 N16 O16 -","8","1","","Pike, Sarah J.; Heliot, Armelle; Seaton, Colin C.","ortho-Substituent effect on the crystal packing and solid state speciation of aromatic C-nitroso compounds","CrystEngComm","2020","","","","","10.1039/D0CE00728E","","","0.71073","MoKα","","0.126","0.0522","","","0.098","0.1121","","","","","","0.826","","","","has coordinates","254370","2020-10-21","18:00:00",""
"7240890","17.4137","0.0001","8.1451","0.0001","33.6364","0.0002","90","","90.413","0.001","90","","4770.74","0.07","173.01","0.1","173.01","0.1","","","","","","","synthesis","5","I 1 2/a 1","-I 2ya","15","19","5-(4-((1s,4s)-4-(tert-butyl)cyclohexyl)piperazine-1-carbonyl)pyridin-2(1H)-one","","- C22 H35.31 F3 N3 O5.65 -","- C22 H35.306 F3 N3 O5.653 -","- C176 H282.448 F24 N24 O45.224 -","8","1","","Cunha, Micael Rodrigues; Bhardwaj, Rajesh; Carrel, Aline Lucie; Lindinger, Sonja; Romanin, Christoph; Parise-Filho, Roberto; Hediger, Matthias A.; Reymond, Jean-Louis","Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00145G","","x-ray","1.54184","CuKα","","0.0391","0.0362","","","0.095","0.0974","","","","","","1.049","","","","has coordinates,has disorder","254380","2020-10-21","18:00:00",""
"7241005","17.2917","0.0005","9.421","0.0004","16.2331","0.0005","90","","93.499","0.003","90","","2639.53","0.16","120.01","0.1","120.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C22 H26 Br2 N4 O0.31 Se1.69 Zn -","- C22 H26 Br2 N4 O0.31 Se1.69 Zn -","- C88 H104 Br8 N16 O1.24 Se6.76 Zn4 -","4","0.5","","Maruthupandi, Mannarsamy; Prabusankar, Ganesan","Catalytically active coordination polymer with a tiny Zn2Se2 ring bridged by bis-selone","RSC Advances","2020","10","48","28950","28957","10.1039/D0RA04577B","","","0.71073","MoKα","","0.0411","0.0328","","","0.0629","0.0647","","","","","","1.145","","","","has coordinates,has disorder","258080","2020-10-21","18:00:00",""
"7241015","33.4655","0.0011","10.0373","0.0002","27.9753","0.0008","90","","107.496","0.003","90","","8962.3","0.5","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C34 H76 Co N2 O6 S2 Si2 -","- C34 H76 Co N2 O6 S2 Si2 -","- C272 H608 Co8 N16 O48 S16 Si16 -","8","1","","Kowalkowska-Zedler, Daria; Nedelko, Natalia; Kazimierczuk, Katarzyna; Aleshkevych, Pavlo; Łyszczek, Renata; Ślawska-Waniewska, Anna; Pladzyk, Agnieszka","Novel tetrahedral cobalt(ii) silanethiolates: structures and magnetism","RSC Advances","2020","10","49","29100","29108","10.1039/D0RA06036D","","x-ray","0.71073","MoKα","","0.0284","0.0258","","","0.0659","0.0685","","","","","","1.06","","","","has coordinates","258124","2020-10-21","18:00:00",""
"7241246","16.8469","0.0018","10.3757","0.0007","7.8131","0.0009","90","","101.473","0.009","90","","1338.4","0.2","120","","120","2","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","<i>catena</i>-[bis(<i>μ</i>~2~-thiophene-3-acetato-κ^3^O:O,O?)lead(II)]","","- C12 H10 O4 Pb S2 -","- C12 H10 O4 Pb S2 -","- C48 H40 O16 Pb4 S8 -","4","0.5","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Kupcewicz, Bogumila; Khavryuchenko , Oleksiy; Barszcz, Barbara","Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular, supramolecular structures and photoluminescence properties of Pb(II) polymers","CrystEngComm","2020","","","","","10.1039/D0CE01224F","","x-ray","0.71073","MoKα","","0.04","0.0397","","","0.1062","0.1065","","","","","","1.123","","","","has coordinates,has disorder","256445","2020-10-21","18:00:00",""
"7241341","14.597","0.004","12.063","0.003","21.211","0.007","90","","91.264","0.003","90","","3734","1.9","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H40 Br10 N4 Pb3 -","- C14 H40 Br10 N4 Pb3 -","- C56 H160 Br40 N16 Pb12 -","4","0.5","","Zhang, Wei-Feng; Zhao, Jian-Qiang; Sun, Xing-Yu; Ma, Yue-Yu; Pan, Hong-Mei; Jing, Zhihong; Lei, Xiao-Wu; Yao, Qingxia","Tetrameric Cluster Assembled One-Dimensional Hybrid Lead Halides with Broadband Light Emission","CrystEngComm","2020","","","","","10.1039/D0CE01202E","","","0.71073","MoKα","","0.0822","0.0518","","","0.1211","0.1349","","","","","","1.041","","","","has coordinates","256969","2020-10-21","18:00:00",""
"7241450","24.3727","0.0011","5.3458","0.0002","36.3946","0.0017","90","","106.501","0.005","90","","4546.6","0.4","159.99","0.1","159.99","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C200 H224 O64 -","8","1","","Wan, Xuxing; Wu, Songgu; Wang, Yan; Gong, Junbo","The formation mechanism of hollow spherulites and molecular conformation of curcumin and solvate","CrystEngComm","2020","","","","","10.1039/D0CE01230K","","x-ray","1.54184","CuKα","","0.0889","0.0554","","","0.1366","0.1571","","","","","","1.035","","","","has coordinates","259285","2020-11-29","02:25:00",""
"7241545","19.2485","0.0011","16.5225","0.0008","21.3838","0.0011","90","","114.655","0.004","90","","6180.8","0.6","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 Cu2 I2 N2 S2 -","- C28 H22 Cu2 I2 N2 S2 -","- C224 H176 Cu16 I16 N16 S16 -","8","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.06","0.0557","","","0.1558","0.159","","","","","","1.09","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241743","9.6448","0.0009","76.132","0.0012","9.7076","0.001","90","","90.2","","90","","7128","1","185","1","185.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H37 Cd Cl I4 S32 -","- C46 H37 Cd0.999 Cl I3.996 S32 -","- C184 H148 Cd3.996 Cl4 I15.984 S128 -","4","0.5","","Shilov, Gennadii V.; Zhilyaeva, Elena I.; Flakina, Alexandra M.; Aldoshin, Sergey M.; Konarev, Dmitri V.; Lyubovskii, Rustem B.; Lyubovskaya, Rimma N.","Phase transformations of iodine-containing dual-layered conductor θ-(ET)4CdI4(PhCl) upon cooling","CrystEngComm","2020","22","46","8054","8062","10.1039/D0CE01375G","","","0.7107","MoKα","","0.1493","0.1263","","","0.3201","0.3429","","","","","","1.119","","","","has coordinates,has disorder","259733","2020-12-10","03:37:08",""
"7241820","35.528","0.0003","12.9487","0.0001","33.1933","0.0003","90","","105.019","0.001","90","","14748.7","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C66 H81 Mg N2 O41.5 -","- C66 H58 Mg N2 O41.5 -","- C528 H464 Mg8 N16 O332 -","8","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.1045","0.0994","","","0.2833","0.289","","","","","","0.967","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7242029","16.6037","0.0003","10.0174","0.0002","32.0776","0.0005","90","","100.676","0.002","90","","5242.98","0.17","138","","138","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H40 N10 O21 S2 -","- C52 H40 N10 O21 S2 -","- C208 H160 N40 O84 S8 -","4","0.5","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.0535","0.0429","","","0.1136","0.1202","","","","","","1.109","","","","has coordinates","262556","2021-03-05","01:43:42",""
"7242074","18.9606","0.0002","14.2438","0.0002","25.8792","0.0003","90","","90.02","0.001","90","","6989.22","0.15","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H44 N4 O13.5 -","- C30 H44 N4 O13.5 -","- C240 H352 N32 O108 -","8","1","","Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane","A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06312F","","x-ray","1.54184","CuKα","","0.0492","0.0462","","","0.1234","0.127","","","","","","1.089","","","","has coordinates,has disorder","260947","2021-01-14","04:54:30",""
"7242237","16.4073","0.0009","10.3312","0.0004","21.7327","0.001","90","","91.113","0.005","90","","3683.2","0.3","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Di-tert-butyl 3,6-bis(4-((tert-butoxycarbonyl)oxy)phenyl)-1,4-dioxopyrrolo[3,4-c]pyrrole-2,5(1H,4H)-dicarboxylate","","- C38 H44 N2 O12 -","- C38 H44 N2 O12 -","- C152 H176 N8 O48 -","4","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.053","0.0452","","","0.1122","0.1184","","","","","","1.031","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242284","32.6007","0.0005","12.2199","0.0001","18.8003","0.0003","90","","101.704","0.001","90","","7333.89","0.18","200","2","200","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C30 H34 F6 N4 O2 P Re -","- C30 H34 F6 N4 O2 P Re -","- C240 H272 F48 N32 O16 P8 Re8 -","8","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0442","0.0422","","","0.1171","0.119","","","","","","1.065","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242301","11.5393","0.0016","8.6391","0.0006","8.8358","0.0009","90","","95.746","0.011","90","","876.41","0.16","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0931","0.0734","","","0.2243","0.2824","","","","","","1.171","","","","has coordinates","262184","2021-02-24","05:31:44",""
"7242310","17.71","0.001","10.746","0.0006","14.6712","0.0009","90","","106.321","0.006","90","","2679.6","0.3","114.6","0.4","114.6","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C96 H64 Mn8 N48 O40 -","8","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0423","0.0307","","","0.0734","0.0775","","","","","","1.063","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242425","25.323","0.013","17.655","0.009","26.894","0.014","90","","105.218","0.005","90","","11602","10","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C116 H160 Li8 O17 S8 -","- C112 H152 Li8 O16 S8 -","- C448 H608 Li32 O64 S32 -","4","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.2183","0.0982","","","0.2165","0.2721","","","","","","0.929","","","","has coordinates,has disorder","263110","2021-03-18","05:32:49",""
"7242564","19.462","0.002","5.2101","0.0004","26.144","0.003","90","","105.318","0.011","90","","2556.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","TBMP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C29 H24 N4 -","- C29 H24 N4 -","- C116 H96 N16 -","4","0.5","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","0.71073","MoKα","","0.0835","0.0625","","","0.1699","0.1843","","","","","","1.036","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242639","15.0319","0.0003","11.2984","0.0002","16.0579","0.0003","90","","107.022","0.002","90","","2607.74","0.09","173.15","","173.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H20 Cl6 N4 Ni O2 -","- C22 H20 Cl6 N4 Ni O2 -","- C88 H80 Cl24 N16 Ni4 O8 -","4","0.5","","Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin","Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate","Green Chemistry","2021","23","9","3365","3373","10.1039/D1GC00388G","","","0.71073","MoKα","","0.0462","0.043","","","0.1041","0.1064","","","","","","1.065","","","","has coordinates,has disorder","266116","2021-06-05","19:12:16",""
"7242640","12.7952","0.0001","18.3813","0.0001","18.9751","0.0001","90","","109.067","0.001","90","","4217.96","0.05","173.01","0.1","173.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H64 N6 Ni O2 -","- C42 H64 N6 Ni O2 -","- C168 H256 N24 Ni4 O8 -","4","0.5","","Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin","Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate","Green Chemistry","2021","23","9","3365","3373","10.1039/D1GC00388G","","x-ray","1.54184","CuKα","","0.0405","0.0398","","","0.1104","0.111","","","","","","1.041","","","","has coordinates,has disorder","266116","2021-06-05","19:12:17",""
"7242870","17.5316","0.0005","9.5135","0.0002","24.202","0.0009","90","","91.872","0.002","90","","4034.4","0.2","90","0.5","90","0.5","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C17 H22 Cl2 N4 O2 Pt S -","- C17 H22 Cl2 N4 O2 Pt S -","- C136 H176 Cl16 N32 O16 Pt8 S8 -","8","1","","Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini","Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents","RSC Advances","2021","11","29","17658","17668","10.1039/D1RA00842K","","","0.71073","MoKα","","0.0704","0.0397","","","0.0688","0.0767","","","","","","0.979","","","","has coordinates","265239","2021-05-15","04:00:56",""
"7242901","20.5086","0.0008","17.1615","0.0007","17.3902","0.0008","90","","93.08","0.004","90","","6111.8","0.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H54 Na4 O48.95 Ru2 W8 -","- C12 H12 Na4 O48.95 Ru2 W8 -","- C48 H48 Na16 O195.8 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0499","0.0372","","","0.091","0.0966","","","","","","1.061","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242937","18.4256","0.0004","11.2921","0.0003","16.4939","0.0004","90","","99.223","0.002","90","","3387.42","0.14","150","0.1","150","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","2-cyano-2-((4-(dimethylamino)-9,9-dimethyl-9H-fluoren-5-yl) propenenitrile","","- C21 H19 N3 -","- C21 H19 N3 -","- C168 H152 N24 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0605","0.0478","","","0.1108","0.1188","","","","","","1.042","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242941","19.4622","0.0012","9.934","0.0008","29.6756","0.0015","90","","93.325","0.005","90","","5727.7","0.6","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,6-dioxocyclohexan-1-ide","","- C32 H28 Cl3 N O2 -","- C32 H28 Cl3 N O2 -","- C256 H224 Cl24 N8 O16 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1795","0.0805","","","0.1354","0.1734","","","","","","1.018","","","","has coordinates,has disorder","267127","2021-07-05","17:11:49",""
"7243175","9.3725","0.0004","7.3714","0.0004","21.2849","0.0007","90","","90.496","0.003","90","","1470.49","0.11","295","2","295","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","diaquabis(N-propylglycinato)copper(ii)","","- C10 H24 Cu N2 O6 -","- C10 H24 Cu N2 O6 -","- C40 H96 Cu4 N8 O24 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0538","0.0379","","","0.0755","0.0809","","","","","","1.074","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243365","23.5031","0.0007","14.9393","0.0004","33.0899","0.001","90","","106.97","0.003","90","","11112.6","0.6","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ZnSALAMPY","","- C60 H56 N8 O12 Zn4 -","- C60 H56 N8 O12 Zn4 -","- C480 H448 N64 O96 Zn32 -","8","1","","Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya","From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02540F","","x-ray","0.71073","MoKα","","0.0901","0.0548","","","0.1375","0.1697","","","","","","1.029","","","","has coordinates","268045","2021-08-12","01:06:10",""
"7243895","19.8661","0.0003","9.09317","0.00015","25.7813","0.0004","90","","109.671","0.0018","90","","4385.48","0.13","150","0.2","150","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C25 H25 N O4 S -","- C25 H25 N O4 S -","- C200 H200 N8 O32 S8 -","8","1","","Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei","Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions","Green Chemistry","2021","23","23","9571","9576","10.1039/D1GC03048E","","x-ray","1.54184","CuKα","","0.0481","0.0446","","","0.1253","0.1279","","","","","","1.063","","","","has coordinates","271851","2022-01-06","21:31:04",""
"7244050","20.0555","0.0005","17.4269","0.0003","29.5696","0.0014","90","","108.009","0.004","90","","9828.4","0.6","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50.5 H41 Cl F6 Ir N10 P -","- C50 H40 F6 Ir N10 P -","- C400 H320 F48 Ir8 N80 P8 -","8","1","","Otaif, Haleema Y.; Adams, Samuel J.; Horton, Peter N.; Coles, Simon J.; Beames, Joseph M.; Pope, Simon J. A.","Bis-cyclometalated iridium(iii) complexes with terpyridine analogues: syntheses, structures, spectroscopy and computational studies","RSC Advances","2021","11","63","39718","39727","10.1039/D1RA07213G","","x-ray","1.54178","CuKα","","0.0729","0.0493","","","0.1284","0.1436","","","","","","1.033","","","","has coordinates","271376","2021-12-14","02:08:12",""
"7244143","13.7701","0.0004","11.51","0.0003","29.1745","0.0007","90","","90.088","0.002","90","","4624","0.2","150","0.3","150","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 Cd2 N2 O15 -","- C20 H20 Cd2 N2 O15 -","- C160 H160 Cd16 N16 O120 -","8","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0373","0.0321","","","0.0638","0.0659","","","","","","1.074","","","","has coordinates","272620","2022-02-04","19:22:03",""
"7244209","12.6817","0.001","25.67","0.003","12.8729","0.001","90","","106.102","0.007","90","","4026.2","0.7","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C10 H25 F12 N5 P2 Zn -","- C10 H25 F11.996 N5 P2 Zn -","- C80 H200 F95.968 N40 P16 Zn8 -","8","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0788","0.0628","","","0.1758","0.1896","","","","","","1.067","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53",""
"7244263","24.6439","0.0003","10.20305","0.00013","31.8756","0.0004","90","","98.5114","0.0011","90","","7926.62","0.17","99.97","0.1","99.97","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H40 Cl Cu N4 O4 P2 -","- C45 H40 Cl Cu N4 O4 P2 -","- C360 H320 Cl8 Cu8 N32 O32 P16 -","8","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","x-ray","1.54184","CuKα","","0.0407","0.0389","","","0.0947","0.0958","","","","","","1.024","","","","has coordinates","272169","2022-01-20","23:39:19",""
"7244264","24.62","0.0002","10.2078","0.00009","31.7453","0.0003","90","","98.052","0.0009","90","","7899.45","0.12","99.99","0.1","99.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H40 B Cu F4 N4 P2 -","- C45 H40 B Cu F4 N4 P2 -","- C360 H320 B8 Cu8 F32 N32 P16 -","8","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Hu, Fu-Zhen; Wang, Guo; Yang, Yu-Ping; Qiu, Qi-Ming; Li, Zhong-Feng; Xin, Xiu-Lan; Liu, Jian-Ming; Li, Xiao-Qi; Jin, Qiong-Hua; Ren, Zhi-Gang; Zhou, Qing-Li","Designing luminescent diimine-Cu(i)–phosphine complexes by tuning N-ligand and counteranions: correlation of weak interactions, luminescence and THz absorption spectra","CrystEngComm","2022","","","","","10.1039/D1CE01574E","","x-ray","1.54184","CuKα","","0.044","0.0432","","","0.1082","0.1088","","","","","","1.058","","","","has coordinates","272169","2022-01-20","23:39:20",""
"7244296","17.2749","0.0009","3.9072","0.0002","35.441","0.002","90","","98.9201","0.0016","90","","2363.2","0.2","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","3,5-dibromo-resorcylic acid acetic acid solvate","","- C9 H8 Br2 O6 -","- C9 H8 Br2 O6 -","- C72 H64 Br16 O48 -","8","1","","Edkins, Katharina; Tweedy, Jane; Fung, Stephanie; Edkins, Robert M.","Steric influence on solvate formation – a comparison of resorcylic acid and two brominated derivatives","CrystEngComm","2022","","","","","10.1039/D1CE01592C","","x-ray","0.71073","MoKα","","0.0642","0.0465","","","0.1078","0.1167","","","","","","1.087","","","","has coordinates","272229","2022-01-25","23:38:07",""
"7244424","21.1362","0.0006","11.2833","0.0002","38.192","0.002","90","","104.463","0.004","90","","8819.6","0.6","297","2","297","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C336 H312 Cl16 Cu8 N32 O68 S16 -","- C336 H312 Cl16 Cu8 N32 O68 S16 -","- C336 H312 Cl16 Cu8 N32 O68 S16 -","1","0.125","","Jana, Narayan Ch.; Sethi, Subrat; Saha, Ratnakar; Bagh, Bidraha","Aerobic oxidation of vanillyl alcohol to vanillin catalyzed by air-stable and recyclable copper complex and TEMPO under base-free conditions","Green Chemistry","2022","24","6","2542","2556","10.1039/D1GC04690J","","x-ray","1.54184","CuKα","","0.1247","0.1106","","","0.2839","0.2952","","","","","","1.063","","","","has coordinates","274993","2022-05-05","20:38:18",""
"7244452","8.1299","0.0009","16.3935","0.0015","16.5034","0.0013","90","","95.897","0.009","90","","2187.9","0.4","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","2MeS-3EDOT","5,5''-dimethylthio-2,2':5',2''-ter(3,4-ethylenedioxythiophene)","","- C20 H18 O6 S5 -","- C20 H18 O6 S5 -","- C80 H72 O24 S20 -","4","0.5","","Kameyama, Ryohei; Fujino, Tomoko; Dekura, Shun; Mori, Hatsumi","Conjugation Length Effect on the Conducting Behavior of Single-crystalline Oligo(3,4-ethylenedioxythiophene) (nEDOT) Radical Cation Salts","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00250G","","x-ray","0.71073","MoKα","","0.1103","0.0887","","","0.246","0.2723","","","","","","1.124","","","","has coordinates,has disorder","273039","2022-02-19","01:50:23",""
"7244995","12.15","0.0002","13.1041","0.0002","13.7735","0.0002","90","","112.503","0.002","90","","2025.97","0.06","292.1","0.8","292.1","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H5.5 Cl N2.5 -","- C12 H5.5 Cl N2.5 -","- C96 H44 Cl8 N20 -","8","1","","Shi, Pan; Liu, Xiao-Xu; Dai, Xia-Lin; Lu, Tongbu; Chen, Jia-Mei","Near-infrared photothermal conversion property of carbazole-based cocrystals with different degree of charge transfer","CrystEngComm","2022","","","","","10.1039/D2CE00523A","","x-ray","1.54184","CuKα","","0.0428","0.0418","","","0.1194","0.1208","","","","","","1.065","","","","has coordinates","275673","2022-05-27","22:32:10",""
"7244996","12.3323","0.0004","13.1469","0.0003","13.9845","0.0005","90","","113.945","0.004","90","","2072.19","0.13","293.74","0.1","293.74","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H5.5 Br N2.5 -","- C12 H5.5 Br0.9999 N2.5 -","- C96 H44 Br7.9992 N20 -","8","1","","Shi, Pan; Liu, Xiao-Xu; Dai, Xia-Lin; Lu, Tongbu; Chen, Jia-Mei","Near-infrared photothermal conversion property of carbazole-based cocrystals with different degree of charge transfer","CrystEngComm","2022","","","","","10.1039/D2CE00523A","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.0951","0.0963","","","","","","1.135","","","","has coordinates,has disorder","275673","2022-05-27","22:32:10",""
"7245269","17.3111","0.0006","17.9541","0.001","30.2138","0.0014","90","","96.76","0.004","90","","9325.3","0.8","95","2","95","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H33 Cl4 Er3 O25.47 -","- C24 H33 Cl4 Er3 O25.47 -","- C192 H264 Cl32 Er24 O203.76 -","8","1","","Gebrezgiabher, Mamo; Schlittenhardt, Sören; Rajnák, Cyril; Kuchár, Juraj; Sergawie, Assefa; Černák, Juraj; Ruben, Mario; Thomas, Madhu; Boča, Roman","Triangulo-{ErIII3} complex showing field supported slow magnetic relaxation","RSC Advances","2022","12","33","21674","21680","10.1039/D2RA04328A","","","0.71073","MoKα","","0.0388","0.0302","","","0.068","0.0713","","","","","","1.076","","","","has coordinates,has disorder","277077","2022-08-05","01:05:44",""
"7245682","24.535","0.0004","4.12409","0.00007","38.7414","0.0006","90","","107.189","0.0017","90","","3744.95","0.11","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H10 F4 I2 N4 -","- C18 H10 F4 I2 N4 -","- C144 H80 F32 I16 N32 -","8","1","","Yeo, Chien Ing; Tan, Yee Seng; Kwong, Huey Chong; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.","I⋯N halogen bonding in 1 : 1 co-crystals formed between 1,4-diiodotetrafluorobenzene and the isomeric n-pyridinealdazines (n = 2, 3 and 4): assessment of supramolecular association and influence upon solid-state photoluminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE01165D","","","1.54184","CuKα","","0.0332","0.0329","","","0.0896","0.0901","","","","","","1.131","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7245740","19.4896","0.0006","9.8579","0.0003","23.1307","0.0007","90","","90.091","0.003","90","","4444","0.2","233","2","233","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H56 Eu K N12 O24 -","- C28 H56 Eu K N12 O24 -","- C112 H224 Eu4 K4 N48 O96 -","4","0.5","","Li, Duo-Fu; Guo, Feng; He, Xiao-Li; Wu, Yao-Zhen; Deng, Xiang-Hong; Yang, Kang-Ping; Sui, Yan; Li, Yongxiu","A Layered Hybrid Rare-Earth Double Perovskite with Two Continuous Reversible Phase Transitions Induced By Unusual Two Driving Gears of Fan-Like Rotation Movements","CrystEngComm","2022","","","","","10.1039/D2CE01297A","","","0.71073","MoKα","","0.035","0.0293","","","0.0717","0.0743","","","","","","1.106","","","","has coordinates","278884","2022-11-01","08:47:32",""
"7245916","16.112","0.006","7.649","0.003","29.1","0.013","90","","101.562","0.005","90","","3514","2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 N3 O5 Zn -","- C13 H9 N2 O4 Zn -","- C104 H72 N16 O32 Zn8 -","8","1","","Gong, Yi; Chen, Fei; Beamish-Cook, Jethro; Elsegood, Mark R. J.; Derbyshire, Max; Rowe, Oliver; Redshaw, Carl","Pillared MOFs: structure and ring opening polymerization of cyclic esters","CrystEngComm","2023","25","2","267","283","10.1039/D2CE01317G","","","0.71073","MoKα","","0.0499","0.042","","","0.1039","0.1077","","","","","","1.094","","","","has coordinates,has disorder","281437","2023-03-04","18:16:06",""
"7246056","17.9022","0.0003","6.0537","0.0001","34.1626","0.0006","90","","91.27","0.002","90","","3701.45","0.11","220","","220","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C21 H14 I N S2 -","- C21 H14 I N S2 -","- C168 H112 I8 N8 S16 -","8","1","","Satyanarayana, Appanapalli N. V.; Mukherjee, Nilanjana; Chatterjee, Tanmay","100% atom-economical and highly regio- and stereoselective iodosulfenylation of alkynes: a reagentless and sustainable approach to access (E)-β-iodoalkenyl sulfides and (Z)-tamoxifen","Green Chemistry","2023","25","2","779","788","10.1039/D2GC04101D","","x-ray","1.54184","CuKα","","0.0451","0.0449","","","0.1001","0.1002","","","","","","1.182","","","","has coordinates,has disorder","281475","2023-03-04","18:24:37",""
"7246230","19.6089","0.0003","13.7807","0.0002","17.823","0.0003","90","","101.936","0.002","90","","4712.08","0.13","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H26 N4 O5 S -","- C24 H26 N4 O5 S -","- C192 H208 N32 O40 S8 -","8","1","","Li, Xin; Zarganes-Tzitzikas, Tryfon; Kurpiewska, Katarzyna; Dömling, Alexander","Amenamevir by Ugi-4CR","Green Chemistry","2023","25","4","1322","1325","10.1039/D2GC04869H","","x-ray","1.54184","CuKα","","0.0629","0.0585","","","0.1579","0.1615","","","","","","1.085","","","","has coordinates","281474","2023-03-04","18:24:30",""
"7246259","26.6374","0.0006","9.7433","0.0002","29.7932","0.0007","90","","90.922","0.002","90","","7731.4","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H48 Cd3 N10 O12 -","- C90 H64 Cd3 N10 O12 -","- C360 H256 Cd12 N40 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0545","0.0363","","","0.0771","0.0887","","","","","","1.054","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246260","27.0745","0.0005","9.7503","0.0002","29.6517","0.0005","90","","91.899","0.002","90","","7823.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H68 Cd3 N6 O12 -","- C94 H68 Cd3 N6 O12 -","- C376 H272 Cd12 N24 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0514","0.0354","","","0.0658","0.0739","","","","","","1.049","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246366","22.263","0.002","9.8738","0.0009","35.777","0.004","90","","93.222","0.006","90","","7852.1","1.3","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C102 H89 N3 O4 -","- C102 H89 N3 O4 -","- C408 H356 N12 O16 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0839","0.0507","","","0.1291","0.1514","","","","","","1.034","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246585","21.0625","0.0004","11.03858","0.00013","34.7488","0.0004","90","","98.5112","0.0013","90","","7990.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C85 H79 Eu2 N9 O20 -","- C85 H79 Eu2 N9 O20 -","- C340 H316 Eu8 N36 O80 -","4","0.5","","Zhao, Li-Juan; Li, Bin; Yong, Guo-Ping","Four isostructural lanthanide metal–organic frameworks: luminescence properties and fluorescence sensing for Fe3+ and Cr2O72− ions","CrystEngComm","2023","25","18","2813","2823","10.1039/D3CE00142C","","","1.54184","CuKα","","0.0537","0.042","","","0.101","0.1096","","","","","","1.039","","","","has coordinates","284264","2023-06-05","04:24:39",""
"7246860","27.2148","0.0009","13.102","0.0004","28.9686","0.0011","90","","114.483","0.004","90","","9400.5","0.6","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C86 H132 F6 N16 O10 S -","- C86 H132 F6 N16 O10 S -","- C344 H528 F24 N64 O40 S4 -","4","0.5","","Gogoi, Anamika; Dutta, Dipjyoti; Gil-Hernández, Beatriz; Dey, Sandeep Kumar","Anion-exchange facilitated selective extraction of sulfate and phosphate by overcoming the Hofmeister bias","RSC Advances","2023","13","24","16185","16195","10.1039/D3RA01771K","","","1.54184","CuKα","","0.0941","0.0778","","","0.2522","0.2821","","","","","","1.021","","","","has coordinates,has disorder","284117","2023-06-01","01:07:52",""
"7246971","13.9423","0.0001","12.2959","0.0001","23.7796","0.0002","90","","105.945","0.001","90","","3919.77","0.06","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C17 H19 B F4 Mo O2 S2 -","- C17 H19 B F4 Mo O2 S2 -","- C136 H152 B8 F32 Mo8 O16 S16 -","8","1","","Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan","Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function","RSC Advances","2023","13","29","19746","19756","10.1039/D3RA03383J","","x-ray","1.54184","CuKα","","0.0196","0.0195","","","0.0519","0.0519","","","","","","1.076","","","","has coordinates","284738","2023-07-01","01:08:10",""
"7247230","6.1745","0.0003","6.8716","0.0003","28.3078","0.0012","90","","96.189","0.004","90","","1194.06","0.09","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","0.5","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0453","0.041","","","0.0947","0.0958","","","","","","1.381","","","","has coordinates,has disorder","286735","2023-10-06","00:05:06",""
"7247354","18.5654","0.0004","11.0141","0.0002","23.246","0.0005","90","","104.797","0.002","90","","4595.73","0.17","113","2","113","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C58 H52 N4 O4 -","- C58 H52 N4 O4 -","- C232 H208 N16 O16 -","4","0.5","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0498","0.0453","","","0.1069","0.1097","","","","","","1.046","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247456","20.3665","0.001","4.5514","0.0002","21.1136","0.0009","90","","101.761","0.005","90","","1916.06","0.15","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10.5 H9 Mn0.5 N2 O3 -","- C10.5 H9 Mn0.5 N2 O3 -","- C84 H72 Mn4 N16 O24 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0799","0.0516","","","0.1153","0.1294","","","","","","1.046","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247482","16.4758","0.0008","14.6068","0.0009","19.2419","0.001","90","","114.749","0.004","90","","4205.4","0.4","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H44 Cl6 N8 O6 -","- C38 H44 Cl6 N8 O6 -","- C152 H176 Cl24 N32 O24 -","4","0.5","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0675","0.0593","","","0.1649","0.172","","","","","","1.101","","","","has coordinates","287333","2023-11-06","07:21:53",""
"7247524","8.5408","0.0008","23.905","0.002","10.7593","0.0008","90","","91.014","0.007","90","","2196.4","0.3","223","","223","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C5 H8 F3 Li O5 S2 -","- C5 H8 F3 Li O4.9993 S2 -","- C40 H64 F24 Li8 O39.9944 S16 -","8","1","","Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru","High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application.","Physical chemistry chemical physics : PCCP","2023","25","43","29566","29575","10.1039/d3cp04561g","","x-ray","0.71073","MoKα","","0.067","0.0568","","","0.1538","0.1631","","","","","","1.015","","","","has coordinates,has disorder","288904","2024-01-06","09:52:58",""
"7247715","16.9432","0.001","6.7811","0.0003","34.455","0.002","90","","98.406","0.005","90","","3916.1","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H15 Cl3 N2 O5 S2 -","- C16 H15 Cl3 N2 O5 S2 -","- C128 H120 Cl24 N16 O40 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1484","0.1013","","","0.2524","0.3134","","","","","","1.038","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247723","17.2992","0.0013","6.8054","0.0005","34.882","0.003","90","","99.792","0.008","90","","4046.8","0.6","298","2","298","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Cl3 N2 O5 P S -","- C16 H14 Cl3 N2 O5 P S -","- C128 H112 Cl24 N16 O40 P8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1453","0.0748","","","0.2161","0.2693","","","","","","1.096","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247889","9.6542","0.0007","15.3891","0.0012","16.7669","0.0016","90","","97.803","0.003","90","","2468","0.4","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 Cl2 Cu N8 O10 -","- C18 H22 Cl2 Cu N8 O10 -","- C72 H88 Cl8 Cu4 N32 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0746","0.0691","","","0.1728","0.1771","","","","","","1.037","","","","has coordinates,has disorder","289442","2024-02-04","11:37:43",""
"7247986","13.7163","0.0005","11.38","0.0003","18.1174","0.0005","90","","104.795","0.003","90","","2734.21","0.15","103.15","","103.15","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Coerulein B","","- C20 H10 O4 -","- C20 H10 O4 -","- C160 H80 O32 -","8","1","","Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro","Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst.","Physical chemistry chemical physics : PCCP","2024","26","5","4474","4479","10.1039/d3cp05585j","","x-ray","1.54184","CuKα","","0.0523","0.0495","","","0.1313","0.1332","","","","","","1.091","","","","has coordinates","289639","2024-02-04","12:31:11",""
"7248101","9.4933","0.0003","9.0418","0.0003","21.8135","0.0009","90","","101.356","0.004","90","","1835.74","0.12","170","0.1","170","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C80 H80 N16 O8 -","8","1","","Chen, Yichun; Lu, Ziqi; He, Wenfen; Zhu, Huanyi; Lu, Weilong; Shi, Junjun; Sheng, Jie; Xie, Wucheng","Rhodium-catalyzed annulation of hydrazines with vinylene carbonate to synthesize unsubstituted 1-aminoindole derivatives","RSC Advances","2024","14","7","4804","4809","10.1039/D3RA07466H","","x-ray","1.54184","CuKα","","0.0542","0.049","","","0.1323","0.1388","","","","","","1.035","","","","has coordinates","289733","2024-02-07","02:24:29",""
"7248134","7.8039","0.0004","11.1545","0.0007","33.709","0.002","90","","90.944","0.002","90","","2933.9","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H9 N7 Pb S3 -","- C9 H9 N7 Pb S3 -","- C72 H72 N56 Pb8 S24 -","8","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.0235","0.018","","","0.0337","0.0351","","","","","","1.035","","","","has coordinates,has disorder","290896","2024-04-04","23:09:02",""
"7248273","23.236","0.001","15.6145","0.0008","24.0913","0.001","90","","115.807","0.003","90","","7869","0.7","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","trans- α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","","- C48 H34 Cl6 O2 -","- C48 H34 Cl6 O2 -","- C384 H272 Cl48 O16 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0616","0.045","","","0.1082","0.1205","","","","","","1.048","","","","has coordinates","290884","2024-04-04","23:06:20",""
"7248447","11.925","0.0015","8.2439","0.0011","17.812","0.003","90","","101.364","0.004","90","","1716.7","0.4","100","2","100","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0937","0.0886","","","0.1674","0.1698","","","","","","1.205","","","","has coordinates","291276","2024-04-18","22:47:22",""
"7248448","11.9439","0.0013","8.2503","0.0009","17.847","0.002","90","","101.343","0.003","90","","1724.3","0.3","120","2","120","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in moclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0784","0.0739","","","0.1461","0.1488","","","","","","1.185","","","","has coordinates","291276","2024-04-18","22:47:22",""
"7248451","11.9467","0.0012","8.2518","0.0009","17.853","0.002","90","","101.341","0.003","90","","1725.6","0.3","120","2","120","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0782","0.0738","","","0.1425","0.1448","","","","","","1.19","","","","has coordinates","291276","2024-04-18","22:47:23",""
"7248462","11.9735","0.0007","8.2678","0.0005","17.9172","0.0012","90","","101.36","0.0017","90","","1738.95","0.19","140","2","140","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0549","0.0494","","","0.115","0.1198","","","","","","1.065","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248464","11.9376","0.0014","8.2488","0.001","17.833","0.002","90","","101.352","0.003","90","","1721.7","0.3","110","2","110","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.085","0.0806","","","0.1539","0.1561","","","","","","1.194","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248465","11.9334","0.0014","8.2466","0.001","17.828","0.002","90","","101.35","0.003","90","","1720.1","0.3","110","2","110","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0856","0.0816","","","0.159","0.1609","","","","","","1.198","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248466","11.9609","0.001","8.2593","0.0007","17.8832","0.0017","90","","101.342","0.002","90","","1732.2","0.3","132","2","132","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0675","0.0627","","","0.1283","0.1317","","","","","","1.17","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248467","11.9706","0.0008","8.2662","0.0006","17.9123","0.0013","90","","101.359","0.0018","90","","1737.7","0.2","140","2","140","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0561","0.0511","","","0.1157","0.1199","","","","","","1.089","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248470","11.9553","0.0011","8.2563","0.0008","17.8738","0.0018","90","","101.343","0.003","90","","1729.8","0.3","130","2","130","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0688","0.0643","","","0.1311","0.1339","","","","","","1.168","","","","has coordinates","291276","2024-04-18","22:47:24",""
"7248471","11.9833","0.0005","8.277","0.0003","17.9669","0.0008","90","","101.402","0.001","90","","1746.89","0.12","150","2","150","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0459","0.0399","","","0.1014","0.1074","","","","","","1.056","","","","has coordinates,has disorder","291276","2024-04-18","22:47:24",""
"7248472","11.984","0.0005","8.2774","0.0003","17.9659","0.0008","90","","101.4","0.001","90","","1746.99","0.12","150","2","150","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0462","0.041","","","0.0959","0.1004","","","","","","1.037","","","","has coordinates,has disorder","291276","2024-04-18","22:47:24",""
"7248474","11.9843","0.0004","8.2804","0.0003","18.0191","0.0006","90","","101.469","0.001","90","","1752.42","0.1","160","2","160","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0469","0.0412","","","0.0992","0.1052","","","","","","1.043","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248476","11.9832","0.0004","8.2803","0.0003","18.0209","0.0006","90","","101.473","0.001","90","","1752.39","0.1","160","2","160","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0461","0.0398","","","0.0993","0.1061","","","","","","1.045","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248479","11.9781","0.0004","8.2808","0.0003","18.0841","0.0007","90","","101.568","0.001","90","","1757.29","0.11","170","2","170","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0484","0.0409","","","0.1037","0.1111","","","","","","1.048","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248483","11.9739","0.0004","8.2807","0.0003","18.1504","0.0007","90","","101.666","0.001","90","","1762.48","0.11","180","2","180","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0504","0.0419","","","0.1046","0.1135","","","","","","1.051","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248484","11.9791","0.0004","8.2813","0.0003","18.0809","0.0007","90","","101.564","0.001","90","","1757.26","0.11","170","2","170","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0477","0.0412","","","0.1007","0.1083","","","","","","1.044","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248487","11.9678","0.0005","8.2815","0.0004","18.3482","0.0009","90","","101.921","0.0012","90","","1779.3","0.14","210","2","210","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0583","0.046","","","0.1144","0.1281","","","","","","1.079","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248488","11.9719","0.0005","8.2815","0.0003","18.2151","0.0008","90","","101.755","0.0011","90","","1768.06","0.13","190","2","190","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0519","0.0433","","","0.1051","0.1134","","","","","","1.051","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248490","11.9744","0.0004","8.2815","0.0003","18.1491","0.0007","90","","101.664","0.001","90","","1762.61","0.11","180","2","180","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0507","0.0429","","","0.1061","0.1144","","","","","","1.056","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248491","11.9701","0.0005","8.2817","0.0004","18.2789","0.0009","90","","101.838","0.0012","90","","1773.5","0.14","200","2","200","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0557","0.0457","","","0.11","0.1195","","","","","","1.087","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7248493","11.9659","0.0005","8.2828","0.0004","18.427","0.0009","90","","102.019","0.0012","90","","1786.28","0.14","220","2","220","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","","","","","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0628","0.0477","","","0.1119","0.1258","","","","","","1.024","","","","has coordinates,has disorder","291276","2024-04-18","22:47:25",""
"7700128","13.7678","0.0008","10.2888","0.0006","30.2124","0.0018","90","","97.959","0.006","90","","4238.5","0.4","150","0.3","150","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","Rh(cod)Cl(26-F2-IPh)","rhodium(cycloocatdienyl)(1,3-bis(2,6-difluorophenyl)imidazol-2-ylidene)chloride","","- C23 H20 Cl F4 N2 Rh -","- C23 H20 Cl F4 N2 Rh -","- C184 H160 Cl8 F32 N16 Rh8 -","8","1","","Jamil, Mohamad Shazwan Shah; Alkaabi, Sultan; Brisdon, Alan K.","Simple NMR predictors of catalytic hydrogenation activity for [Rh(cod)Cl(NHC)] complexes featuring fluorinated NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9317","9327","10.1039/c9dt01219b","","x-ray","0.71073","MoKα","","0.0941","0.057","","","0.0824","0.1032","","","","","","1.054","","","","has coordinates","224202","2020-10-21","18:00:00",""
"7700323","21.829","0.006","11.353","0.003","37.793","0.01","90","","101.698","0.015","90","","9172","4","273","2","273.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H33 F6 N4 O6 P Ru -","- C45 H33 F6 N4 O6 P Ru -","- C360 H264 F48 N32 O48 P8 Ru8 -","8","1","","Srivastava, Payal; Shukla, Manjulika; Kaul, Grace; Chopra, Sidharth; Patra, Ashis K.","Rationally designed curcumin based ruthenium(ii) antimicrobials effective against drug-resistant Staphylococcus aureus.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11822","11828","10.1039/c9dt01650c","","","0.71073","MoKα","","0.175","0.1248","","","0.3225","0.3656","","","","","","1.036","","","","has coordinates,has disorder","224356","2020-10-21","18:00:00",""
"7700738","13.4958","0.0006","12.6508","0.0006","25.5678","0.001","90","","101.202","0.005","90","","4282.1","0.3","295","2","295","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H16 Cl2 Cu N6 O -","- C22 H16 Cl2 Cu N6 O -","- C176 H128 Cl16 Cu8 N48 O8 -","8","1","","Choroba, Katarzyna; Machura, Barbara; Kula, Slawomir; Raposo, Luis R.; Fernandes, Alexandra R.; Kruszynski, Rafal; Erfurt, Karol; Shul'pina, Lidia S.; Kozlov, Yuriy N.; Shul'pin, Georgiy B.","Copper(ii) complexes with 2,2':6',2''-terpyridine, 2,6-di(thiazol-2-yl)pyridine and 2,6-di(pyrazin-2-yl)pyridine substituted with quinolines. Synthesis, structure, antiproliferative activity, and catalytic activity in the oxidation of alkanes and alcohols with peroxides.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12656","12673","10.1039/c9dt01922g","","","0.71073","MoKα","","0.0485","0.0357","","","0.0876","0.0926","","","","","","1.077","","","","has coordinates,has disorder","223985","2020-10-21","18:00:00",""
"7700785","15.7866","0.0008","9.641","0.0004","22.4406","0.0011","90","","108.694","0.006","90","","3235.2","0.3","150","1","150","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H16 B2 F18 N2 -","- C36 H16 B2 F18 N2 -","- C144 H64 B8 F72 N8 -","4","0.5","","Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.","Reactions of hydrazones and hydrazides with Lewis acidic boranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12391","12395","10.1039/c9dt01359h","","","0.71073","MoKα","","0.0467","0.0373","","","0.0874","0.0948","","","","","","1.024","","","","has coordinates","223987","2020-10-21","18:00:00",""
"7700801","34.7389","0.0009","16.5853","0.0004","44.6977","0.0013","90","","111.333","0.003","90","","23988.3","1.2","239.98","0.1","239.98","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H145.3 Cr8 F8 O32 S0.67 -","- C80 H145.3 Cr8 F8 O32 S0.658 -","- C640 H1162.4 Cr64 F64 O256 S5.264 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.0717","0.0516","","","0.1281","0.1384","","","","","","1.012","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700802","34.8985","0.0011","16.5023","0.0004","44.0954","0.0016","90","","111.428","0.004","90","","23639.4","1.4","149.8","0.5","149.8","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.73 S0.87 -","- C80 H144 Cr8 F8 O33.734 S0.867 -","- C640 H1152 Cr64 F64 O269.872 S6.936 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.1036","0.0596","","","0.1242","0.1478","","","","","","1.036","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700803","34.7518","0.0009","16.496","0.0003","44.0635","0.0011","90","","111.433","0.003","90","","23513.2","1.1","249.9","0.5","249.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.66 S0.83 -","- C80 H144 Cr8 F8 O33.66 S0.83 -","- C640 H1152 Cr64 F64 O269.28 S6.64 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0743","0.047","","","0.1201","0.1322","","","","","","1.058","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700804","34.8538","0.0012","16.6225","0.0003","44.8355","0.0013","90","","111.414","0.004","90","","24182.6","1.3","240","","240","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.08 S0.54 -","- C80 H144 Cr8 F8 O32.908 S0.454 -","- C640 H1152 Cr64 F64 O263.264 S3.632 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0658","0.0461","","","0.124","0.1338","","","","","","1.03","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700805","34.9677","0.0013","16.6698","0.0003","45.0674","0.0018","90","","111.33","0.004","90","","24470.5","1.6","298","5","298","5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.68 S0.84 -","- C80 H144 Cr8 F8 O33.684 S0.842 -","- C640 H1152 Cr64 F64 O269.472 S6.736 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.1148","0.0596","","","0.1594","0.1862","","","","","","1.013","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700806","34.8086","0.001","16.4934","0.0003","44.0632","0.0012","90","","111.439","0.003","90","","23546.8","1.1","150","0.1","149.8","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.73 S0.87 -","- C80 H144 Cr8 F8 O33.728 S0.864 -","- C640 H1152 Cr64 F64 O269.824 S6.912 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0703","0.0474","","","0.1152","0.1245","","","","","","1.042","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700807","34.8686","0.0015","16.6607","0.0006","45.057","0.0019","90","","111.276","0.005","90","","24391.2","1.9","310","0.1","310","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.58 S0.79 -","- C80 H144 Cr8 F8 O33.574 S0.787 -","- C640 H1152 Cr64 F64 O268.592 S6.296 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.1143","0.061","","","0.1618","0.1877","","","","","","1.006","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700808","34.909","0.0012","16.6118","0.0004","44.8078","0.0018","90","","111.483","0.005","90","","24178.9","1.6","249.9","0.5","249.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.76 S0.88 -","- C80 H144 Cr8 F8 O33.764 S0.882 -","- C640 H1152 Cr64 F64 O270.112 S7.056 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.1409","0.0703","","","0.1558","0.1972","","","","","","1.031","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700809","34.8127","0.0017","16.6793","0.0008","45.24","0.002","90","","111.106","0.006","90","","24506","2","350.02","0.1","350.02","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.28 S0.64 -","- C80 H144 Cr8 F8 O33.272 S0.636 -","- C640 H1152 Cr64 F64 O266.176 S5.088 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.1372","0.0656","","","0.1771","0.2098","","","","","","1.042","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700810","34.8857","0.0011","16.5618","0.0004","44.4679","0.0017","90","","111.459","0.004","90","","23911.2","1.5","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.76 S0.88 -","- C80 H144 Cr8 F8 O33.764 S0.882 -","- C640 H1152 Cr64 F64 O270.112 S7.056 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.1186","0.0647","","","0.1404","0.1706","","","","","","1.029","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700811","34.8231","0.0012","16.625","0.0003","44.8309","0.0013","90","","111.355","0.004","90","","24172.2","1.3","239.74","0.1","239.74","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32.89 S0.44 -","- C80 H144 Cr8 F8 O32.844 S0.422 -","- C640 H1152 Cr64 F64 O262.752 S3.376 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0666","0.0466","","","0.1269","0.1368","","","","","","1.037","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700812","34.828","0.0004","16.46848","0.00017","43.7202","0.0006","90","","111.333","0.0015","90","","23358.1","0.5","100","2","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H145.57 Cr8 F8 O32 S0.78 -","- C80 H145.572 Cr8 F8 O32 S0.786 -","- C640 H1164.58 Cr64 F64 O256 S6.288 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0901","0.046","","","0.1067","0.1232","","","","","","1.001","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700813","34.932","0.0007","16.46","0.0003","43.7453","0.0011","90","","111.406","0.003","90","","23417.6","1","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.74 S0.87 -","- C80 H144 Cr8 F8 O33.74 S0.87 -","- C640 H1152 Cr64 F64 O269.92 S6.96 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0935","0.0593","","","0.1178","0.1334","","","","","","1.042","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700814","34.9035","0.001","16.6096","0.0003","44.7863","0.0012","90","","111.483","0.003","90","","24160.3","1.2","249.9","0.5","249.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.67 S0.83 -","- C80 H144 Cr8 F8 O33.67 S0.835 -","- C640 H1152 Cr64 F64 O269.36 S6.68 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0627","0.0455","","","0.1253","0.1347","","","","","","1.047","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700815","34.8328","0.0012","16.6255","0.0003","44.8334","0.0013","90","","111.373","0.004","90","","24178","1.3","249.9","0.5","249.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.08 S0.54 -","- C80 H144 Cr8 F8 O32.888 S0.444 -","- C640 H1152 Cr64 F64 O263.104 S3.552 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0674","0.0467","","","0.1264","0.1364","","","","","","1.055","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700816","34.8692","0.0012","16.6217","0.0003","44.8285","0.0012","90","","111.414","0.004","90","","24188.3","1.3","249.9","0.5","249.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.08 S0.54 -","- C80 H144 Cr8 F8 O33.108 S0.554 -","- C640 H1152 Cr64 F64 O264.864 S4.432 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0652","0.0465","","","0.1258","0.1352","","","","","","1.044","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700817","34.7214","0.0011","16.5877","0.0003","44.6977","0.0017","90","","111.193","0.004","90","","24002.5","1.4","240","","240","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32 -","- C80 H144 Cr8 F8 O32 -","- C640 H1152 Cr64 F64 O256 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.0713","0.0499","","","0.1418","0.1531","","","","","","1.051","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700818","34.8365","0.0012","16.6328","0.0003","44.854","0.0013","90","","111.361","0.004","90","","24204.3","1.3","240","","240","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32.86 S0.43 -","- C80 H144 Cr8 F8 O32.852 S0.426 -","- C640 H1152 Cr64 F64 O262.816 S3.408 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.067","0.0467","","","0.1277","0.1377","","","","","","1.04","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700819","34.7353","0.0009","16.5967","0.0004","44.7645","0.0014","90","","111.279","0.003","90","","24047","1.2","239.92","0.1","239.92","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32 -","- C80 H144 Cr8 F8 O32 -","- C640 H1152 Cr64 F64 O256 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.0748","0.0515","","","0.1466","0.1603","","","","","","1.041","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700820","34.7957","0.0014","16.4957","0.0003","44.1262","0.0015","90","","111.36","0.004","90","","23587.8","1.5","150.01","0.1","150.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.69 S0.84 -","- C80 H144 Cr8 F8 O33.688 S0.842 -","- C640 H1152 Cr64 F64 O269.504 S6.736 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","x-ray","0.71073","MoKα","","0.0794","0.0527","","","0.1302","0.1426","","","","","","1.049","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700821","34.8442","0.0012","16.6245","0.0003","44.8378","0.0013","90","","111.392","0.004","90","","24183.7","1.3","239.76","0.1","239.76","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.08 S0.54 -","- C80 H144 Cr8 F8 O32.934 S0.467 -","- C640 H1152 Cr64 F64 O263.472 S3.736 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0662","0.0464","","","0.1259","0.1357","","","","","","1.054","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700822","34.7891","0.0014","16.5631","0.0003","44.6159","0.0018","90","","111.394","0.004","90","","23936.9","1.6","240","","240","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O33.69 S0.85 -","- C80 H144 Cr8 F8 O33.694 S0.847 -","- C640 H1152 Cr64 F64 O269.552 S6.776 -","8","1","","Vitórica-Yrezábal, Iñigo J; Sava, Daniel Florin; Reta, Daniel; Timco, Grigore A.; Winpenny, Richard E. P.","Reversible uptake of sulfur-containing gases by single crystals of a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13184","13189","10.1039/c9dt02378j","","","0.71073","MoKα","","0.0708","0.0469","","","0.1243","0.1344","","","","","","1.057","","","","has coordinates,has disorder","224510","2020-10-21","18:00:00",""
"7700967","20.0464","0.0002","8.7971","0.0001","44.8873","0.0006","90","","95.644","0.001","90","","7877.51","0.16","99.9","0.7","99.9","0.7","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H26 O Si2 -","- C34 H26 O Si2 -","- C408 H312 O12 Si24 -","12","1.5","","Rabanzo-Castillo, Kristel M; Hanif, Muhammad; Söhnel, Tilo; Leitao, Erin M.","Synthesis, characterisation and electronic properties of naphthalene bridged disilanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","37","13971","13980","10.1039/c9dt03058a","","x-ray","1.54184","CuKα","","0.0306","0.0298","","","0.076","0.0766","","","","","","1.038","","","","has coordinates","223851","2020-10-21","18:00:00",""
"7701489","20.374","0.006","14.738","0.003","22.538","0.007","90","","110.75","0.02","90","","6329","3","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C62 H66 Cu2 N8 O19 Zn2 -","- C62 H66 Cu2 N8 O19 Zn2 -","- C248 H264 Cu8 N32 O76 Zn8 -","4","0.5","","Mielcarek, Agnieszka; Bieńko, Alina; Saramak, Paulina; Jezierska, Julia; Dołęga, Anna","Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for oxidation of 1-phenylethanol and unusual magnetic properties","Dalton Transactions","2019","","","","","10.1039/C9DT03304A","","x-ray","0.71073","MoKα","","0.1014","0.0569","","","0.1083","0.1305","","","","","","1.053","","","","has coordinates,has disorder","223276","2020-10-21","18:00:00",""
"7701612","7.7542","0.0006","10.5032","0.0006","9.6297","0.001","90","","92.624","0.007","90","","783.46","0.11","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C7 H6 Cu N2 O4 -","- C7 H6 Cu N2 O4 -","- C28 H24 Cu4 N8 O16 -","4","0.5","","Zhao, Ming-Yu; Zhu, Jian-Nan; Li, Peng; Li, Wei; Cai, Ting; Cheng, Fang-Fang; Xiong, Wei-Wei","Structural variation of transition metal-organic frameworks using deep eutectic solvents with different hydrogen bond donors.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10199","10209","10.1039/c9dt01050e","","","0.71073","MoKα","","0.0453","0.0335","","","0.0731","0.0792","","","","","","1.018","","","","has coordinates","223319","2020-10-21","18:00:00",""
"7701645","26.974","0.0015","6.4025","0.0003","33.146","0.0015","90","","90.429","0.004","90","","5724.2","0.5","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H49 B P2 -","- C30 H49 B P2 -","- C240 H392 B8 P16 -","8","1","","Ordyszewska, Anna; Szynkiewicz, Natalia; Perzanowski, Emil; Chojnacki, Jarosław; Wiśniewska, Aleksandra; Grubba, Rafał","Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12482","12495","10.1039/c9dt02195g","","x-ray","0.71073","MoKα","","0.0623","0.0477","","","0.1231","0.1307","","","","","","1.037","","","","has coordinates,has disorder","223326","2020-10-21","18:00:00",""
"7701669","19.0666","0.0002","12.8247","0.0002","34.3229","0.0005","90","","104.8","0.001","90","","8114.3","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","W(CCCCPh3)(CO)2Tp*","","- C40 H39 B Cl2 N6 O2 W -","- C40 H39 B Cl2 N6 O2 W -","- C320 H312 B8 Cl16 N48 O16 W8 -","8","1","","Hill, Anthony F.; Manzano, Richard A.","A [C<sub>1</sub> + C<sub>2</sub>] route to propargylidyne complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6596","6610","10.1039/c9dt00876d","","x-ray","1.54184","CuKα","","0.0315","0.0282","","","0.0734","0.0757","","","","","","1.034","","","","has coordinates,has disorder","223330","2020-10-21","18:00:00",""
"7701693","15.5098","0.0003","10.3095","0.0002","27.398","0.0005","90","","104.491","0.002","90","","4241.52","0.14","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H28 Cl2 Si Zr -","- C22 H28 Cl2 Si Zr -","- C176 H224 Cl16 Si8 Zr8 -","8","1","","Lamb, Jessica V.; Buffet, Jean-Charles; Matley, Joshua E.; Wright, Christopher M. R.; Turner, Zoë R; O'Hare, Dermot","Group 4 permethylindenyl complexes for the polymerisation of l-, d- and rac-lactide monomers.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2510","2520","10.1039/c8dt04986f","","","1.54184","CuKα","","0.0657","0.0578","","","0.1514","0.1593","","","","","","1.03","","","","has coordinates","223338","2020-10-21","18:00:00",""
"7701842","25.0749","0.0003","8.1279","0.0001","26.3766","0.0004","90","","103.032","0.001","90","","5237.26","0.12","149.99","0.1","149.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","tBu-POCOP-Pd-NCS","","- C23 H39 N O2 P2 Pd S -","- C23 H39 N O2 P2 Pd S -","- C184 H312 N8 O16 P16 Pd8 S8 -","8","1","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0361","0.0305","","","0.0747","0.0774","","","","","","1.146","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7701843","25.191","0.0003","8.172","0.0001","26.5788","0.0004","90","","103.098","0.002","90","","5329.19","0.13","169.99","0.1","169.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","tBu-POCOP-Pd-NCSe","","- C23 H39 N O2 P2 Pd Se -","- C23 H39 N O2 P2 Pd Se -","- C184 H312 N8 O16 P16 Pd8 Se8 -","8","1","","Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian","Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity","Dalton Transactions","2019","","","","","10.1039/C9DT03954F","","x-ray","1.54184","CuKα","","0.0308","0.0285","","","0.0734","0.0747","","","","","","1.07","","","","has coordinates","225379","2020-10-21","18:00:00",""
"7702237","14.5052","0.0012","25.0735","0.0019","25.095","0.005","90","","90.268","0.013","90","","9127","2","120.01","0.1","120.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C72 H72 Cl2 Cr2 Cu5 N14 O26 -","- C72 H72 Cl2 Cr2 Cu5 N14 O26 -","- C288 H288 Cl8 Cr8 Cu20 N56 O104 -","4","0.5","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","1.54184","CuKα","","0.3043","0.2142","","","0.5029","0.5502","","","","","","1.446","","","","has coordinates","236860","2020-10-21","18:00:00",""
"7702408","17.1706","0.0011","10.8107","0.0007","21.3415","0.0013","90","","109.697","0.007","90","","3729.7","0.4","200","3","200","3","","","","","","","crystal provided by C. Janiak, Uni FR","6","I 1 2/a 1","-I 2ya","15","[(C10 H10 N4)2 Ag3](BF4)3 . 3 CH3CN","tris(acetonitrile)-bis(μ-2,2'-dimethyl-4,4'-bipyrimidine)-trisilver(I) tetrafluoroborate","","- C26 H29 Ag3 B3 F12 N11 -","- C26 H29 Ag3 B3 F12 N11 -","- C104 H116 Ag12 B12 F48 N44 -","4","0.5","","Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G.","Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine †","Journal of the Chemical Society, Dalton Transactions","1999","","17","3121","","10.1039/a904829d","","","0.71073","MoKα","","0.0325","0.0291","","","0.0755","0.0771","","","","","","1.033","","","","has coordinates","243856","2020-10-21","18:00:00",""
"7702409","17.3846","0.0011","10.9689","0.001","21.9716","0.0014","90","","105.148","0.007","90","","4044.2","0.5","200","3","200","3","","","","","","","crystal provided by C. Janiak, Uni FR","6","I 1 2/a 1","-I 2ya","15","[(C10 H10 N4)2 Ag3](PF6)3 . 3 CH3CN","tris(acetonitrile)-bis(μ-2,2'-dimethyl-4,4'-bipyrimidine)-trisilver(I) hexafluorophosphate","","- C26 H29 Ag3 F18 N11 P3 -","- C26 H29 Ag3 F18 N11 P3 -","- C104 H116 Ag12 F72 N44 P12 -","4","0.5","","Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G.","Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine †","Journal of the Chemical Society, Dalton Transactions","1999","","17","3121","","10.1039/a904829d","","","0.71073","MoKα","","0.0403","0.0364","","","0.0974","0.0996","","","","","","1.046","","","","has coordinates","243856","2020-10-21","18:00:00",""
"7702431","22.761","0.013","13.423","0.007","24.023","0.01","90","","108.216","0.017","90","","6972","6","220","","220","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C53 H102 Cl2 Gd2 Mn2 O24 -","- C53 H102 Cl2 Gd2 Mn2 O24 -","- C212 H408 Cl8 Gd8 Mn8 O96 -","4","0.5","","Benelli, Cristiano; Murrie, Mark; Parsons, Simon; Winpenny, Richard E. P.","Synthesis, structural and magnetic characterisation of a new Mn‒Gd pivalate: preparation from a pre-formed hexanuclear cluster †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4125","","10.1039/a907977g","","","0.71073","MoKα","","0.1663","0.0767","","","0.1578","0.2033","","","","","","1.011","","","","has coordinates","243863","2020-10-21","18:00:00",""
"7702432","22.641","0.009","13.418","0.004","24.024","0.008","90","","108.15","0.03","90","","6935","4","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C53 H102 Cl2 Dy2 Mn2 O24 -","- C53 H102 Cl2 Dy2 Mn2 O24 -","- C212 H408 Cl8 Dy8 Mn8 O96 -","4","0.5","","Benelli, Cristiano; Murrie, Mark; Parsons, Simon; Winpenny, Richard E. P.","Synthesis, structural and magnetic characterisation of a new Mn‒Gd pivalate: preparation from a pre-formed hexanuclear cluster †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4125","","10.1039/a907977g","","","0.71073","MoKα","","0.0476","0.0327","","","0.0619","0.0687","","","","","","1.042","","","","has coordinates","243863","2020-10-21","18:00:00",""
"7702810","25.968","0.004","6.0223","0.0009","27.835","0.004","90","","108.531","0.003","90","","4127.3","1.1","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Pd(BIP)Py","Pd(BIP)Py ?","","- C26 H18 N4 Pd -","- C26 H18 N4 Pd -","- C208 H144 N32 Pd8 -","8","1","","Liu, Qinde; Thorne, Lisa; Kozin, Igor; Song, Datong; Seward, Corey; D'Iorio, Marie; Tao, Ye; Wang, Suning","New red‒orange phosphorescent/electroluminescent cycloplatinated complexes of 2,6-bis(2′-indolyl)pyridine","Journal of the Chemical Society, Dalton Transactions","2002","","16","3234","","10.1039/b201951e","","","0.71073","MoKα","","0.1156","0.0377","","","0.0482","0.0594","","","","","","0.714","","","","has coordinates","244022","2020-10-21","18:00:00",""
"7702811","25.271","0.006","5.9002","0.0016","27.604","0.008","90","","109.011","0.005","90","","3891.4","1.8","298","2","298","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Pt(BIP)(SMe2) ?","","- C23 H19 N3 Pt S -","- C23 H19 N3 Pt S -","- C184 H152 N24 Pt8 S8 -","8","1","","Liu, Qinde; Thorne, Lisa; Kozin, Igor; Song, Datong; Seward, Corey; D'Iorio, Marie; Tao, Ye; Wang, Suning","New red‒orange phosphorescent/electroluminescent cycloplatinated complexes of 2,6-bis(2′-indolyl)pyridine","Journal of the Chemical Society, Dalton Transactions","2002","","16","3234","","10.1039/b201951e","","","0.71073","MoKα","","0.119","0.0787","","","0.1602","0.168","","","","","","1.129","","","","has coordinates","244022","2020-10-21","18:00:00",""
"7703033","17.756","0.004","8.602","0.003","35.078","0.005","90","","99.697","0.019","90","","5281","2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H20 Cl4 N2 O2 Te2 -","- C23 H20 Cl4 N2 O2 Te2 -","- C184 H160 Cl32 N16 O16 Te16 -","8","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.0362","0.0345","","","0.0712","0.0723","","","","","","1.168","","","","has coordinates,has disorder","247722","2020-10-21","18:00:00",""
"7703253","15.1288","0.0003","14.0651","0.0003","29.2057","0.0004","90","","95.672","0.002","90","","6184.2","0.2","173","0.02","173","0.02","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C54 H44 Ag4 F12 N4 O18 S4 -","- C54 H44 Ag4 F12 N4 O18 S4 -","- C216 H176 Ag16 F48 N16 O72 S16 -","4","0.5","","Wang, Ning; Zhang, Junying; Xu, Xing-Dong; Feng, Shengyu","Turn-on fluorescence in a pyridine-decorated tetraphenylethylene: the cooperative effect of coordination-driven rigidification and silver ion induced aggregation.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1883","1890","10.1039/c9dt03985f","","x-ray","1.54184","CuKα","","0.0437","0.0367","","","0.0903","0.0985","","","","","","1.038","","","","has coordinates","248956","2020-10-21","18:00:00",""
"7703384","14.962","0.002","17.893","0.004","23.016","0.005","90","","95.821","0.015","90","","6130","2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C29 H29 Gd N4 O6 -","- C29 H29 Gd N4 O6 -","- C232 H232 Gd8 N32 O48 -","8","1","","Kitagawa, Yuichi; Kumagai, Marina; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","First aggregation-induced emission of a Tb(iii) luminophore based on modulation of ligand-ligand charge transfer bands.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2431","2436","10.1039/d0dt00094a","","x-ray","0.71073","MoKα","","0.1902","0.078","","","0.1285","0.1576","","","","","","0.906","","","","has coordinates","248913","2020-10-21","18:00:00",""
"7703684","25.6216","0.0004","7.714","0.0001","35.6578","0.0006","90","","102.897","0.002","90","","6869.8","0.19","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H62 B2 N O2 P2 -","- C30 H62 B2 N O2 P2 -","- C240 H496 B16 N8 O16 P16 -","8","1","","Hood, Thomas M.; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and rhodium complexes of macrocyclic PNP and PONOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2077","2086","10.1039/c9dt04474d","","x-ray","1.54184","CuKα","","0.0586","0.0448","","","0.1081","0.1119","","","","","","0.917","","","","has coordinates,has disorder","248777","2020-10-21","18:00:00",""
"7703837","26.2033","0.0002","12.75","0.0001","38.5848","0.0003","90","","105.003","0.001","90","","12451.5","0.18","150.01","0.14","150.01","0.14","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C57 H44 B Cl4 F24 Rh S2 Si -","- C57 H44 B Cl4 F24 Rh S2 Si -","- C456 H352 B8 Cl32 F192 Rh8 S16 Si8 -","8","1","","Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.","Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5416","5419","10.1039/d0dt00725k","","x-ray","1.54184","CuKα","","0.0326","0.0306","","","0.0811","0.0829","","","","","","1.025","","","","has coordinates,has disorder","252754","2020-10-21","18:00:00",""
"7704215","20.647","0.003","12.9366","0.0009","20.2887","0.0017","90","","91.935","0.01","90","","5416.1","1","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Ce(Htp)2(BH4)]2","","- C48 H88 B2 Ce2 P4 -","- C48 H88 B2 Ce2 P4 -","- C192 H352 B8 Ce8 P16 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","1.54184","CuKα","","0.1223","0.0925","","","0.2215","0.2417","","","","","","1.071","","","","has coordinates","252768","2020-10-21","18:00:00",""
"7704216","20.4242","0.0011","12.8734","0.0009","20.6935","0.0018","90","","94.177","0.007","90","","5426.5","0.7","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Sm(Htp)2(BH4)]2","","- C48 H88 B2 P4 Sm2 -","- C48 H88 B2 P4 Sm2 -","- C192 H352 B8 P16 Sm8 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","1.54184","CuKα","","0.1396","0.0809","","","0.2104","0.2508","","","","","","1.043","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704217","20.7897","0.001","12.9165","0.0004","20.3007","0.0006","90","","92.015","0.004","90","","5448","0.4","159","2","159","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[La(Htp)2(BH4)]2","","- C48 H88 B2 La2 P4 -","- C48 H88 B2 La2 P4 -","- C192 H352 B8 La8 P16 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","","1.54184","CuKα","","0.1123","0.0982","","","0.2536","0.2657","","","","","","1.0628","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704219","20.3618","0.0013","12.8239","0.0019","20.685","0.003","90","","93.734","0.01","90","","5389.8","1.2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[Nd(Htp)2(BH4)]2","","- C48 H88 B2 Nd2 P4 -","- C48 H88 B2 Nd2 P4 -","- C192 H352 B8 Nd8 P16 -","4","0.5","","Liu, Jingjing; Nodaraki, Lydia E.; Cobb, Philip J.; Giansiracusa, Marcus J.; Ortu, Fabrizio; Tuna, Floriana; Mills, David P.","Synthesis and characterisation of light lanthanide bis-phospholyl borohydride complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6504","6511","10.1039/d0dt01241f","","x-ray","0.71073","MoKα","","0.254","0.1188","","","0.2827","0.3781","","","","","","0.988","","","","has coordinates,has disorder","252768","2020-10-21","18:00:00",""
"7704247","11.3834","0.0005","23.2108","0.001","15.7395","0.0007","90","","111.121","0.005","90","","3879.3","0.3","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H47 B2 Dy N12 O2 -","- C29 H31 B2 Dy N12 O2 -","- C116 H124 B8 Dy4 N48 O8 -","4","0.5","","Mikhalyova, Elena A.; Zeller, Matthias; Jasinski, Jerry P.; Butcher, Raymond J.; Carrella, Luca M.; Sedykh, Alexander E.; Gavrilenko, Konstantin S.; Smola, Sergey S.; Frasso, Michael; Cazorla, Sebastian Calderon; Perera, Kuluni; Shi, Anni; Ranjbar, Habib G.; Smith, Casey; Deac, Alexandru; Liu, Youlin; McGee, Sean M.; Dotsenko, Vladimir P.; Kumke, Michael U.; Müller-Buschbaum, Klaus; Rentschler, Eva; Addison, Anthony W.; Pavlishchuk, Vitaly V.","Combination of single-molecule magnet behaviour and luminescence properties in a new series of lanthanide complexes with tris(pyrazolyl)borate and oligo(β-diketonate) ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7774","7789","10.1039/d0dt00600a","","x-ray","1.54184","CuKα","","0.0375","0.0346","","","0.0861","0.0884","","","","","","1.038","","","","has coordinates","253924","2020-10-21","18:00:00",""
"7704502","10.16","0.0007","14.1135","0.0009","21.9573","0.0014","90","","97.56","0.006","90","","3121.2","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H21 Cd N7 O6 S2 -","- C33 H21 Cd N7 O6 S2 -","- C132 H84 Cd4 N28 O24 S8 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aydinlik, Seyma; Aygun, Muhittin","Zn(ii), Cd(ii) and Hg(ii) saccharinate complexes with 2,6-bis(2-benzimidazolyl)pyridine as promising anticancer agents in breast and lung cancer cell lines via ROS-induced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7842","7851","10.1039/d0dt01535k","","x-ray","0.71073","MoKα","","0.0502","0.0349","","","0.0702","0.0761","","","","","","1.071","","","","has coordinates","253908","2020-10-21","18:00:00",""
"7704503","10.2014","0.0006","14.2651","0.0007","21.9691","0.0012","90","","97.393","0.006","90","","3170.5","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H21 Hg N7 O6 S2 -","- C33 H21 Hg N7 O6 S2 -","- C132 H84 Hg4 N28 O24 S8 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aydinlik, Seyma; Aygun, Muhittin","Zn(ii), Cd(ii) and Hg(ii) saccharinate complexes with 2,6-bis(2-benzimidazolyl)pyridine as promising anticancer agents in breast and lung cancer cell lines via ROS-induced apoptosis.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7842","7851","10.1039/d0dt01535k","","x-ray","0.71073","MoKα","","0.0433","0.0337","","","0.0646","0.0686","","","","","","1.031","","","","has coordinates","253908","2020-10-21","18:00:00",""
"7704596","27.118","0.0007","9.132","0.0002","35.8913","0.0009","90","","106.414","0.003","90","","8525.9","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H29 F11 N5 P Ru -","- C44 H29 F11 N5 P Ru -","- C352 H232 F88 N40 P8 Ru8 -","8","1","","Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui","Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7044","7052","10.1039/d0dt01412e","","","0.71073","MoKα","","0.0483","0.034","","","0.0716","0.0789","","","","","","1.028","","","","has coordinates","252647","2020-10-21","18:00:00",""
"7704624","13.9476","0.0003","23.8594","0.0004","25.8161","0.0005","90","","99.154","0.002","90","","8481.7","0.3","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","C40 H36 Cl2 Cu2 Hg2 N4 O10 S2","C40 H36 Cl2 Cu2 Hg2 N4 O10 S2","","- C20 H18 Cl Cu Hg N2 O5 S -","- C20 H18 Cl Cu Hg N2 O5 S -","- C320 H288 Cl16 Cu16 Hg16 N32 O80 S16 -","16","2","","Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.","Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d<sup>10</sup>d<sup>10</sup>, d<sup>10</sup>d<sup>8</sup>, d<sup>8</sup>d<sup>8</sup>) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9099","9117","10.1039/d0dt01008a","","","0.71073","MoKα","","0.0601","0.0392","","","0.0828","0.0922","","","","","","1.039","","","","has coordinates,has disorder","254985","2020-10-21","18:00:00",""
"7704664","21.6397","0.0005","10.48","0.0002","26.8204","0.0006","90","","104.348","0.002","90","","5892.7","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H48 Cu2 N18 O9 Pd2 -","- C40 H48 Cu2 N18 O9 Pd2 -","- C160 H192 Cu8 N72 O36 Pd8 -","4","0.5","","Mishra, Soumya; Paital, Biswaranjan; Sahoo, Himansu Sekhar; Pati, Samar Gaurav; Tripathy, Debakanta; Debata, Niladri Bihari","A discrete Cu<sub>2</sub>(Pd-bpy)<sub>2</sub>L<sub>2</sub> heterometallic compound with superoxide dismutase enzyme like activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8850","8854","10.1039/d0dt00920b","","","1.54184","CuKα","","0.071","0.0592","","","0.1747","0.1848","","","","","","1.062","","","","has coordinates","254995","2020-10-21","18:00:00",""
"7704677","13.7106","0.0005","9.7609","0.0006","35.2338","0.0014","90","","96.509","0.004","90","","4684.9","0.4","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C44 H56 Co3 N4 O22 -","- C44 H56 Co3 N4 O22 -","- C176 H224 Co12 N16 O88 -","4","0.5","","Paul, Aparup; Viciano-Chumillas, Marta; Puschmann, Horst; Cano, Joan; Manna, Subal Chandra","Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear Co<sup>II</sup>-Co<sup>III</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","27","9516","9528","10.1039/d0dt00588f","","x-ray","0.71073","MoKα","","0.077","0.0615","","","0.1084","0.1143","","","","","","1.198","","","","has coordinates","254975","2020-10-21","18:00:00",""
"7704737","14.741","0.0006","20.2602","0.0005","18.8558","0.0007","90","","111.4","0.004","90","","5243.1","0.3","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C46 H44 F2 N6 O6 Sn -","- C46 H44 F2 N6 O6 Sn -","- C184 H176 F8 N24 O24 Sn4 -","4","0.5","","Chrysouli, M. P.; Banti, C. N.; Kourkoumelis, N.; Moushi, E. E.; Tasiopoulos, A. J.; Douvalis, A.; Papachristodoulou, C.; Hatzidimitriou, A. G.; Bakas, T.; Hadjikakou, S. K.","Ciprofloxacin conjugated to diphenyltin(IV): a novel formulation with enhanced antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11522","11535","10.1039/d0dt01665a","","","1.54184","CuKα","","0.0654","0.0523","","","0.1361","0.1428","","","","","","0.992","","","","has coordinates","256074","2020-10-21","18:00:00",""
"7704858","15.7095","0.0004","27.2107","0.0009","20.1686","0.0005","90","","99.605","0.002","90","","8500.5","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C38 H40 Br0.08 Dy N2.92 O16.75 Zn2 -","- C38 H40 Br0.0845 Dy N2.916 O16.748 Zn2 -","- C304 H320 Br0.676 Dy8 N23.328 O133.984 Zn16 -","8","1","","Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran","Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10580","10593","10.1039/d0dt00949k","","","0.71073","MoKα","","0.0664","0.0497","","","0.1318","0.1461","","","","","","1.035","","","","has coordinates,has disorder","257520","2020-10-21","18:00:00",""
"7704860","15.7454","0.0004","27.4209","0.0007","20.2012","0.0005","90","","99.431","0.002","90","","8604","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C38 H40 Cl Dy N2 O18 Zn2 -","- C38 H40 Cl1.001 Dy N2 O18.004 Zn2 -","- C304 H320 Cl8.008 Dy8 N16 O144.032 Zn16 -","8","1","","Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran","Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","30","10580","10593","10.1039/d0dt00949k","","","0.71073","MoKα","","0.0537","0.0407","","","0.0977","0.1053","","","","","","1.031","","","","has coordinates,has disorder","257520","2020-10-21","18:00:00",""
"7705016","14.6292","0.0003","18.101","0.0003","15.3035","0.0003","90","","103.274","0.002","90","","3944.15","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C30 H31 N6 O14 V2 -","- C30 H31 N6 O14 V2 -","- C120 H124 N24 O56 V8 -","4","0.5","","Deng, Lan; Zhou, Zhao-Hui","Spontaneous conversions of glutamine, histidine and arginine into α-hydroxycarboxylates with NH<sub>4</sub>VO<sub>3</sub> or V<sub>2</sub>O<sub>5</sub>.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11921","11930","10.1039/d0dt02150d","","x-ray","1.54184","CuKα","","0.0494","0.047","","","0.1221","0.1265","","","","","","1.062","","","","has coordinates","256114","2020-10-21","18:00:00",""
"7705089","24.4203","0.0005","27.623","0.0004","24.4269","0.0006","90","","111.175","0.002","90","","15364.9","0.6","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C96 H48 Mo24 N16 O108 Si2 Zn8 -","- C96 H48 Mo24 N16 O108 Si2 Zn8 -","- C192 H96 Mo48 N32 O216 Si4 Zn16 -","2","0.25","","You, Ming-Hua; Li, Meng-Hua; Liu, Jing-Yan; Lin, Mei-Jin","Impact of diffusion methods and metal cations on photochromic three-component D-A hybrid heterostructures.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12411","12417","10.1039/d0dt02532a","","x-ray","1.3405","GaKα","","0.1597","0.1352","","","0.3902","0.4139","","","","","","1.602","","","","has coordinates","257563","2020-10-21","18:00:00",""
"7705119","13.5976","0.0003","14.8217","0.0003","19.8001","0.0005","90","","107.901","0.003","90","","3797.32","0.16","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C15 H24 Au Cl N2 Se -","- C15 H24 Au Cl N2 Se -","- C120 H192 Au8 Cl8 N16 Se8 -","8","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","0.71073","MoKα","","0.0205","0.0173","","","0.0351","0.0361","","","","","","1.032","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705183","16.7942","0.0019","12.0222","0.0013","35.531","0.005","90","","91.82","0.007","90","","7170.2","1.5","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H43 Cl Fe N3 -","- C35 H43 Cl Fe N3 -","- C280 H344 Cl8 Fe8 N24 -","8","1","","Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong","Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12287","12297","10.1039/d0dt02087g","","","0.71073","MoKα","","0.1493","0.0675","","","0.1601","0.1955","","","","","","1.014","","","","has coordinates,has disorder","257555","2020-10-21","18:00:00",""
"7705230","25.427","0.0009","12.1243","0.0005","33.2299","0.001","90","","100.785","0.003","90","","10063.3","0.6","293","2","293","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","DS05","","- C50 H53 Ag Cl2 N5 O3 P2 S0.12 -","- C51 H52 Ag Cl N4 O3 P2 S -","- C408 H416 Ag8 Cl8 N32 O24 P16 S8 -","8","1","","Silva, Débora E S; Becceneri, Amanda B.; Santiago, João V B; Gomes Neto, José A; Ellena, Javier; Cominetti, Márcia R; Pereira, José C M; Hannon, Michael J.; Netto, Adelino V. G.","Silver(I) complexes of 3-methoxy-4-hydroxybenzaldehyde thiosemicarbazones and triphenylphosphine: structural, cytotoxicity, and apoptotic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16474","16487","10.1039/d0dt01134g","","x-ray","0.71073","MoKα","","0.0628","0.0366","","","0.0722","0.0882","","","","","","1.06","","","","has coordinates","260771","2021-01-07","06:26:22",""
"7705231","25.5169","0.001","10.2681","0.0003","43.641","0.0013","90","","102.951","0.003","90","","11143.5","0.7","298","","298","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","DES 6","","- C47 H49 Ag Cl2 N6 O2 P2 S0.12 -","- C52 H54 Ag Cl N4 O2 P2 S -","- C416 H432 Ag8 Cl8 N32 O16 P16 S8 -","8","1","","Silva, Débora E S; Becceneri, Amanda B.; Santiago, João V B; Gomes Neto, José A; Ellena, Javier; Cominetti, Márcia R; Pereira, José C M; Hannon, Michael J.; Netto, Adelino V. G.","Silver(I) complexes of 3-methoxy-4-hydroxybenzaldehyde thiosemicarbazones and triphenylphosphine: structural, cytotoxicity, and apoptotic studies.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16474","16487","10.1039/d0dt01134g","","x-ray","0.71073","MoKα","","0.1286","0.053","","","0.1186","0.1488","","","","","","1.01","","","","has coordinates","260771","2021-01-07","06:26:22",""
"7705241","20.8421","0.0001","13.9804","0.0001","19.0077","0.0001","90","","95.099","0.001","90","","5516.56","0.06","173.01","0.1","173.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H29 Cl2 Co N5 O4 S2 -","- C23 H29 Cl2 Co N5 O4 S2 -","- C184 H232 Cl16 Co8 N40 O32 S16 -","8","1","","Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin","Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12662","12673","10.1039/d0dt02482a","","x-ray","1.54184","CuKα","","0.0373","0.0339","","","0.0833","0.0849","","","","","","1.043","","","","has coordinates","257541","2020-10-21","18:00:00",""
"7705317","24.8978","0.0005","13.9828","0.0003","33.8978","0.0007","90","","110.867","0.001","90","","11027.2","0.4","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C53 H72 Cu K N5 O9 P2 -","- C53 H72 Cu K N5 O9 P2 -","- C424 H576 Cu8 K8 N40 O72 P16 -","8","1","","Tretiakov, Serhii; Damen, Johannes A. M.; Lutz, Martin; Moret, Marc-Etienne","A dianionic C<sub>3</sub>-symmetric scorpionate: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13549","13556","10.1039/d0dt02601h","","","0.71073","MoKα","","0.0658","0.044","","","0.1222","0.1358","","","","","","1.034","","","","has coordinates,has disorder","258830","2020-11-06","12:12:16",""
"7705334","13.4913","0.0001","14.3806","0.0001","17.9191","0.0001","90","","106.452","0.001","90","","3334.2","0.04","149.99","0.1","149.99","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C20 H26 Ag Au B2 F8 N8 -","- C20 H26 Ag Au B2 F8 N8 -","- C80 H104 Ag4 Au4 B8 F32 N32 -","4","0.5","","Li, Zili; Mackie, Emily R. R.; Ramkissoon, Pria; Mather, Joel C.; Wiratpruk, Nuchareenat; Soares da Costa, Tatiana P.; Barnard, Peter J.","Synthesis, conformational analysis and antibacterial activity of Au(I)-Ag(I) and Au(I)-Hg(II) heterobimetallic N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","36","12820","12834","10.1039/d0dt02225j","","","1.54184","CuKα","","0.022","0.0217","","","0.0593","0.0595","","","","","","1.084","","","","has coordinates,has disorder","257549","2020-10-21","18:00:00",""
"7705530","19.3223","0.0007","4.6693","0.0001","17.6807","0.0006","90","","112.336","0.004","90","","1475.5","0.09","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C10 H7 N2 Ni0.5 -","- C10 H7 N2 Ni0.5 -","- C80 H56 N16 Ni4 -","8","1","","Ukai, Shusaku; Koo, Yun Hee; Fukui, Norihito; Seki, Shu; Shinokubo, Hiroshi","Synthesis and electron-transport properties of a stable antiaromatic Ni<sup>II</sup> norcorrole with the smallest <i>meso</i>-substituent.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14383","14387","10.1039/d0dt03143g","","","0.71073","MoKα","","0.0486","0.045","","","0.1222","0.1253","","","","","","1.076","","","","has coordinates","258795","2020-11-06","11:59:11",""
"7705566","18.9408","0.001","9.9747","0.0004","33.4503","0.0017","90","","98.379","0.005","90","","6252.3","0.5","130","1","130","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C62 H53 Cl2 Co N11 O8 -","- C62 H53 Cl2 Co N11 O8 -","- C248 H212 Cl8 Co4 N44 O32 -","4","0.5","","Banasz, Radosław; Kubicki, Maciej; Wałęsa-Chorab, Monika","Yellow-to-brown and yellow-to-green electrochromic devices based on complexes of transition metal ions with a triphenylamine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","15041","15053","10.1039/d0dt03232h","","x-ray","1.54184","CuKα","","0.1097","0.0885","","","0.231","0.2452","","","","","","1.155","","","","has coordinates","258815","2020-11-06","12:06:55",""
"7705702","22.0273","0.0005","11.7156","0.0002","30.592","0.0007","90","","108.615","0.002","90","","7481.7","0.3","117.6","0.9","118","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H72 Cu F16 N12 Na2 O12 -","- C68 H72 Cu F16 N12 Na2 O12 -","- C272 H288 Cu4 F64 N48 Na8 O48 -","4","0.5","","Konarev, Dmitri V.; Faraonov, Maxim A.; Batov, Mikhail S.; Andronov, Mikhail G.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Effect of reduction on the molecular structure and optical and magnetic properties of fluorinated copper(II) phthalocyanines.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16821","16829","10.1039/d0dt02635b","","","0.71073","MoKα","","0.069","0.0435","","","0.0964","0.1065","","","","","","1.022","","","","has coordinates,has disorder","260748","2021-01-07","06:17:41",""
"7705735","15.2422","0.0006","16.9179","0.0006","27.128","0.0016","90","","99.245","0.004","90","","6904.5","0.6","130.01","0.1","130.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H38 Bi Cl3 N10 O14 -","- C18 H38 Bi Cl3 N10 O14 -","- C144 H304 Bi8 Cl24 N80 O112 -","8","1","","Lange, Jaclyn L.; Davey, Patrick R. W. J.; Ma, Michelle T.; White, Jonathan M.; Morgenstern, Alfred; Bruchertseifer, Frank; Blower, Philip J.; Paterson, Brett M.","An octadentate bis(semicarbazone) macrocycle: a potential chelator for lead and bismuth radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14962","14974","10.1039/d0dt02673e","","x-ray","0.71073","MoKα","","0.0455","0.0424","","","0.1098","0.1116","","","","","","1.03","","","","has coordinates,has disorder","258732","2020-11-04","20:05:50",""
"7706163","18.5302","0.0005","19.5531","0.0006","33.2117","0.0009","90","","90.005","0.003","90","","12033.4","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C64 Al4 Cu4 F144 O20 S2 -","- C63.992 Al4 Cu4 F143.982 O19.998 S2 -","- C255.968 Al16 Cu16 F575.928 O79.992 S8 -","4","0.5","","Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo","Extending the chemistry of weakly basic ligands: solvates of Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as model examples in the screening of useful weakly interacting solvents.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2050","2056","10.1039/d0dt03437a","","","1.54184","CuKα","","0.0723","0.0657","","","0.1732","0.1836","","","","","","1.027","","","","has coordinates,has disorder","262632","2021-03-05","02:01:52",""
"7706192","20.8273","0.0001","13.9967","0.0001","19.108","0.0001","90","","95.427","0.001","90","","5545.27","0.06","173","0.1","173","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C23 H29 Cl2 Fe N5 O4 S2 -","- C23 H29 Cl2 Fe N5 O4 S2 -","- C184 H232 Cl16 Fe8 N40 O32 S16 -","8","1","","Verhoeven, Dide G. A.; Albrecht, Martin","Modular O- <i>vs.</i> N-coordination of pyridylidene amide ligands to iron determines activity in alcohol oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17674","17682","10.1039/d0dt02818e","","x-ray","1.54184","CuKα","","0.0351","0.0323","","","0.0891","0.0909","","","","","","1.091","","","","has coordinates","260107","2020-12-23","03:05:00",""
"7706425","16.674","0.003","10.4513","0.0013","22.478","0.003","90","","108.767","0.015","90","","3708.9","1","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H20 N2 O4 Pb2 -","- C10 H20 N2 O4 Pb2 -","- C80 H160 N16 O32 Pb16 -","8","1","","Neto, Antonio de Brito Santiago; Alves da Cruz, Márcia Gabriely; Jeanneau, Erwann; Oliveira, Alcineia Conceição; Essayem, Nadine; Mishra, Shashank","Designed sol-gel precursors for atomically dispersed Nb and Pb within TiO<sub>2</sub> as catalysts for dihydroxyacetone transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1604","1609","10.1039/d0dt03726e","","x-ray","0.71073","MoKα","","0.0628","0.0499","","","0.128","0.1403","","","","","","1.126","","","","has coordinates","262619","2021-03-05","01:58:47",""
"7706511","24.0446","0.0002","14.3151","0.0001","28.3267","0.0002","90","","98.325","0.001","90","","9647.33","0.13","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C74 H146 Al Mo6 N7 O32 -","- C72.2 H140.294 Al Mo6 N6.1 O32 -","- C288.8 H561.176 Al4 Mo24 N24.4 O128 -","4","0.5","","Lin, Chang-Gen; Hutin, Marie; Busche, Christoph; Bell, Nicola L.; Long, De-Liang; Cronin, Leroy","Elucidating the paramagnetic interactions of an inorganic-organic hybrid radical-functionalized Mn-Anderson cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2350","2353","10.1039/d0dt04149a","","x-ray","0.71073","MoKα","","0.0371","0.0304","","","0.081","0.0852","","","","","","1.036","","","","has coordinates,has disorder","262648","2021-03-05","02:06:32",""
"7706527","25.6746","0.0003","14.06969","0.00019","40.5239","0.0005","90","","108.273","0.0013","90","","13900.4","0.3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H75 B F24 N P2 Rh -","- C68 H75 B F24 N P2 Rh -","- C544 H600 B8 F192 N8 P16 Rh8 -","8","1","","Hood, Thomas M.; Chaplin, Adrian B.","Synthesis and reactivity of iridium complexes of a macrocyclic PNP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2472","2482","10.1039/d0dt04303f","","x-ray","1.54184","CuKα","","0.0506","0.0459","","","0.1152","0.12","","","","","","1.006","","","","has coordinates,has disorder","262650","2021-03-05","02:07:11",""
"7706534","18.3088","0.0008","8.4872","0.0004","32.8245","0.0016","90","","101.52","0.004","90","","4997.9","0.4","298","2","298","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C26 H22 Cl N2 O3 P Ru -","- C26 H22 Cl N2 O3 P Ru -","- C208 H176 Cl8 N16 O24 P8 Ru8 -","8","1","","Yadav, Samanta; Vijayan, Paranthaman; Yadav, Sunil; Gupta, Rajeev","Ruthenium complexes of phosphine-amide based ligands as efficient catalysts for transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3269","3279","10.1039/d0dt04401f","","","0.71073","MoKα","","0.0466","0.0364","","","0.0813","0.0859","","","","","","1.023","","","","has coordinates","263757","2021-04-05","14:48:39",""
"7706848","13.8967","0.0008","8.1179","0.0003","13.4003","0.0007","90","","113.349","0.007","90","","1387.92","0.14","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","(5r,10s)-4-fluoro-10H-5,10-[1,2]benzenoacridophosphine","(5r,10s)-4-fluoro-10H-5,10-[1,2]benzenoacridophosphine","","- C19 H12 F P -","- C19 H12 F P -","- C76 H48 F4 P4 -","4","0.5","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0697","0.069","","","0.1533","0.1536","","","","","","1.359","","","","has coordinates,has disorder","266063","2021-06-05","18:47:29",""
"7707175","19.6279","0.0004","7.76","0.0002","26.5705","0.0006","90","","95.245","0.002","90","","4030.07","0.16","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H32 Fe N6 O6 S4 -","- C36 H32 Fe N6 O6 S4 -","- C144 H128 Fe4 N24 O24 S16 -","4","0.5","","Ghosh, Subrata; Kamilya, Sujit; Pramanik, Titas; Mohanty, Ashutosh; Rouzières, Mathieu; Herchel, Radovan; Mehta, Sakshi; Mondal, Abhishake","Thermo- and photoinduced spin state switching in an iron(II) 2D coordination network associated with large light-induced thermal hysteresis and tuning of dimensionality <i>via</i> ligand modulation.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7725","7735","10.1039/d1dt00212k","","","0.71073","MoKα","","0.0408","0.0361","","","0.0891","0.0924","","","","","","1.032","","","","has coordinates,has disorder","267159","2021-07-05","17:34:18",""
"7707177","19.7511","0.0006","7.8183","0.0002","26.7494","0.0007","90","","96.254","0.002","90","","4106.1","0.2","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H32 Fe N6 O6 S2 Se2 -","- C36 H32 Fe N6 O6 S2 Se2 -","- C144 H128 Fe4 N24 O24 S8 Se8 -","4","0.5","","Ghosh, Subrata; Kamilya, Sujit; Pramanik, Titas; Mohanty, Ashutosh; Rouzières, Mathieu; Herchel, Radovan; Mehta, Sakshi; Mondal, Abhishake","Thermo- and photoinduced spin state switching in an iron(II) 2D coordination network associated with large light-induced thermal hysteresis and tuning of dimensionality <i>via</i> ligand modulation.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7725","7735","10.1039/d1dt00212k","","","0.71073","MoKα","","0.0497","0.0387","","","0.0908","0.0968","","","","","","1.05","","","","has coordinates,has disorder","267159","2021-07-05","17:34:18",""
"7707588","22.849","0.006","12.166","0.003","31.936","0.01","90","","99.819","0.005","90","","8748","4","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C29 H44 Br2 Cl2 Cu2 N2 O12 Ru4 -","- C29 H44 Br2 Cl2 Cu2 N2 O12 Ru4 -","- C232 H352 Br16 Cl16 Cu16 N16 O96 Ru32 -","8","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.197","0.1706","","","0.394","0.4055","","","","","","1.172","","","","has coordinates,has disorder","268730","2021-09-06","11:01:49",""
"7707607","5.30221","0.00008","10.9571","0.0002","5.07411","0.00009","90","","94.5622","0.0013","90","","293.856","0.009","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Ho Nb O4 -","- Ho Nb O4 -","- Ho4 Nb4 O16 -","4","0.5","","Mullens, Bryce G.; Avdeev, Maxim; Brand, Helen E. A.; Mondal, S.; Vaitheeswaran, G.; Kennedy, Brendan J.","Insights into the structural variations in SmNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> and HoNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> combined experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9103","9117","10.1039/d1dt01051d","powder diffraction","neutron","1.622","","","","","","","","","0.03012","","1.33","","","","","","","has coordinates","268760","2021-09-06","11:10:59",""
"7707609","5.420642","0.000006","11.175429","0.000014","5.119937","0.000006","90","","94.6778","0.0001","90","","309.122","0.0006","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Nb O4 Sm -","- Nb O4 Sm -","- Nb4 O16 Sm4 -","4","0.5","","Mullens, Bryce G.; Avdeev, Maxim; Brand, Helen E. A.; Mondal, S.; Vaitheeswaran, G.; Kennedy, Brendan J.","Insights into the structural variations in SmNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> and HoNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> combined experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9103","9117","10.1039/d1dt01051d","powder diffraction","x-ray","0.687514","","","","","","","","","0.04827","","3.6","","","","","","","has coordinates","268760","2021-09-06","11:11:01",""
"7707746","12.5931","0.001","5.6798","0.0003","31.354","0.003","90","","90.669","0.007","90","","2242.5","0.3","104","","104","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","1-nitratoethyl-5H-tetrazole difulminato disilver(I)","1-nitratoethyl-5H-tetrazole difulminato disilver(I)","","- C5 H5 Ag2 N7 O5 -","- C5 H5 Ag2 N7 O5 -","- C40 H40 Ag16 N56 O40 -","8","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.035","0.0251","","","0.0571","0.0616","","","","","","1.041","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707931","5.46272","0.00018","11.2666","0.0004","5.14029","0.00018","90","","94.5234","0.0025","90","","315.38","0.019","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Nb Nd O4 -","- Nb Nd O4 -","- Nb4 Nd4 O16 -","4","0.5","","Saura-Múzquiz, Matilde; Mullens, Bryce G.; Maynard-Casely, Helen E; Kennedy, Brendan J.","Neutron diffraction study of the monoclinic - tetragonal phase transition in NdNbO<sub>4</sub> and NdTaO<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11485","11497","10.1039/d1dt01981c","powder diffraction","neutron","1.5413","","","","","","","","","0.03928","","1.18","","","","","","","has coordinates","268751","2021-09-06","11:08:27",""
"7707932","5.50402","0.00022","11.2142","0.0005","5.10419","0.00021","90","","95.7208","0.003","90","","313.48","0.02","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Nd O4 Ta -","- Nd O4 Ta -","- Nd4 O16 Ta4 -","4","0.5","","Saura-Múzquiz, Matilde; Mullens, Bryce G.; Maynard-Casely, Helen E; Kennedy, Brendan J.","Neutron diffraction study of the monoclinic - tetragonal phase transition in NdNbO<sub>4</sub> and NdTaO<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11485","11497","10.1039/d1dt01981c","powder diffraction","neutron","1.5413","","","","","","","","","0.03795","","1.29","","","","","","","has coordinates","268751","2021-09-06","11:08:27",""
"7707951","9.8786","0.0004","17.2644","0.0006","15.6853","0.0006","90","","101.359","0.004","90","","2622.7","0.18","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H30 Cl5 I2 N -","- C20 H30 Cl5 I2 N -","- C80 H120 Cl20 I8 N4 -","4","0.5","","Tania, ?; Poynder, Tiffany B.; Kaur, Aishvaryadeep; Barwise, Lachlan; Houston, Sevan D.; Nair, Akshay J.; Clegg, Jack K.; Wilson, David J. D.; Dutton, Jason L.","PhICl<sub>2</sub> is activated by chloride ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11986","11991","10.1039/d1dt02565a","","x-ray","0.71073","MoKα","","0.0283","0.0239","","","0.0493","0.0506","","","","","","1.048","","","","has coordinates","268811","2021-09-06","11:29:37",""
"7707961","16.2702","0.0008","10.6138","0.0004","16.3833","0.0013","90","","99.212","0.005","90","","2792.7","0.3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H36 Ge O4 -","- C34 H36 Ge O4 -","- C136 H144 Ge4 O16 -","4","0.5","","Püschmann, Sabrina D; Frühwirt, Philipp; Müller, Stefanie M; Wagner, Stefan H.; Torvisco, Ana; Fischer, Roland C.; Kelterer, Anne-Marie; Griesser, Thomas; Gescheidt, Georg; Haas, Michael","Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11965","11974","10.1039/d1dt02091a","","x-ray","0.71073","MoKα","","0.0273","0.0246","","","0.0604","0.0624","","","","","","1.077","","","","has coordinates","268803","2021-09-06","11:26:42",""
"7708186","22.5108","0.0004","12.8635","0.0002","27.2387","0.0005","90","","111.665","0.002","90","","7330.3","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C63.24 H112.48 B4 Li6 N4 O11.81 -","- C63.24 H112.48 B4 Li6 N4 O11.81 -","- C252.96 H449.92 B16 Li24 N16 O47.24 -","4","0.5","","Drescher, Wiebke; Kleeberg, Christian","N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13149","13157","10.1039/d1dt02327f","","","1.54184","CuKα","","0.058","0.054","","","0.1607","0.1655","","","","","","1.025","","","","has coordinates,has disorder","269704","2021-10-06","15:32:14",""
"7708352","21.8957","0.0008","12.5578","0.0004","41.1155","0.0011","90","","96.235","0.003","90","","11238.3","0.6","123","0.1","123","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C56 H86 Co Mg N2 O P4 -","- C56 H85 Co Mg N2 O P4 -","- C448 H680 Co8 Mg8 N16 O8 P32 -","8","1","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.0664","0.059","","","0.155","0.1623","","","","","","1.031","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708489","19.7928","0.0002","33.7801","0.0003","24.5621","0.0003","90","","105.549","0.001","90","","15821.3","0.3","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H81 Cl0.5 Li N O8.5 Pb5 -","- C68 H81 Cl0.5 Li N O8.5 Pb5 -","- C544 H648 Cl4 Li8 N8 O68 Pb40 -","8","1","","Xing, Tian; Prior, Timothy J.; Redshaw, Carl","Lead calix[n]arenes (n=4, 6, 8): Structures and ring opening homo-/co-polymerization capability for cyclic esters","Dalton Transactions","2021","","","","","10.1039/D1DT02790E","","x-ray","0.71075","MoKα","K-L~3~","0.0647","0.0389","","","0.0831","0.0897","","","","","","1.059","","","","has coordinates,has disorder","269412","2021-09-30","23:08:03",""
"7708542","19.0902","0.0003","12.0056","0.0002","22.7916","0.0003","90","","101.909","0.001","90","","5111.16","0.14","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H28.71 Cl N5 O1.36 Pt -","- C26 H28.712 Cl N5 O1.355 Pt -","- C208 H229.696 Cl8 N40 O10.84 Pt8 -","8","1","","Dobrynin, Mikhail V.; Kasatkina, Svetlana; Baykov, Sergey; Savko, Polina; Antonov, Nikita; Mikherdov, Alexander S.; Boyarskiy, Vadim; Islamova, Regina M.","Deprotonated diaminocarbene platinum complexes for thermoresponsive luminescent silicone materials: both catalysts and luminophores","Dalton Transactions","2021","","","","","10.1039/D1DT02823E","","x-ray","1.54184","CuKα","","0.04","0.0364","","","0.1015","0.1048","","","","","","1.154","","","","has coordinates,has disorder","269892","2021-10-11","22:59:11",""
"7708547","23.9212","0.0009","10.3352","0.0003","34.8506","0.0015","90","","90.661","0.004","90","","8615.6","0.6","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C43 H36 Cd2 N6 O10 S2 -","- C43 H36 Cd2 N6 O10 S2 -","- C344 H288 Cd16 N48 O80 S16 -","8","1","","Su, Yu-Qiao; Fu, Lianshe; Cui, Guang Hua","Two chemically robust Cd(II)-frameworks for efficient sensing of levofloxacin, benzaldehyde, and Fe3+ ions","Dalton Transactions","2021","","","","","10.1039/D1DT03205D","","x-ray","0.71073","MoKα","","0.0684","0.0439","","","0.0981","0.1123","","","","","","1.159","","","","has coordinates","269904","2021-10-12","22:56:10",""
"7708701","11.5517","0.0003","16.3753","0.0004","14.4599","0.0005","90","","97.099","0.003","90","","2714.3","0.14","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C11.5 H15.5 N O4.5 Ru -","- C11.5 H15.5 N O4.5 Ru -","- C92 H124 N8 O36 Ru8 -","8","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar","Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)","Dalton Transactions","2021","","","","","10.1039/D1DT03076K","","x-ray","0.71073","MoKα","","0.0242","0.02","","","0.0492","0.0502","","","","","","1.09","","","","has coordinates","270312","2021-11-05","00:01:34",""
"7708770","30.907","0.003","17.5383","0.0009","31.7979","0.0017","90","","97.233","0.002","90","","17099","2","180","2","180","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C83 H88 O25 Ti4 -","- C83 H88 O25 Ti4 -","- C664 H704 O200 Ti32 -","8","1","","Fang, Wei-hui; Muller, Rosa; Jethwa, Rajesh Bharat; Riesgo-González, Victor; Li, Ning; Pike, Sebastian D.; Bond, Andrew David; Luo, He-Kuan; Zhang, Chen; Wright, Dominic S.","Titanium Compounds Containing Naturally Occurring Dye Molecules","Dalton Transactions","2021","","","","","10.1039/D1DT03377H","","","1.54178","CuKα","","0.1406","0.0999","","","0.2857","0.3407","","","","","","1.04","","","","has coordinates","270556","2021-11-10","00:13:14",""
"7708777","22.943","0.004","8.4666","0.0011","23.193","0.004","90","","112.08","0.02","90","","4174.8","1.3","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C46 H44 Cu2 N4 O8 -","- C46 H44 Cu2 N4 O8 -","- C184 H176 Cu8 N16 O32 -","4","0.5","","Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei","Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides","Dalton Transactions","2021","","","","","10.1039/D1DT03310G","","x-ray","0.71073","MoKα","","0.2161","0.0996","","","0.1849","0.2541","","","","","","1.025","","","","has coordinates","270588","2021-11-11","00:00:41",""
"7708778","25.4894","0.0009","7.8244","0.0003","25.578","0.0014","90","","92.559","0.004","90","","5096.2","0.4","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H24 N8 O -","- C30 H24 N8 O -","- C240 H192 N64 O8 -","8","1","","Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei","Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides","Dalton Transactions","2021","","","","","10.1039/D1DT03310G","","","0.71073","MoKα","","0.1097","0.0698","","","0.1638","0.1975","","","","","","1.021","","","","has coordinates","270588","2021-11-11","00:00:44",""
"7708786","13.0965","0.0006","10.4041","0.0005","14.1531","0.0006","90","","99.845","0.003","90","","1900.06","0.15","297","2","297","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H22 B12 Br2 S2 -","- C6 H22 B12 Br2 S2 -","- C24 H88 B48 Br8 S8 -","4","0.5","","Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond","Dalton Transactions","2021","","","","","10.1039/D1DT03665C","","","0.71073","MoKα","","0.0315","0.0254","","","0.0625","0.0654","","","","","","1.023","","","","has coordinates","270590","2021-11-11","00:06:11",""
"7709141","20.5783","0.0007","18.5015","0.0005","33.6485","0.0009","90","","106.977","0.003","90","","12252.7","0.7","150","0.1","150","0.1","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C42.5 H49.5 As B Cl9.5 Ir N6 O2 W -","- C42.5 H49.5 As B Cl9.5 Ir N6 O2 W -","- C340 H396 As8 B8 Cl76 Ir8 N48 O16 W8 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.","Arsinocarbyne reactivity.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1907","1917","10.1039/d1dt03790k","","x-ray","1.54184","CuKα","","0.078","0.0524","","","0.1232","0.1352","","","","","","0.991","","","","has coordinates,has disorder","272672","2022-02-04","19:40:24",""
"7709221","11.92498","0.0001","25.4211","0.0002","23.36412","0.0002","90","","99.6857","0.0008","90","","6981.78","0.1","100.01","0.1","100.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C62 H50 B2 Co F26 N20 O2 -","- C60 H42 B2 Co F26 N20 -","- C240 H168 B8 Co4 F104 N80 -","4","0.5","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","48","18097","18106","10.1039/d1dt03535e","","","1.54184","CuKα","","0.0464","0.0408","","","0.1087","0.1122","","","","","","1.021","","","","has coordinates,has disorder","271809","2022-01-05","04:43:21",""
"7709245","7.6683","0.0006","10.3179","0.0013","33.709","0.002","90","","95.667","0.007","90","","2654","0.4","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C28 H18 Cd O5 -","- C28 H18 Cd O5 -","- C112 H72 Cd4 O20 -","4","0.5","","Zhang, Ji-Rui; Zhang, Hao-Yi; Guo, Jia-Hui; Liu, Zi-Han; Ma, Cheng-Yu; Yang, Xiao-Gang; Lu, Xiao-Yan; Qin, Jian-Hua; Ma, Lu-Fang","An anthracene based metal-organic framework showing efficient angle-dependent polarized emission, luminescence thermometry, and photoelectronic response.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1769","1774","10.1039/d1dt04077d","","x-ray","0.71073","MoKα","","0.1538","0.1011","","","0.2764","0.324","","","","","","1.0525","","","","has coordinates","272673","2022-02-04","19:40:31",""
"7709402","14.2146","0.0002","18.7121","0.0002","15.2367","0.0003","90","","113.076","0.002","90","","3728.46","0.11","123","0.1","123","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H36 Cu F6 N8 P -","- C42 H36 Cu F6 N8 P -","- C168 H144 Cu4 F24 N32 P4 -","4","0.5","","Shekhovtsov, Nikita A.; Kokina, Tatyana E.; Vinogradova, Katerina A.; Panarin, Andrey Y.; Rakhmanova, Marianna I.; Naumov, Dmitry Y.; Pervukhina, Natalya V.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.; Czerwieniec, Rafał; Bushuev, Mark B.","Near-infrared emitting copper(i) complexes with a pyrazolylpyrimidine ligand: exploring relaxation pathways","Dalton Transactions","2022","","","","","10.1039/D1DT04325K","","x-ray","1.54184","CuKα","","0.0313","0.0296","","","0.08","0.0815","","","","","","1.054","","","","has coordinates","272404","2022-02-01","23:56:23",""
"7709673","21.8778","0.0009","12.5511","0.0005","30.095","0.0012","90","","110.548","0.005","90","","7738","0.6","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H32 Cl6 N4 P2 Pt -","- C39 H32 Cl6 N4 P2 Pt -","- C312 H256 Cl48 N32 P16 Pt8 -","8","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0814","0.0542","","","0.1071","0.1174","","","","","","1.038","","","","has coordinates","273465","2022-03-05","23:54:49",""
"7709904","24.1264","0.0004","26.347","0.0003","24.1852","0.0004","90","","90.33","0.001","90","","15373.3","0.4","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","BM393","","- C37 H58 Cl2 N2 Pt S -","- C37 H58 Cl2 N2 Pt S -","- C592 H928 Cl32 N32 Pt16 S16 -","16","2","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0429","0.0348","","","0.0651","0.0699","","","","","","1.057","","","","has coordinates","274183","2022-03-31","22:57:56",""
"7709932","15.2583","0.0005","10.8243","0.0003","23.9765","0.0007","90","","100.328","0.002","90","","3895.8","0.2","125","2","125","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C33 H43 I2 N7 O5 Zn2 -","- C33 H43 I2 N7 O5 Zn2 -","- C132 H172 I8 N28 O20 Zn8 -","4","0.5","","Biswas, Sneha; CHOWDHURY, TANIA; Ghosh, Avik; Das, Abhijit K.; Das, Debasis","Effect of O-substitution in imidazole based Zn(II) dual fluorescent probes in the light of arsenate detection in potable water: A combined experimental and theoretical approach","Dalton Transactions","2022","","","","","10.1039/D2DT00357K","","","0.71073","MoKα","","0.0427","0.0301","","","0.0624","0.0703","","","","","","1.096","","","","has coordinates,has disorder","274407","2022-04-06","22:53:36",""
"7709933","15.3913","0.001","10.536","0.0007","23.7205","0.0016","90","","98.667","0.004","90","","3802.7","0.4","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C31 H39 I2 N7 O5 Zn2 -","- C31 H39 I2 N7 O5 Zn2 -","- C124 H156 I8 N28 O20 Zn8 -","4","0.5","","Biswas, Sneha; CHOWDHURY, TANIA; Ghosh, Avik; Das, Abhijit K.; Das, Debasis","Effect of O-substitution in imidazole based Zn(II) dual fluorescent probes in the light of arsenate detection in potable water: A combined experimental and theoretical approach","Dalton Transactions","2022","","","","","10.1039/D2DT00357K","","","0.71073","MoKα","","0.2099","0.071","","","0.1146","0.1546","","","","","","0.982","","","","has coordinates,has disorder","274407","2022-04-06","22:53:37",""
"7710074","12.494","0.0003","22.0708","0.0008","20.4806","0.0008","90","","91.562","0.002","90","","5645.5","0.3","109","2","109","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C38 H28 N4 S -","- C38 H28 N4 S -","- C304 H224 N32 S8 -","8","1","","Sahoo, Sipra Sucharita; Sahoo, Sameeta; Panda, Pradeepta K.","Monothia [22]pentaphyrin(2.0.1.1.0): a core-modified isomer of sapphyrin","Dalton Transactions","2022","","","","","10.1039/D2DT00698G","","","0.71073","MoKα","","0.1337","0.0723","","","0.172","0.2162","","","","","","1.017","","","","has coordinates","274590","2022-04-19","23:17:28",""
"7710170","15.8518","0.0003","15.4697","0.0004","13.9712","0.0002","90","","100.252","0.002","90","","3371.36","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C112 H128 N32 O56 -","8","1","","Tzegai, Wintana; Reil, Michaela; Burzlaff, Nicolai","Bis(4-carboxylpyrazol-1-yl)acetic acid: a scorpionate ligand for complexes with improved water solubility.","Dalton transactions (Cambridge, England : 2003)","2022","51","17","6839","6845","10.1039/d2dt00848c","","x-ray","1.54184","CuKα","","0.0552","0.0508","","","0.1306","0.1345","","","","","","1.061","","","","has coordinates,has disorder","274857","2022-05-03","22:50:12",""
"7710412","13.8479","0.0001","9.6096","0.0001","16.3317","0.0001","90","","97.478","0.001","90","","2154.82","0.03","100.2","0.6","100.2","0.6","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H16 F2 Fe N4 O4 -","- C26 H16 F2 Fe N4 O4 -","- C104 H64 F8 Fe4 N16 O16 -","4","0.5","","Clutterbuck, Katelyn M.; Abrahams, Brendan F.; Hudson, Timothy A.; van Koeverden, Martin P.","Mixed valency in a neutral 1D Fe-chloranilate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9199","9205","10.1039/d1dt04368d","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.074","0.0741","","","","","","1.13","","","","has coordinates","276616","2022-07-06","08:08:46",""
"7710413","16.3388","0.0004","9.7015","0.0002","13.8237","0.0003","90","","97.072","0.002","90","","2174.54","0.08","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H16 F2 N4 O4 Zn -","- C26 H16 F2 N4 O4 Zn -","- C104 H64 F8 N16 O16 Zn4 -","4","0.5","","Clutterbuck, Katelyn M.; Abrahams, Brendan F.; Hudson, Timothy A.; van Koeverden, Martin P.","Mixed valency in a neutral 1D Fe-chloranilate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9199","9205","10.1039/d1dt04368d","","x-ray","1.54184","CuKα","","0.0463","0.0421","","","0.1172","0.1251","","","","","","1.088","","","","has coordinates","276616","2022-07-06","08:08:49",""
"7710500","13.513","0.0007","18.433","0.0007","15.8418","0.0007","90","","91.342","0.004","90","","3944.9","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Poly{[hexaaqua(mu-aqua)bis(mu3-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-kO:k2O,O':kO')bis(mu-2-hydroxy-6-methyl-1H-pyridine-3-carboxylato-k2O,O':k2O',O'')dicobalt(II)dipotassium] nitrate}","","- C28 H38 Co2 N6 Na2 O25 -","- C28 H38 Co2 N6 Na2 O25 -","- C112 H152 Co8 N24 Na8 O100 -","4","0.5","","Razquin-Bobillo, Laura; Pajuelo-Corral, Oier; Artetxe, Beñat; Zabala-Lekuona, Andoni; Choquesillo-Lazarte, Duane; Rodríguez-Diéguez, Antonio; San Sebastian, Eider; Cepeda, Javier","Combined experimental and theoretical investigation on the magnetic properties derived from the coordination of 6-methyl-2-oxonicotinate to 3d-metal ions","Dalton Transactions","2022","","","","","10.1039/D2DT00838F","","","0.71073","MoKα","","0.0551","0.0498","","","0.1245","0.1288","","","","","","1.121","","","","has coordinates,has disorder","276060","2022-06-15","23:03:57",""
"7710527","26.7818","0.001","14.7271","0.0005","39.6947","0.0012","90","","104.187","0.004","90","","15178.8","0.9","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C146 H146 Eu2 F24 N6 O32 S4 -","- C146 H146 Eu2 F24 N6 O32 S4 -","- C584 H584 Eu8 F96 N24 O128 S16 -","4","0.5","","Wang, Yunlu; Zhou, Yanyan; Yao, Zhiwei; Huang, Wenru; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Asymmetric induction in quadruple-stranded europium(III) helicates and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","10973","10982","10.1039/d2dt01379g","","","0.71073","MoKα","","0.1685","0.0824","","","0.1652","0.2065","","","","","","0.988","","","","has coordinates,has disorder","277108","2022-08-06","11:47:54",""
"7710702","22.336","0.002","19.6856","0.0018","23.872","0.004","90","","90.432","0.0012","90","","10496","2","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C108 H140 N6 O12 Zn3 -","- C108 H140 N6 O12 Zn3 -","- C432 H560 N24 O48 Zn12 -","4","0.5","","Xing, Tian; Frese, Josef W. A.; Derbyshire, Max; Glenister, Mollie A.; Elsegood, Mark R. J.; Redshaw, Carl","Trinuclear zinc calix[4]arenes: synthesis, structure, and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01496c","","","0.71073","MoKα","","0.0814","0.0532","","","0.1309","0.1462","","","","","","1.023","","","","has coordinates,has disorder","276829","2022-07-23","00:02:03",""
"7710748","19.0772","0.0006","32.4115","0.001","19.4415","0.0015","90","","100.577","0.004","90","","11816.8","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C66 H48 Cu3 N12 O12 -","- C66 H48 Cu3 N12 O12 -","- C264 H192 Cu12 N48 O48 -","4","0.5","","Duan, Jingui; Dong, Qiubing; Ge, Kai; Zhang, Mingxing; Wang, Huijie","Rotation Configuration Control of the sp2 Bond in Diimidazole−dicarboxylate Linker for Isomerism of Porous Coordination Polymers","Dalton Transactions","2022","","","","","10.1039/D2DT01982E","","","0.71073","MoKα","","0.0858","0.0602","","","0.2026","0.2124","","","","","","1.035","","","","has coordinates","276838","2022-07-23","00:13:58",""
"7710920","17.90519","0.00019","10.80972","0.00012","35.6601","0.0005","90","","98.7252","0.0012","90","","6822.14","0.14","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H104 Al2 Si10 -","- C52 H104 Al2 Si10 -","- C208 H416 Al8 Si40 -","4","0.5","","Mitzel, Norbert Werner; Aders, Niklas; Lamm, Jan-Hendrik; Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg","Synthesis of bi- and tetradentate poly-Lewis acids by hydroalumination of poly-alkynyl-anthracene derivatives","Dalton Transactions","2022","","","","","10.1039/D2DT02118H","","x-ray","1.54184","CuKα","","0.036","0.031","","","0.0808","0.0847","","","","","","1.038","","","","has coordinates","277157","2022-08-08","23:13:47",""
"7710965","20.0799","0.0002","10.8146","0.0001","37.5441","0.0004","90","","102.104","0.001","90","","7971.68","0.14","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C81 H102 Cl6 N6 Pb3 -","- C81 H102 Cl6 N6 Pb3 -","- C324 H408 Cl24 N24 Pb12 -","4","0.5","","Radius, Udo; Philipp, Michael S. M.; Bertermann, Rüdiger","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Adducts of Plumbanes and Plumbylenes","Dalton Transactions","2022","","","","","10.1039/D2DT02462D","","","1.54184","CuKα","","0.0248","0.0244","","","0.061","0.0613","","","","","","1.11","","","","has coordinates","277242","2022-08-13","22:46:48",""
"7711064","14.2923","0.001","4.9794","0.0004","28.392","0.0017","90","","91.379","0.006","90","","2020","0.2","298.15","","298.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C8 H4 As I S2 -","- C8 H4 As I S2 -","- C64 H32 As8 I8 S16 -","8","1","","Takahara, Chisa; Iwasaki, Suzuka; Kihara, Hyota; Miyake, Yusuke; Imoto, Hiroaki; Naka, Kensuke","4-Aryldithieno[3,2-b:2′,3′-d]arsoles: effects of the As-substituent on the structure, photophysical properties, and stability","Dalton Transactions","2022","","","","","10.1039/D2DT02051C","","x-ray","0.71073","MoKα","","0.0359","0.028","","","0.0707","0.0735","","","","","","1.098","","","","has coordinates","277403","2022-08-25","22:49:36",""
"7711213","13.422","0.003","19.68","0.004","24.135","0.005","90","","104","0.03","90","","6186","2","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H90 Cr6 P6 Te8 -","- C36 H90 Cr6 P6 Te8 -","- C144 H360 Cr24 P24 Te32 -","4","0.5","","Bügel, Patrick; Krummenacher, Ivo; Weigend, Florian; Eichhöfer, Andreas","Experimental and theoretical evidence for low-lying excited states in [Cr6E8(PEt3)6] (E = S, Se, Te) cluster molecules","Dalton Transactions","2022","","","","","10.1039/D2DT01690G","","synchrotron","0.8","synchrotron","","0.0284","0.027","","","0.0709","0.0718","","","","","","1.081","","","","has coordinates","277739","2022-09-08","22:48:47",""
"7711281","29.422","0.002","10.6642","0.0009","29.458","0.002","90","","111.437","0.008","90","","8603.4","1.2","203","2","203","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H56 Na2 O2 Pb Si2 -","- C36 H56 Na2 O2 Pb Si2 -","- C288 H448 Na16 O16 Pb8 Si16 -","8","1","","Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee","Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K","Dalton Transactions","2022","","","","","10.1039/D2DT02615E","","","0.71073","MoKα","","0.1218","0.0579","","","0.1112","0.1246","","","","","","0.995","","","","has coordinates","277971","2022-09-18","23:07:01",""
"7711287","18.1428","0.0007","6.3491","0.0003","19.3303","0.0012","90","","93.242","0.001","90","","2223.1","0.19","100","0.1","100","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C22 H40 P2 Rh2 -","- C22 H40 P2 Rh2 -","- C88 H160 P8 Rh8 -","4","0.5","","Paskaruk, Katarina; Emslie, David J. H.; Britten, James F.","Coordination chemistry and structural rearrangements of the Me2PCH2AlMe2 ambiphilic ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02519A","","","0.71073","MoKα","","0.0256","0.019","","","0.0452","0.0461","","","","","","0.996","","","","has coordinates","277972","2022-09-18","23:09:02",""
"7711393","19.2644","0.0002","18.4583","0.0002","17.103","0.0002","90","","91.827","0.001","90","","6078.53","0.12","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H35 B2 N O2 -","- C36 H35 B2 N O2 -","- C288 H280 B16 N8 O16 -","8","1","","Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon","Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02888c","","","1.54184","CuKα","","0.0543","0.0495","","","0.1408","0.1468","","","","","","1.044","","","","has coordinates,has disorder","278341","2022-10-04","22:56:11",""
"7711471","19.4122","0.0003","27.6488","0.0003","23.3343","0.0003","90","","92.932","0.001","90","","12507.7","0.3","104","6","104.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C60.5 H87.5 N4 O6 Tb -","- C60.5 H87.5 N4 O6 Tb -","- C484 H700 N32 O48 Tb8 -","8","1","","Nazarov, Dmitry I.; Faraonov, Maxim A.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Crystalline paramagnetic supramolecular 2D-polymer of tetra(4-pyridyl)porphyrin and terbium(III) complex","Dalton Transactions","2022","","","","","10.1039/D2DT03170A","","","0.71073","MoKα","","0.0749","0.0664","","","0.1607","0.1655","","","","","","1.192","","","","has coordinates,has disorder","278571","2022-10-13","22:56:24",""
"7711476","19.133","0.003","12.8402","0.0019","21.624","0.003","90","","94.062","0.011","90","","5299.1","1.4","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C48 H56 Ni4 O24 -","- C48 H56 Ni4 O24 -","- C192 H224 Ni16 O96 -","4","0.5","","Harihar, Shital; Mone, Nishigandha Sanjay; Satpute, Surekha Khandu; Chadar, Dattatray; Chakravarty, Debamitra; Weyhermueller, Thomas; Butcher, R. J.; Salunke-Gawali, Sunita","Metal complexes of pro-vitamin K3 analog phthiocol (2-hydroxy-3-methylnaphthalene-1,4-dione): Synthesis, Characterization and anticancer activity","Dalton Transactions","2022","","","","","10.1039/D2DT02748H","","","0.71073","MoKα","","0.1882","0.0991","","","0.1951","0.2334","","","","","","1.109","","","","has coordinates","278572","2022-10-13","22:58:11",""
"7711657","19.8011","0.0005","10.7352","0.0003","21.1945","0.0006","90","","100.588","0.0013","90","","4428.6","0.2","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C25.5 H20 N3 O3 Re -","- C25.5 H20 N3 O3 Re -","- C204 H160 N24 O24 Re8 -","8","1","","Dubrawski, Zack; Chang, Chia Yun; Carr, Cody; Gelfand, Benjamin Sidney; Piers, Warren","Electrocatalyst decomposition pathways: torsional strain in a second sphere proton relay shuts off CO2RR in a Re(2,2’-bipyridyl)(CO)3X type electrocatalyst","Dalton Transactions","2022","","","","","10.1039/D2DT02876J","","x-ray","1.54178","CuKα","","0.0395","0.036","","","0.0843","0.0866","","","","","","1.064","","","","has coordinates,has disorder","278892","2022-11-01","09:18:20",""
"7711674","24.7989","0.0007","13.3737","0.0003","22.8232","0.0006","90","","117.199","0.004","90","","6732.4","0.4","180","0.1","180","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C60 H114 Co2 K N4 O3 P4 -","- C60 H114 Co2 K N4 O3 P4 -","- C240 H456 Co8 K4 N16 O12 P16 -","4","0.5","","Li, Hai-Jun; Feng, Rui; Wang, Gao-Xiang; Wei, Junnian; Xi, Zhenfeng","Dinitrogen activation by a phosphido-bridged binuclear cobalt complex","Dalton Transactions","2022","","","","","10.1039/D2DT03320H","","x-ray","0.71073","MoKα","","0.0587","0.0482","","","0.1314","0.1375","","","","","","1.052","","","","has coordinates,has disorder","278915","2022-11-02","23:47:35",""
"7711920","23.8868","0.0003","14.9932","0.0002","33.5014","0.0003","90","","103.661","0.001","90","","11658.7","0.2","101","1","100.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","ZrMOP-ben-lantern","","","- C102 H98 Cl2 N2 O22.5 Zr6 -","- C102 H98 Cl2 N2 O22.5 Zr6 -","- C408 H392 Cl8 N8 O90 Zr24 -","4","0.5","","Sullivan, Meghan G.; Sokolow, Gregory E.; Jensen, Eric T.; Crawley, Matthew R.; MacMillan, Samantha N.; Cook, Timothy R.","Altering the solubility of metal-organic polyhedra <i>via</i> pendant functionalization of Cp<sub>3</sub>Zr<sub>3</sub>O(OH)<sub>3</sub> nodes.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","338","346","10.1039/d2dt03401h","","","1.54184","CuKα","","0.0766","0.0678","","","0.1992","0.2098","","","","","","1.054","","","","has coordinates,has disorder","283284","2023-05-05","02:04:19",""
"7712041","14.7154","0.0018","12.7433","0.0012","12.6692","0.0015","90","","99.767","0.011","90","","2341.3","0.5","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H26 Br Cu N6 O8 S2 -","- C16 H26 Br Cu N6 O8 S2 -","- C64 H104 Br4 Cu4 N24 O32 S8 -","4","0.5","","Ramírez-Palma, Lillian G; Castro-Ramírez, Rodrigo; Lozano-Ramos, León; Galindo-Murillo, Rodrigo; Barba-Behrens, Norah; Cortés-Guzmán, Fernando","DNA recognition site of anticancer tinidazole copper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2087","2097","10.1039/d2dt02854a","","","0.71073","MoKα","","0.0565","0.0419","","","0.0896","0.0984","","","","","","1.037","","","","has coordinates","283317","2023-05-05","02:22:53",""
"7712136","26.9934","0.0004","12.7673","0.0001","23.3601","0.0004","90","","115.376","0.002","90","","7273.9","0.2","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C84 H84 N4 O4 P4 Rh2 -","- C84 H84 N4 O4 P4 Rh2 -","- C336 H336 N16 O16 P16 Rh8 -","4","0.5","","Watson, Lachlan J.; Hill, Anthony F.","C-H activation in bimetallic rhodium complexes to afford N-heterocyclic carbene pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","7","2164","2174","10.1039/d2dt03984b","","x-ray","1.54184","CuKα","","0.0309","0.0292","","","0.0757","0.077","","","","","","1.072","","","","has coordinates","283324","2023-05-05","02:27:48",""
"7712164","9.4587","0.0015","11.018","0.0017","30.677","0.005","90","","95.81","0.005","90","","3180.6","0.9","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H44 Ca N2 O8 P2 -","- C28 H44 Ca N2 O8 P2 -","- C112 H176 Ca4 N8 O32 P8 -","4","0.5","","Matharoo, Navneet; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","A rigid calcium 2-ethylhexylphosphate one-dimensional polymer: synthesis, structure, thermal behaviour and decomposition chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2412","2423","10.1039/d2dt03529d","","","0.71073","MoKα","","0.0656","0.047","","","0.1063","0.115","","","","","","1.092","","","","has coordinates,has disorder","283244","2023-05-05","01:45:32",""
"7712166","9.4853","0.0003","11.0551","0.0003","30.9403","0.0012","90","","96.05","0.003","90","","3226.36","0.18","233.15","","233.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H44 Ca N2 O8 P2 -","- C28 H44 Ca N2 O8 P2 -","- C112 H176 Ca4 N8 O32 P8 -","4","0.5","","Matharoo, Navneet; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","A rigid calcium 2-ethylhexylphosphate one-dimensional polymer: synthesis, structure, thermal behaviour and decomposition chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2412","2423","10.1039/d2dt03529d","","","0.71073","MoKα","","0.0783","0.0513","","","0.1252","0.1417","","","","","","1.03","","","","has coordinates,has disorder","283244","2023-05-05","01:45:32",""
"7712167","9.4986","0.0003","11.0652","0.0003","30.9438","0.0013","90","","95.932","0.004","90","","3234.9","0.19","203.15","","203.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H44 Ca N2 O8 P2 -","- C28 H44 Ca N2 O8 P2 -","- C112 H176 Ca4 N8 O32 P8 -","4","0.5","","Matharoo, Navneet; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","A rigid calcium 2-ethylhexylphosphate one-dimensional polymer: synthesis, structure, thermal behaviour and decomposition chemistry.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2412","2423","10.1039/d2dt03529d","","","0.71073","MoKα","","0.0731","0.0496","","","0.1274","0.1433","","","","","","1.037","","","","has coordinates,has disorder","283244","2023-05-05","01:45:32",""
"7712214","26.1551","0.0008","8.803","0.0002","33.6112","0.0009","90","","107.604","0.003","90","","7376.3","0.4","100","0.1","100.15","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C33 H26 Cl2 F6 O6 P2 S2 Sn -","- C33 H26 Cl2 F6 O6 P2 S2 Sn -","- C264 H208 Cl16 F48 O48 P16 S16 Sn8 -","8","1","","Cairns, Kelsey R.; King, Rhys P.; Bannister, Robert D.; Levason, William; Reid, Gillian","Synthesis, spectroscopic and structural properties of Sn(II) and Pb(II) triflate complexes with soft phosphine and arsine coordination.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2293","2308","10.1039/d2dt03687h","","","0.71073","MoKα","","0.0646","0.0497","","","0.1084","0.1126","","","","","","1.138","","","","has coordinates","283245","2023-05-05","01:47:01",""
"7712300","24.8898","0.0012","8.4307","0.0004","25.4214","0.001","90","","100.29","0.004","90","","5248.6","0.4","100","2","100.15","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C40 H44 F12 K2 N4 O10 P2 V2 -","- C40 H44 F12 K2 N4 O10 P2 V2 -","- C160 H176 F48 K8 N16 O40 P8 V8 -","4","0.5","","Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Combined effects of the lewis acidity and electric field of proximal redox innocent metal ions on the redox potential of vanadyl Schiff base complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00024a","","","0.71073","MoKα","","0.0556","0.0485","","","0.1385","0.146","","","","","","1.062","","","","has coordinates,has disorder","280994","2023-02-20","10:03:16",""
"7712490","16.06","0.0014","15.5021","0.0011","18.4978","0.0017","90","","112.814","0.011","90","","4245","0.7","123","2","123.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 Al Cl2 N2 O -","- C23 H21 Al Cl2 N2 O -","- C184 H168 Al8 Cl16 N16 O8 -","8","1","","Dissanayake, Deepamali; Forsyth, Craig M.; Vidovic, Dragoslav","Synthesis, Characterisation and Reactivity studies of Chiral β-Diketiminate-like Supported Aluminium Lewis Acid Complexes Towards Difficult Diels Alder Cycloadditions","Dalton Transactions","2023","","","","","10.1039/D3DT00206C","","","0.71073","MoKα","","0.1066","0.0688","","","0.1395","0.155","","","","","","1.041","","","","has coordinates","281243","2023-03-02","08:43:11",""
"7712505","17.4284","0.0009","9.5427","0.0004","26.2924","0.0016","90","","94.157","0.005","90","","4361.3","0.4","150","0.1","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H26 Co4 O12 Si2 -","- C40 H26 Co4 O12 Si2 -","- C160 H104 Co16 O48 Si8 -","4","0.5","","Hill, Anthony; Frogley, Benjamin","Synthesis and reactivity of 9,10-bis(4-trimethylsilylethynylbuta-1,3-diynyl)anthracene derived chromophores","Dalton Transactions","2023","","","","","10.1039/D3DT00147D","","","1.54184","CuKα","","0.062","0.0463","","","0.1188","0.1289","","","","","","1.023","","","","has coordinates","281296","2023-03-04","08:45:40",""
"7712542","6.96427","0.00016","14.9658","0.0003","21.8956","0.0005","90","","98.197","0.002","90","","2258.77","0.09","99.97","0.1","99.97","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H15 Br2 Cl2 N3 Pd -","- C20 H15 Br2 Cl2 N3 Pd -","- C80 H60 Br8 Cl8 N12 Pd4 -","4","0.5","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","x-ray","0.71073","MoKα","","0.0323","0.0238","","","0.0572","0.0598","","","","","","1.044","","","","has coordinates","281754","2023-03-08","23:54:54",""
"7712544","6.953","0.0003","14.9603","0.0005","22.6625","0.0008","90","","95.962","0.003","90","","2344.58","0.15","99.97","0.1","99.97","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H15 Cl2 F6 N3 Pd -","- C22 H15 Cl2 F6 N3 Pd -","- C88 H60 Cl8 F24 N12 Pd4 -","4","0.5","","Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.","Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt03665g","","x-ray","0.71073","MoKα","","0.0536","0.0381","","","0.118","0.1292","","","","","","1.034","","","","has coordinates,has disorder","281754","2023-03-08","23:54:54",""
"7712563","13.1277","0.0013","19.623","0.003","24.848","0.003","90","","95.728","0.01","90","","6369","1.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H28 Cu F2 N8 O8 -","- C32 H22 Cu F2 N8 O5 -","- C256 H176 Cu8 F16 N64 O40 -","8","1","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, Merve; Ulukaya, Engin","Water-soluble copper(II) 5-fluorouracil complexes bearing polypyridyl co-ligands: Synthesis, structures and anticancer activity","Dalton Transactions","2023","","","","","10.1039/D3DT00363A","","","0.71073","MoKα","","0.1655","0.1103","","","0.264","0.2998","","","","","","1.038","","","","has coordinates","281784","2023-03-09","23:52:46",""
"7712722","18.843","0.0004","12.0101","0.0002","47.2649","0.0008","90","","93.355","0.002","90","","10678","0.3","290","2","290","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C44 H66 Mo2 N4 O12 S3 -","- C44 H66 Mo2 N4 O12 S3 -","- C352 H528 Mo16 N32 O96 S24 -","8","1","","Rana, Lata; Dheeraj, ?; Hundal, Geeta","New bis[<i>cis</i>-{MoO<sub>2</sub>}] complexes with dihydrazone ligands: synthesis, characterization, theoretical investigation and their peroxidase mimicking activity.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00118k","","","0.71073","MoKα","","0.0709","0.0488","","","0.1194","0.1325","","","","","","1.036","","","","has coordinates,has disorder","282357","2023-04-04","22:48:32",""
"7713063","34.9561","0.0007","16.6364","0.0002","44.4145","0.0009","90","","111.673","0.002","90","","24003","0.8","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C85 H153 Cr7 F8 N2 O32 Zn -","- C85 H153 Cr7 F8 N2 O32 Zn -","- C680 H1224 Cr56 F64 N16 O256 Zn8 -","8","1","","Alotaibi, Rajeh; Booth, Amy; Little, Edmund; Brookfield, Adam; Achari, Amritroop; Lockyer, Selena J.; Timco, Grigore A.; Whitehead, George F. S.; Vitórica-Yrezábal, Iñigo J; Chilton, Nicholas F.; Nair, Rahul R.; Collison, David; Winpenny, Richard E. P.","Synthesis and characterization of heterometallic rings templated through alkylammonium or imidazolium cations.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00982c","","x-ray","0.71073","MoKα","","0.0573","0.0423","","","0.095","0.1003","","","","","","1.054","","","","has coordinates,has disorder","283840","2023-05-17","23:02:00",""
"7713170","15.4686","0.0005","9.6881","0.0003","16.6109","0.0005","90","","91.521","0.003","90","","2488.45","0.13","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[MC1mim]2[Ho(NO3)5]","","- C12 H22 Ho N9 O15 -","- C12 H22 Ho N9 O15 -","- C48 H88 Ho4 N36 O60 -","4","0.5","","Wang, Shuang-Long; Yuan, Wen-Li; Zhao, Ying; Cheng, Kun-Lun; Tao, Guo-Hong; He, Ling","Low-melting Multicharge Ionic Liquids with [Ln(NO3)5]2− (Ln = Ho–Lu): Structural, Electrostatic, Thermochemical, and Fluorescence Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00937H","","x-ray","1.54184","CuKα","","0.0524","0.0499","","","0.1276","0.1326","","","","","","1.074","","","","has coordinates","284045","2023-05-27","22:49:58",""
"7713171","16.611","0.0002","9.6805","0.0002","15.5021","0.0003","90","","91.496","0.002","90","","2491.93","0.08","276","2","276","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[MC1mim]2[Er(NO3)5]","","- C12 H22 Er N9 O15 -","- C12 H22 Er N9 O15 -","- C48 H88 Er4 N36 O60 -","4","0.5","","Wang, Shuang-Long; Yuan, Wen-Li; Zhao, Ying; Cheng, Kun-Lun; Tao, Guo-Hong; He, Ling","Low-melting Multicharge Ionic Liquids with [Ln(NO3)5]2− (Ln = Ho–Lu): Structural, Electrostatic, Thermochemical, and Fluorescence Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00937H","","x-ray","1.54184","CuKα","","0.0404","0.0388","","","0.0954","0.0971","","","","","","1.092","","","","has coordinates","284045","2023-05-27","22:49:58",""
"7713172","15.503","0.0006","9.6407","0.0005","16.5976","0.0006","90","","91.417","0.004","90","","2479.91","0.18","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[MC1mim]2[Lu(NO3)5]","","- C12 H22 Lu N9 O15 -","- C12 H22 Lu N9 O15 -","- C48 H88 Lu4 N36 O60 -","4","0.5","","Wang, Shuang-Long; Yuan, Wen-Li; Zhao, Ying; Cheng, Kun-Lun; Tao, Guo-Hong; He, Ling","Low-melting Multicharge Ionic Liquids with [Ln(NO3)5]2− (Ln = Ho–Lu): Structural, Electrostatic, Thermochemical, and Fluorescence Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00937H","","x-ray","1.54184","CuKα","","0.0642","0.0629","","","0.1473","0.1493","","","","","","1.065","","","","has coordinates","284045","2023-05-27","22:49:58",""
"7713173","16.584","0.0003","9.6554","0.0002","15.4983","0.0003","90","","91.416","0.002","90","","2480.91","0.08","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[MC1mim]2[Yb(NO3)5]","","- C12 H22 N9 O15 Yb -","- C12 H22 N9 O15 Yb -","- C48 H88 N36 O60 Yb4 -","4","0.5","","Wang, Shuang-Long; Yuan, Wen-Li; Zhao, Ying; Cheng, Kun-Lun; Tao, Guo-Hong; He, Ling","Low-melting Multicharge Ionic Liquids with [Ln(NO3)5]2− (Ln = Ho–Lu): Structural, Electrostatic, Thermochemical, and Fluorescence Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00937H","","x-ray","1.54184","CuKα","","0.0434","0.0426","","","0.1067","0.1082","","","","","","1.067","","","","has coordinates","284045","2023-05-27","22:49:58",""
"7713174","16.5968","0.0004","9.6698","0.0003","15.4989","0.0004","90","","91.436","0.002","90","","2486.6","0.12","289","16","289","16","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","[MC1mim]2[Tm(NO3)5]","","- C12 H22 N9 O15 Tm -","- C12 H22 N9 O15 Tm -","- C48 H88 N36 O60 Tm4 -","4","0.5","","Wang, Shuang-Long; Yuan, Wen-Li; Zhao, Ying; Cheng, Kun-Lun; Tao, Guo-Hong; He, Ling","Low-melting Multicharge Ionic Liquids with [Ln(NO3)5]2− (Ln = Ho–Lu): Structural, Electrostatic, Thermochemical, and Fluorescence Properties","Dalton Transactions","2023","","","","","10.1039/D3DT00937H","","x-ray","1.54184","CuKα","","0.0509","0.0496","","","0.1334","0.1354","","","","","","1.052","","","","has coordinates","284045","2023-05-27","22:49:58",""
"7713180","16.8518","0.0005","13.7158","0.0004","17.8744","0.0008","90","","103.747","0.001","90","","4013.1","0.2","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","CuCl(dpaSMe)","","- C19.5 H20 Cl2 Cu N3 S -","- C19.5 H20 Cl2 Cu N3 S -","- C156 H160 Cl16 Cu8 N24 S8 -","8","1","","Griffin, Paul Joseph; Dake, Matthew J.; Remolina, Alesandro D.; Olshansky, Lisa","Conformational Dynamicity in a Copper(II) Coordination Complex","Dalton Transactions","2023","","","","","10.1039/D3DT01213A","","","0.71073","MoKα","","0.0243","0.0218","","","0.0556","0.0571","","","","","","1.046","","","","has coordinates","284052","2023-05-29","22:52:15",""
"7713210","23.078","0.005","23.525","0.005","27.05","0.012","90","","106.21","0.03","90","","14102","8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H62 Co3 N7 O17.5 -","- C56 H36 Co3 N4 O12 -","- C448 H288 Co24 N32 O96 -","8","1","","Wang, Shan-Shan; Liang, Yu-Jie; Guo, Wei; Yin, Yue; Li, Xiao-Yu; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","A 2D flexible cobalt-MOF: reversible solid-state structural transformation, two-step and gate-opening adsorption behaviour and selective adsorption of C2H2 over CO2 and CH4","Dalton Transactions","2023","","","","","10.1039/D3DT00478C","","","0.71073","MoKα","","0.1104","0.0913","","","0.2501","0.2649","","","","","","1.048","","","","has coordinates,has disorder","284080","2023-05-30","23:00:54",""
"7713211","22.3119","0.0018","24.2649","0.0011","22.5563","0.0015","90","","103.654","0.006","90","","11866.8","1.4","301","2","301","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H36 Co3 N4 O12 -","- C56 H36 Co3 N4 O12 -","- C448 H288 Co24 N32 O96 -","8","1","","Wang, Shan-Shan; Liang, Yu-Jie; Guo, Wei; Yin, Yue; Li, Xiao-Yu; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","A 2D flexible cobalt-MOF: reversible solid-state structural transformation, two-step and gate-opening adsorption behaviour and selective adsorption of C2H2 over CO2 and CH4","Dalton Transactions","2023","","","","","10.1039/D3DT00478C","","","1.54178","CuKα","","0.2276","0.2126","","","0.4746","0.4801","","","","","","1.079","","","","has coordinates,has disorder","284080","2023-05-30","23:00:54",""
"7713365","42.9654","0.0002","33.9313","0.0002","15.7798","0.0001","90","","96.768","0.001","90","","22844.6","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C92 H68 F6 Ir2 N16 P -","- C92 H68 F6 Ir2 N16 P -","- C736 H544 F48 Ir16 N128 P8 -","8","1","","Gitlina, Anastasia Yu; Khistiaeva, Viktoria; Melnikov, Alexey; Ivonina, Mariia; Sizov, Vladimir; Spiridonova, Dar'ya; Makarova, Anna; Vyalikh, Denis; Grachova, Elena","Organometallic Ir(III) complexes: post-synthetic modification, photophysical properties and binuclear complex construction.","Dalton transactions (Cambridge, England : 2003)","2023","52","26","8986","8997","10.1039/d3dt00901g","","x-ray","1.54184","CuKα","","0.0359","0.0344","","","0.0947","0.0964","","","","","","1.046","","","","has coordinates,has disorder","284787","2023-07-04","23:00:03",""
"7713379","11.4097","0.0008","10.5099","0.0006","12.2374","0.001","90","","117.109","0.01","90","","1306.2","0.2","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C3.5 H5.5 Cu N2 O1.5 S -","- C3.5 H5.5 Cu N2 O1.5 S -","- C28 H44 Cu8 N16 O12 S8 -","8","1","","Debnath, Ananya; Diyali, Sangharaj; Das, Mainak; Panda, Subhra Jyoti; Mondal, Debasish; Dhak, Debasis; Purohit, Chandra Shekhar; Ray, Partha Pratim; Biswas, Bhaskar","Harnessing the hydrogen evolution reaction (HER) through the electrical mobility of an embossed Ag(I)-molecular cage and a Cu(II)-coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2023","52","26","8850","8856","10.1039/d3dt01073b","","x-ray","0.71073","MoKα","","0.0495","0.0386","","","0.093","0.0993","","","","","","1.029","","","","has coordinates,has disorder","284791","2023-07-04","23:04:25",""
"7713431","19.0312","0.0006","15.6836","0.0005","24.342","0.0006","90","","110.365","0.003","90","","6811.4","0.4","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C39 H35 N5 O6 -","- C39 H35 N5 O6 -","- C312 H280 N40 O48 -","8","1","","Hoque, Anamika; Islam, Md Sanaul; Khan, Samim; Datta, Basudeb; Zangrando, Ennio; Kole, Goutam Kumar; Alam, Md Akhtarul","Crystallographic elucidation of an aluminium-bound amido Schiff base chemosensor: a selective turn-on fluorescent chemosensor for Al<sup>3+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01512b","","","0.71073","MoKα","","0.0801","0.0569","","","0.1355","0.1553","","","","","","1.05","","","","has coordinates","285163","2023-07-11","23:06:51",""
"7713454","17.417","0.002","11.2309","0.0014","20.539","0.004","90","","94.769","0.001","90","","4003.7","1","296.15","","296.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ir(phpyr)2tmd","","- C49 H43 Ir N2 O2 -","- C49 H43 Ir N2 O2 -","- C196 H172 Ir4 N8 O8 -","4","0.5","","Liu, Sen; Wang, Mengyun; Hou, Tianjiao; Shen, Xuan","Unprecedented hetero-coordinated Ir(C^N)2tmd complexes containing both five- and six-membered Ir-(C^N) rings based on phenanthrylpyridine ligands: Syntheses, crystal structures and photophysical properties","Dalton Transactions","2023","","","","","10.1039/D3DT01809A","","","0.71073","MoKα","","0.0285","0.0234","","","0.0544","0.0566","","","","","","1.059","","","","has coordinates,has disorder","285190","2023-07-12","23:08:18",""
"7713670","23.4053","0.0015","14.7639","0.0008","22.8746","0.0016","90","","97.788","0.006","90","","7831.5","0.9","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C38 H22 Br2 Cl4 Cu N9 O2 -","- C38 H22 Br2 Cl4 Cu N9 O2 -","- C304 H176 Br16 Cl32 Cu8 N72 O16 -","8","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","x-ray","0.71073","MoKα","","0.0946","0.0477","","","0.1038","0.1327","","","","","","0.992","","","","has coordinates,has disorder","285588","2023-08-08","22:52:52",""
"7713675","22.763","0.003","15.0213","0.0012","23.524","0.003","90","","98.088","0.011","90","","7963.5","1.6","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H22 Br6 Cu N9 O2 -","- C38 H22 Br6 Cu N9 O2 -","- C304 H176 Br48 Cu8 N72 O16 -","8","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","","0.71073","MoKα","","0.284","0.085","","","0.1289","0.2035","","","","","","0.972","","","","has coordinates","285588","2023-08-08","22:52:53",""
"7713676","12.9685","0.0017","14.0639","0.0016","39.685","0.004","90","","95.558","0.01","90","","7204","1.5","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H20 Cl6 Cu N8 O2 -","- C36 H20 Cl6 Cu N8 O2 -","- C288 H160 Cl48 Cu8 N64 O16 -","8","1","","Chen, Yating; Ke, zhilin; Yuan, Lingyu; Liang, Meixiang; Zhang, Shuhua","Hydrazylpyridine salicylaldehyde-copper(II)-1,10-phenanthroline complexes as potential anticancer agents: synthesis, characterization and anticancer evaluation","Dalton Transactions","2023","","","","","10.1039/D3DT01750H","","x-ray","0.71073","MoKα","","0.1657","0.0672","","","0.1007","0.1404","","","","","","0.971","","","","has coordinates","285588","2023-08-08","22:52:53",""
"7713925","20.9197","0.0003","13.80583","0.00017","34.4091","0.0006","90","","90.7607","0.0014","90","","9936.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C41 H46 B Br Cl3 N8 O2 Pt W -","- C38 H45 B Br N8 O2 Pt W -","- C304 H360 B8 Br8 N64 O16 Pt8 W8 -","8","1","","Hill, Anthony; Burt, Liam K.","Isonitrile μ2-Carbido Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02649C","","x-ray","1.54184","CuKα","","0.0427","0.0341","","","0.0802","0.0865","","","","","","1.04","","","","has coordinates","286308","2023-09-12","22:55:27",""
"7713966","17.0001","0.0003","19.0388","0.0003","30.0601","0.0005","90","","103.092","0.0016","90","","9476.4","0.3","93","","93","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C82 H112 Cl6 Mo2 N2 P4 -","- C82 H112 Cl6 Mo2 N2 P4 -","- C328 H448 Cl24 Mo8 N8 P16 -","4","0.5","","Eizawa, Aya; Arashiba, Kazuya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Design, synthesis and reactivity of dimolybdenum complex bearing quaterphenylene-bridged pyridine-based PNP-type pincer ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02887A","","","0.71073","MoKα","","0.0557","0.0405","","","0.1092","0.1139","","","","","","1.037","","","","has coordinates","286363","2023-09-15","22:55:59",""
"7713967","17.932","0.0004","19.0778","0.0004","30.6795","0.0008","90","","105.233","0.002","90","","10126.8","0.4","93","","93","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C82 H128 I6 Mo2 N2 P4 -","- C82 H128 I6 Mo2 N2 P4 -","- C328 H512 I24 Mo8 N8 P16 -","4","0.5","","Eizawa, Aya; Arashiba, Kazuya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Design, synthesis and reactivity of dimolybdenum complex bearing quaterphenylene-bridged pyridine-based PNP-type pincer ligand","Dalton Transactions","2023","","","","","10.1039/D3DT02887A","","","0.71073","MoKα","","0.12","0.0683","","","0.1672","0.1911","","","","","","1.003","","","","has coordinates","286363","2023-09-15","22:56:00",""
"7714029","8.3095","0.0008","15.1037","0.0011","15.3202","0.0012","90","","92.18","0.006","90","","1921.4","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H11 N O4 Zn -","- C19 H11 N O4 Zn -","- C76 H44 N4 O16 Zn4 -","4","0.5","","Lin, Wenxin; Wang, Yijia; Zhang, Haoke; Shan, Kei Hoi; Si, Panpan; Yu, Shijiang; Wang, Zhen; Zhao, Dian; Gao, Junkuo; Wu, Minghua; Tang, Ben Zhong","Differential Fluorescent Response to Amino Acids based on Metal-Organic Framework Zn-PBC","Dalton Transactions","2023","","","","","10.1039/D3DT02522E","","","0.71073","MoKα","","0.0432","0.0306","","","0.0773","0.0819","","","","","","1.035","","","","has coordinates","286547","2023-09-26","23:06:15",""
"7714056","28.3238","0.0002","8.8378","0.0001","44.5941","0.0003","90","","99.493","0.001","90","","11009.9","0.17","100","0.1","100","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C64 H70 P2 Ru -","- C64 H70 P2 Ru -","- C512 H560 P16 Ru8 -","8","1","","Gillespie, Angus A.; Roemer, Max; Jago, David; Sobolev, Alexandre N.; Nealon, Gareth L.; Spackman, Peter R.; Moggach, Stephen A.; Koutsantonis, George","Functionalised organometallic photoswitches containing dihydropyrene units","Dalton Transactions","2023","","","","","10.1039/D3DT02505E","","x-ray","1.54184","CuKα","","0.0357","0.0346","","","0.0927","0.0934","","","","","","1.09","","","","has coordinates,has disorder","286599","2023-09-28","22:59:54",""
"7714231","17.1743","0.0003","13.7314","0.0002","18.0806","0.0003","90","","114.029","0.002","90","","3894.39","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H72 Mo2 N2 O7 -","- C32 H72 Mo2 N2 O7 -","- C128 H288 Mo8 N8 O28 -","4","0.5","","Ma, Howard Z.; Canty, Allan J.; O'Hair, Richard A J","Liberation of carbon monoxide from formic acid mediated by molybdenum oxyanions.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01983g","","x-ray","0.71073","MoKα","","0.0388","0.0295","","","0.0673","0.0702","","","","","","1.061","","","","has coordinates","286993","2023-10-16","22:55:58",""
"7714364","21.8726","0.0008","16.5014","0.0003","25.3097","0.0007","90","","114.994","0.004","90","","8279.5","0.5","150","0.2","150","0.2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C79 H124 B2 Ge2 Li2 N8 -","- C79 H124 B2 Ge2 Li2 N8 -","- C316 H496 B8 Ge8 Li8 N32 -","4","0.5","","Zheng, Xiongfei; Crumpton, Agamemnon; Ellwanger, Mathias; Aldridge, Simon","A planar per-borylated digermene","Dalton Transactions","2023","","","","","10.1039/D3DT03416J","","x-ray","1.54184","CuKα","","0.0685","0.0469","","","0.1114","0.1248","","","","","","1.018","","","","has coordinates,has disorder","287233","2023-11-02","00:01:43",""
"7714494","24.594","0.005","9.933","0.002","28.552","0.009","90","","94.19","0.006","90","","6956","3","143","2","143","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C84 H84 N4 Ni2 O P4 -","- C84 H84 N4 Ni2 O P4 -","- C336 H336 N16 Ni8 O4 P16 -","4","0.5","","Mani, Ganesan; Gupta, Rohit; Kumar, Ashok","Dipyrromethane-Diphosphine: The effect of meso substituents on the formation of nickel complexes and on their performance in the transfer hydrogenation of ketones","Dalton Transactions","2023","","","","","10.1039/D3DT03163B","","","0.71073","MoKα","","0.0351","0.0302","","","0.0767","0.0802","","","","","","1.04","","","","has coordinates","287663","2023-11-17","00:05:30",""
"7714695","10.5123","0.0003","10.6991","0.0003","22.8903","0.0007","90","","99.837","0.003","90","","2536.67","0.13","123","2","123.15","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Galvinoxyl","","- C29 H41 O2 -","- C29 H41 O2 -","- C116 H164 O8 -","4","0.5","","Suizu, Rie; Shuku, Yoshiaki; Robert, Vincent; Roseiro, Pablo; Ben Amor, Nadia; Khawar, Zain; Robertson, Neil; Awaga, Kunio","X-ray crystallographic analysis of the antiferromagnetic low-temperature phase of galvinoxyl: investigating magnetic duality in organic radicals.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","1961","1965","10.1039/d3dt03601d","","x-ray","0.71073","MoKα","","0.0516","0.0463","","","0.1289","0.1333","","","","","","1.058","","","","has coordinates","289477","2024-02-04","11:48:30",""
"7714843","22.9521","0.0016","16.3988","0.0009","25.3602","0.001","90","","107.262","0.002","90","","9115.3","0.9","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C65 H102 N4 O3 P4 Ru2 -","- C65 H102 N4 O3 P4 Ru2 -","- C260 H408 N16 O12 P16 Ru8 -","4","0.5","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","","1.54178","CuKα","","0.0881","0.0767","","","0.2045","0.2204","","","","","","1.067","","","","has coordinates,has disorder","289496","2024-02-04","11:55:29",""
"7714875","16.6643","0.0003","7.0449","0.0001","29.6513","0.0006","90","","102.168","0.002","90","","3402.81","0.11","159.99","0.1","159.99","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Tc(CO)3Cl(terPy)]","","","- C18 H11 Cl N3 O3 Tc -","- C18 H11 Cl N3 O3 Tc -","- C144 H88 Cl8 N24 O24 Tc8 -","8","1","","Besmer, Manuel Luca; Schwitter, Flurina; Battistin, Federica; Braband, Henrik; Fox, Thomas; Spingler, Bernhard; Alberto, Roger","Induced <i>fac</i>-<i>mer</i> rearrangements in {M(CO)<sub>3</sub>}<sup>+</sup> complexes (M = Re, <sup>99(m)</sup>Tc) by a PNP ligand.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1434","1438","10.1039/d3dt03992g","","x-ray","0.71073","MoKα","","0.0204","0.019","","","0.0473","0.0479","","","","","","1.069","","","","has coordinates","289501","2024-02-04","11:56:33",""
"7715075","20.5322","0.0006","7.197","0.0002","23.6579","0.001","90","","106.964","0.001","90","","3343.8","0.2","300","2","300","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H52 B20 N2 S2 -","- C16 H52 B20 N2 S2 -","- C64 H208 B80 N8 S8 -","4","0.5","","Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.","Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4444","4450","10.1039/d3dt04289h","","x-ray","0.71073","MoKα","","0.0504","0.0393","","","0.1064","0.1131","","","","","","1.075","","","","has coordinates,has disorder","290924","2024-04-04","23:21:27",""
"7715080","17.0141","0.0004","14.1126","0.0003","30.8701","0.0008","90","","105.711","0.003","90","","7135.4","0.3","175","4","175","4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H18 Ga N3 S6 -","- C9 H18 Ga N3 S6 -","- C144 H288 Ga16 N48 S96 -","16","2","","Salvarese, Nicola; Morellato, Nicolò; Gobbi, Carolina; Gandin, Valentina; De Franco, Michele; Marzano, Cristina; Dolmella, Alessandro; Bolzati, Cristina","Synthesis, characterization and <i>in vitro</i> cytotoxicity of gallium(III)-dithiocarbamate complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4526","4543","10.1039/d3dt03552b","","","0.71073","MoKα","","0.0579","0.0356","","","0.0729","0.0801","","","","","","1.006","","","","has coordinates,has disorder","290919","2024-04-04","23:18:38",""
"7715229","12.7837","0.0001","12.1439","0.0001","17.1982","0.0001","90","","95.899","0.001","90","","2655.78","0.03","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H36 B2 N8 Ni -","- C22 H36 B2 N8 Ni -","- C88 H144 B8 N32 Ni4 -","4","0.5","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0277","0.0276","","","0.0711","0.0711","","","","","","1.05","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715247","27.3971","0.0004","25.3293","0.0003","24.4731","0.0003","90","","99.932","0.001","90","","16728.6","0.4","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C82 H102 Si6 -","- C61 H81 Si6 -","- C488 H648 Si48 -","8","1","","Franke, Maurice; Klingsiek, Maximilian J.; Buth, Julian; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hexadentate poly-Lewis acids based on the bowl-shaped tribenzotriquinacene","Dalton Transactions","2024","","","","","10.1039/D4DT00379A","","x-ray","1.54184","CuKα","","0.1033","0.0979","","","0.288","0.2938","","","","","","1.046","","","","has coordinates,has disorder","289970","2024-02-28","00:04:03",""
"7715295","10.72484","0.00018","15.12621","0.00019","26.3385","0.0004","90","","96.9831","0.0015","90","","4241.1","0.11","150","2","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C54 H54 O2 Rh2 -","- C54 H54 O2 Rh2 -","- C216 H216 O8 Rh8 -","4","0.5","","Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich","Twinned <i>versus</i> linked organometallics - bimetallic ""half-baguette"" pentalenide complexes of Rh(I).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5881","5899","10.1039/d3dt04325h","","x-ray","1.54184","CuKα","","0.0897","0.0893","","","0.2285","0.2288","","","","","","1.147","","","","has coordinates,has disorder","290929","2024-04-04","23:23:20",""
"7715331","27.68761","0.00013","50.6972","0.0003","30.80194","0.00017","90","","104.644","0.0005","90","","41831.7","0.4","99.99","0.1","99.99","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C187.75 H171.75 F24 La2 N43.25 O27 S8 Zn -","- C187.75 H171.75 F24 La2 N43.25 O27 S8 Zn -","- C1502 H1374 F192 La16 N346 O216 S64 Zn8 -","8","1","","Egger, Charlotte; Guénée, Laure; Deorukhkar, Neel; Piguet, Claude","Programming heterometallic 4f-4f' helicates under thermodynamic control: the circle is complete.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","6050","6062","10.1039/d4dt00610k","","x-ray","1.54184","CuKα","","0.0722","0.0669","","","0.1996","0.2058","","","","","","1.048","","","","has coordinates,has disorder","290944","2024-04-04","23:27:41",""
"7715371","16.7984","0.0009","11.7252","0.0005","20.9895","0.0009","90","","104.505","0.005","90","","4002.4","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H23 Al N2 -","- C23 H23 Al N2 -","- C184 H184 Al8 N16 -","8","1","","Wei, Biao; Wang, Chaoqun; Miao, Hui; Qin, Zhibiao; Huang, Mengna; Xu, Yan; Xue, Wenhui; Yang, Shucheng; Liu, Chenxu; Bai, Cuibing; Chen, Zheng","Novel bidentate <i>N</i>-coordinated alkylaluminum complexes: synthesis, characterization, and efficient catalysis for hydrophosphonylation.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","4185","4193","10.1039/d3dt04087a","","x-ray","0.71073","MoKα","","0.1131","0.0579","","","0.151","0.1775","","","","","","0.972","","","","has coordinates","290063","2024-03-04","06:42:31",""
"7715388","17.5752","0.0003","10.5232","0.0002","38.6355","0.0008","90","","98.272","0.002","90","","7071.2","0.2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C35 H52 Al2 N4 -","- C35 H52 Al2 N4 -","- C280 H416 Al16 N32 -","8","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0654","0.0545","","","0.1298","0.1359","","","","","","1.073","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715417","19.6676","0.0009","17.5879","0.0008","23.6719","0.0017","90","","101.008","0.002","90","","8037.7","0.8","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Ni2(L3)2","","- C88 H108 Cl4 N4 Ni2 O4 -","- C88 H108 Cl4 N4 Ni2 O4 -","- C352 H432 Cl16 N16 Ni8 O16 -","4","0.5","","Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M","Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5676","5685","10.1039/d4dt00279b","","x-ray","0.7107","MoKα","","0.0749","0.0457","","","0.1091","0.1231","","","","","","1.02","","","","has coordinates","290988","2024-04-04","23:39:37",""
"7715421","19.7738","0.0018","17.4199","0.001","23.6472","0.0011","90","","100.801","0.001","90","","8001.2","0.9","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Cu2(L3)2","","- C90 H110 Cu2 N6 O4 -","- C90 H110 Cu2 N6 O4 -","- C360 H440 Cu8 N24 O16 -","4","0.5","","Fernández-Fariña, Sandra; Maneiro, Marcelino; Zaragoza, Guillermo; Seco, José M; Pedrido, Rosa; González-Noya, Ana M","Nickel, copper, and zinc dinuclear helicates: how do bulky groups influence their architecture?","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5676","5685","10.1039/d4dt00279b","","x-ray","0.71073","MoKα","","0.067","0.0513","","","0.0934","0.0994","","","","","","1.093","","","","has coordinates","290988","2024-04-04","23:39:37",""
"7715511","26.215","0.0011","7.9077","0.0003","31.5526","0.0017","90","","113.318","0.006","90","","6006.6","0.5","291","2","291","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H26 Ba N4 O12 S2 -","- C26 H26 Ba N4 O12 S2 -","- C208 H208 Ba8 N32 O96 S16 -","8","1","","Rybczyńska, Małgorzata; Sikorski, Artur","Structural insight and <i>in silico</i> prediction of the pharmacokinetic parameters and toxicity of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6501","6506","10.1039/d4dt00446a","","","0.71073","MoKα","","0.0521","0.0358","","","0.0682","0.0734","","","","","","1.02","","","","has coordinates","291642","2024-05-05","03:03:44",""
"7715605","20.5797","0.0004","7.4688","0.0002","31.9583","0.0009","90","","108.275","0.003","90","","4664.4","0.2","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H30 N Nb O5 -","- C24 H30 N Nb O5 -","- C192 H240 N8 Nb8 O40 -","8","1","","Peprah, Frank; Tarantola, Grace E.; Plaman, Alyson S.; Vu, Emily L.; Huynh, Alyssa B.; Durr, Christopher B.","Synthesis and catalytic activity of single-site group V alkoxide complexes for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7073","7080","10.1039/d4dt00422a","","x-ray","1.54184","CuKα","","0.0799","0.0631","","","0.1602","0.1723","","","","","","1.01","","","","has coordinates","291629","2024-05-05","02:52:58",""
"7715652","26.5914","0.0004","15.6226","0.0002","19.9575","0.0003","90","","98.408","0.001","90","","8201.8","0.2","100.15","","100.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C37 H50 K2 Ni O7 -","- C37 H50 K2 Ni O7 -","- C296 H400 K16 Ni8 O56 -","8","1","","Borys, Andryj M.; Vedani, Luca; Hevia, Eva","The coordination of alkali-metal nickelates to organic π-systems: Synthetic, structural and spectroscopic insights","Dalton Transactions","2024","","","","","10.1039/D4DT00889H","","x-ray","0.71073","MoKα","","0.046","0.037","","","0.0933","0.097","","","","","","1.036","","","","has coordinates,has disorder","290766","2024-04-03","22:58:39",""
"7715773","14.22709","0.00018","15.98244","0.00015","23.7578","0.0002","90","","100.083","0.0011","90","","5318.7","0.1","99.94","0.15","99.94","0.15","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H22 B N -","- C14 H22 B N -","- C224 H352 B16 N16 -","16","2","","Beckmann, Jean Louis; Neumann, Beate; Stammler, Georg; Lamm, Jan-Hendrik; Mitzel, Norbert Werner","Bidentate Boron Lewis Acids: Synthesis by Tin Boron Exchange Reaction and Host-Guest Complex Formation","Dalton Transactions","2024","","","","","10.1039/D4DT00782D","","x-ray","1.54184","CuKα","","0.0404","0.0362","","","0.0903","0.0942","","","","","","1.033","","","","has coordinates","291268","2024-04-17","22:57:24",""
"7715783","33.8407","0.0003","11.2636","0.0001","36.7134","0.0004","90","","95.286","0.001","90","","13934.5","0.2","233","","233","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C144 H196 Ce N17 O16 -","- C144.008 H196.018 Ce N17 O16 -","- C576.032 H784.072 Ce4 N68 O64 -","4","0.5","","Katoh, Keiichi; Kobayashi, Kana; Suzuki, Michiyuki; Sato, Tetsu; Horii, Yoji; Yoshida, Takefumi; Breedlove, Brian. K.; Yamashita, Masahiro","Spin Dynamics Phenomena of a Cerium(III) Double-Decker Complex Induced by Intramolecular Electron Transfer","Dalton Transactions","2024","","","","","10.1039/D4DT00436A","","","0.71073","MoKα","","0.041","0.0368","","","0.0957","0.0987","","","","","","1.079","","","","has coordinates,has disorder","291277","2024-04-18","23:05:15",""
"7715966","28.5608","0.0014","9.7959","0.0004","18.4297","0.0008","90","","99.998","0.004","90","","5077.9","0.4","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H33 Cl Cu P2 S -","- C25 H33 Cl Cu P2 S -","- C200 H264 Cl8 Cu8 P16 S8 -","8","1","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz","From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond","Dalton Transactions","2024","","","","","10.1039/D4DT00987H","","x-ray","0.71073","MoKα","","0.1234","0.0617","","","0.1444","0.1695","","","","","","1.025","","","","has coordinates","291764","2024-05-07","22:58:24",""
"7715967","17.2149","0.0013","9.9874","0.0006","29.208","0.002","90","","105.951","0.006","90","","4828.4","0.6","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H33 Cl Cu P2 S -","- C23 H33 Cl Cu P2 S -","- C184 H264 Cl8 Cu8 P16 S8 -","8","1","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz","From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond","Dalton Transactions","2024","","","","","10.1039/D4DT00987H","","x-ray","0.71073","MoKα","","0.1818","0.0767","","","0.1792","0.2257","","","","","","1.039","","","","has coordinates,has disorder","291764","2024-05-07","22:58:25",""
"7715969","29.1911","0.0018","9.7656","0.0004","18.4336","0.0012","90","","98.632","0.005","90","","5195.3","0.5","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H33 Ag Cl P2 S -","- C25 H33 Ag Cl P2 S -","- C200 H264 Ag8 Cl8 P16 S8 -","8","1","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz","From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond","Dalton Transactions","2024","","","","","10.1039/D4DT00987H","","x-ray","0.71073","MoKα","","0.1439","0.0644","","","0.1567","0.193","","","","","","1.032","","","","has coordinates","291764","2024-05-07","22:58:25",""
"7715971","29.324","0.003","9.7516","0.0006","18.3994","0.0014","90","","98.631","0.007","90","","5201.8","0.7","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H33 Ag Cl P2 S -","- C25 H33 Ag Cl P2 S -","- C200 H264 Ag8 Cl8 P16 S8 -","8","1","","Ziółkowska, Aleksandra; Prześniak-Welenc, Marta; Kruczyński, Tomasz; Gamer, Michael T.; Ponikiewski, Łukasz","From phosphanylphosphaalkene to coordination copper and silver polymers containing P-P bond","Dalton Transactions","2024","","","","","10.1039/D4DT00987H","","x-ray","0.71073","MoKα","","0.2291","0.0743","","","0.1436","0.1964","","","","","","1.006","","","","has coordinates","291764","2024-05-07","22:58:25",""
"7716037","17.852","0.005","18.543","0.004","16.781","0.005","90","","116.8","0.02","90","","4958","2","296","2","296","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C22 H30 Cl2 N4 O Ru S -","- C22 H30 Cl2 N4 O Ru S -","- C176 H240 Cl16 N32 O8 Ru8 S8 -","8","1","","Kılınçarslan, Rafet; Tuncer, Hayriye; Özdemir, Namık; Çetinkaya, Bekir","Vitamin B1-based thiazol-2-ylidene–Ru(ii) complexes: recyclable transfer hydrogenation catalysts in water","Dalton Transactions","2024","","","","","10.1039/D4DT00445K","","","0.71073","MoKα","","0.0718","0.033","","","0.0598","0.0664","","","","","","0.845","","","","has coordinates,has disorder","291851","2024-05-14","22:59:32",""
"8000173","9.352","0.005","15.145","0.005","26.961","0.005","90","","54.24","0.005","90","","3099","2","153","2","153","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C31 H29 Cl3 Co N4 O4 -","- C31 H29 Cl3 Co N4 O4 -","- C124 H116 Cl12 Co4 N16 O16 -","4","0.5","","Yoshida, Jun; Nishikiori, Shin-ichi; Kuroda, Reiko","Construction of Supramolecular Complexes by Use of Planar Bis(β-diketonato)cobalt(II) Complexes as Building Blocks","Chemistry Letters","2007","36","5","678","","10.1246/cl.2007.678","","x-ray","0.71069","MoKα","","","0.0554","","","","0.1691","","","","","","0.829","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8100225","5.0342","0.0014","10.7683","0.0023","5.1084","0.0014","90","","90.957","0.02","90","","276.885","","298","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","powellite","","","- Ca Mo O4 -","- Ca Mo O4 -","- Ca4 Mo4 O16 -","4","0.5","","Crichton, Wilson A.; Grzechnik, Andrzej","Crystal structure of calcium molybdate, CaMoO~4~, a scheelite-type to fergusonite-type transition in powellite at P 15 GPa","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","337","338","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","200408","2020-10-21","18:00:00",""
"8100526","24.359","0.003","6.9025","0.0006","19.369","0.003","90","","99.76","0.01","90","","3209.6","0.7","193","2","193","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C20 H27 Br O -","- C20 H27 Br O -","- C160 H216 Br8 O8 -","8","1","","Wattenbach, Carsten; Lenoir, Dieter; Chiappe, Cinzia; Müller, Ulrich","Crystal structure of 2,4'-oxa-2'-bromo-2,2'-bisadamantane, C~20~H~27~BrO","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","119","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8100994","13.206","0.003","9.37","0.002","33.354","0.008","90","","97.95","0.03","90","","4087.6","1.6","300","2","300","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","bis(trimipraminium) tetrachlorocuprate","","","- C20 H27 Cl2 Cu0.5 N2 -","- C20 H27 Cl2 Cu0.5 N2 -","- C160 H216 Cl16 Cu4 N16 -","8","1","","Kamel, L. T.; El Essawi, M.; Wartchow, R.; Berthold, H. J.","Crystal structure of bis[(10,11-dihydro-dibenzo[b,f]azepin-5-yl)-2- methyl-propyl-dimethyl-ammonium] tetrachlorocuprate(II), (C~20~H~27~N~2~)~2~[CuCl~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","359","360","","","","","","","","0.0757","","","0.0784","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101273","18.177","0.004","12.304","0.002","20.595","0.004","90","","90.31","0.03","90","","4606","1.5","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","trilithium citrate tetrahydrate","","","- C6 H13 Li3 O11 -","- C6 H13 Li3 O11 -","- C96 H208 Li48 O176 -","16","2","","Schreuer, Jürgen; Haussühl, Siegfried","The pseudo-orthorhomic crystal structure of monoclinic trilithium citrate tetrahydrate, Li~3~HOC(COO)(CH~2~COO)~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","369","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101670","5.6954","0.0004","5.6476","0.0008","18.573","0.002","90","","91.523","0.0008","90","","597.19","0.11","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Bi12 Cl4 O16 -","- Bi3 Cl O4 -","- Bi12 Cl4 O16 -","4","0.5","","Eggenweiler, U.; Keller, E.; Krämer, V.; Meyer, C.A.; Ketterer, J.","Crystal structure of tribismuth tetraoxide chloride, Bi~3~O~4~Cl","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","695","695","","","","","","","","0.0494","","","0.1091","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101963","23.82","0.005","9.166","0.003","26.778","0.006","90","","95.579","0.017","90","","5819","3","290","2","290","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","N,N'-bis(4-nitrophenyl)-1,4-naphthalenedicarboxamide bis(dimethylsulfoxide) solvate","","- C28 H28 N4 O8 S2 -","- C28 H28 N4 O8 S2 -","- C224 H224 N32 O64 S16 -","8","1","","Jing, L.-H.; Qin, D.-B.; Gu, S.-J.; Zhang, H.-X.; Mao, Z.-H.","Crystal structure of N,N'-bis(4-nitrophenyl)-1,4-naphthalene-dicarboxamide bis(dimethylsulfoxide) solvate, C~24~H~16~N~4~O~6~ · 2C~2~H~6~OS","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","200","202","","","","0.71073","MoKα","","0.2653","0.0694","","","0.1341","0.1757","","","","","","0.86","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103753","10.4906","","10.3762","","24.5349","","90","","91.217","","90","","2670.08","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Na2 Ca2 (Si2 O7)","","- Ca2 Na2 O7 Si2 -","- Ca2 Na2 O7 Si2 -","- Ca32 Na32 O112 Si32 -","16","2","","Kahlenberg, V.; Hooesch, A.","The crystal structure of Na2 Ca2 Si2 O7 - a mixed anion silicate with defect perovskite characteristics","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","155","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103804","12.731","","7.321","","17.827","","90","","100.85","","90","","1631.84","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Na0.667 K1.333 (Si2 O5)","","- K1.333 Na0.667 O5 Si2 -","- K1.33333 Na0.666667 O5 Si2 -","- K16 Na8 O60 Si24 -","12","1.5","","Rakic, S.; Schmidt, B.C.; Kahlenberg, V.","High pressure mixed alkali disilicates in the system Na2-x Kx Si2 O5: hydrothermal synthesis and crystal structures of Na K Si2 O5 - II and Na0.67 K1.33 Si2 O5","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","413","420","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"8103811","12.035","","9.549","","19.839","","90","","94.99","","90","","2271.3","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","K2 Mn (S O4)2 (H2 O)4","","- H8 K2 Mn O12 S2 -","- H8 K2 Mn O12 S2 -","- H64 K16 Mn8 O96 S16 -","8","1","","Hertweck, B.; Schultz, A.J.; Libowitzky, E.","The hydrogen bond system of Mn-leonite: neutron diffraction results in comparison with IR spectroscopic data","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","403","412","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104754","9.0331","0.0009","13.4475","0.0014","27.586","0.003","90","","94.879","0.009","90","","3338.8","0.6","290","2","290","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 H14 Br2 N2 -","- C8 H14 Br2 N2 -","- C96 H168 Br24 N24 -","12","1.5","","Brandt, Niklas; Reiss, Guido J.","The twinned crystal structure of 1,3-phenylenedimethanaminium dibromide, C8H14Br2N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","519","521","10.1515/ncrs-2020-0618","","","0.71073","MoKα","","0.1025","0.0582","","","0.0849","0.0885","","","","","","1.565","","","","has coordinates","273691","2022-03-15","09:39:13",""
"8104807","8.7694","0.0005","9.6963","0.0006","14.8577","0.0009","90","","98.266","0.003","90","","1250.24","0.13","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","3-chloropropylammonium chloride","3-chloropropylammonium chloride","","- C3 H9 Cl2 N -","- C3 H9 Cl2 N -","- C24 H72 Cl16 N8 -","8","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","285","286","10.1515/ncrs-2020-0527","","","0.71073","MoKα","","0.0205","0.0193","","","0.0501","0.0511","","","","","","1.072","","","","has coordinates","273807","2022-03-18","10:28:38",""
"8104808","13.2374","0.0012","8.2108","0.0006","14.0114","0.0014","90","","93.294","0.008","90","","1520.4","0.2","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","1-chloro-2-(dimethylamino)ethane hydrochloride","1-chloro-2-(dimethylamino)ethane hydrochloride","","- C4 H11 Cl2 N -","- C4 H11 Cl2 N -","- C32 H88 Cl16 N8 -","8","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","287","289","10.1515/ncrs-2020-0520","","","0.71073","MoKα","","0.0476","0.0398","","","0.1099","0.1174","","","","","","1.075","","","","has coordinates,has disorder","273809","2022-03-18","10:33:13",""
"8104875","7.2407","0.0003","9.7565","0.0004","21.1814","0.001","90","","93.913","0.002","90","","1492.85","0.11","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Hexaaquacopper(II) dihydrogen pyromellitate","","- C10 H16 Cu O14 -","- C10 H16 Cu O14 -","- C40 H64 Cu4 O56 -","4","0.5","","Oguntade, Bukunola K.; Hulushe, Siya T.; Hosten, Eric C.; Watkins, Gareth M.","Synthesis and crystal structure of hexaaquacopper(II) 2,5-dicarboxyterephthalate, C10H16O14Cu","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","37","38","10.1515/ncrs-2020-0454","","","0.71073","MoKα","","0.0214","0.0198","","","0.0504","0.0509","","","","","","1.065","","","","has coordinates","273990","2022-03-25","10:02:54",""
"8105205","7.4941","0.0003","12.8731","0.0004","15.8688","0.0005","90","","93.042","0.003","90","","1528.74","0.09","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 Cl6 N2 Sn -","- C10 H10 Cl6 N2 Sn -","- C40 H40 Cl24 N8 Sn4 -","4","0.5","","Reiss, Guido J.; van Megen, Martin","The twinned crystal structure of [4,4′-bipyridine]-1,1′-diium hexachloridostannate(IV), C10H10N2SnCl6","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","281","284","10.1515/ncrs-2021-0443","","","0.71073","MoKα","","0.0434","0.0264","","","0.0467","0.0485","","","","","","1.033","","","","has coordinates","275299","2022-05-10","08:34:54",""
"8105211","18.2546","0.0014","11.051","0.0007","16.1874","0.0015","90","","119.605","0.011","90","","2839.2","0.5","200","0.1","200","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H24 N4 O4 Zn -","- C34 H24 N4 O4 Zn -","- C136 H96 N16 O16 Zn4 -","4","0.5","","Wang, Li-Hua; Tai, Xi-Shi; Xia, Yu-Pei","The crystal structure of catena-poly[(m2-4,4′-bipyridine-κ2 N:N)-bis(6-phenylpyridine-2-carboxylato-κ2 N,O) zinc(II)], C34H24N4O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","2","305","307","10.1515/ncrs-2022-0003","","x-ray","0.71073","MoKα","","0.0361","0.0302","","","0.0662","0.0694","","","","","","1.047","","","","has coordinates","275324","2022-05-11","07:58:24",""
"8105279","16.386","0.002","11.705","0.001","19.005","0.003","90","","108.008","0.014","90","","3466.6","0.8","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","'Caesium(I)-Bis(1,4,7,10-tetraoxacyclo' dodecane)-pentaiodide'","","- C16 H32 Cs I7 O8 -","- C16 H32 Cs I7 O8 -","- C64 H128 Cs4 I28 O32 -","4","0.5","","Bloukh, Samir Haj; Edis, Zehra","Crystal structure and antimicrobial properties of (1,4,7,10-tetraoxacyclododecane-κ4 O,O′,O′′,O′′′)cesium(I) pentaiodide, C16H32CsI5O8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","3","759","761","10.1515/ncrs-2020-0057","","","0.71073","MoKα","","0.0491","0.0437","","","0.1062","0.1085","","","","","","1.268","","","","has coordinates","275482","2022-05-17","08:21:36",""
"8105300","12.2643","0.0008","7.1481","0.0004","26.2858","0.0016","90","","93.119","0.006","90","","2301","0.2","298","2","298","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H30 Ag2 N4 O11 S2 -","- C12 H30 Ag2 N4 O11 S2 -","- C48 H120 Ag8 N16 O44 S8 -","4","0.5","","Jiang, Jin-Ke; Li, Xi-Xi; Wu, Hua; Dong, Xian-Wu; Jiang, Hui","Crystal structure of catena-poly[aqua(μ6-piperazine-1,4-bisethanesulfonato-κ6 N:N′:O:O′:O′′:O′′′)(μ2-pyrazinyl-κ2 N:N′)disilver(I)sesquihydrate], C12H30Ag2N4O11S2","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","831","832","10.1515/ncrs-2020-0030","","","0.71073","MoKα","","0.0205","0.0186","","","0.0455","0.0462","","","","","","1.102","","","","has coordinates","275541","2022-05-19","08:46:39",""
"8105318","37.804","0.0012","6.086","0.0002","19.3025","0.0006","90","","98.104","0.003","90","","4396.7","0.2","291.8","0.2","291.8","0.2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H24 Cl12 N4 Ni2 O18 -","- C28 H24 Cl12 N4 Ni2 O18 -","- C112 H96 Cl48 N16 Ni8 O72 -","4","0.5","","Du, Zhong-Xiang; Li, Jun-Xia","Crystal structure of tetraaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-κO)-nickel(II)—diaqua-bis(2-((3,5,6-trichloropyridin-2-yl)oxy)acetato-nickel(II), C28H24Cl12N4Ni2O18","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","881","883","10.1515/ncrs-2020-0075","","x-ray","0.71073","MoKα","","0.0856","0.0498","","","0.0886","0.1039","","","","","","0.997","","","","has coordinates","275574","2022-05-20","09:11:54",""
"8105320","15.7577","0.001","12.6174","0.0007","16.7333","0.001","90","","99.609","0.006","90","","3280.3","0.3","291","2","291.2","0.3","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H26 Cl6 N4 Ni O8 -","- C28 H26 Cl6 N4 Ni O8 -","- C112 H104 Cl24 N16 Ni4 O32 -","4","0.5","","Li, Jun-Xia; Du, Zhong-Xiang","The crystal structure of catena-poly[(μ2-4,4′-dipyridine-κ2 N,N′)-bis(3,5,6-trichloropyridine-2-oxyacetato-κO)-bis(ethanol-κO)nickel(II)], C28H26Cl6N4NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","887","890","10.1515/ncrs-2020-0083","","x-ray","0.71073","MoKα","","0.1129","0.0674","","","0.1312","0.1665","","","","","","1.03","","","","has coordinates","275576","2022-05-20","09:25:51",""
"8105650","8.6162","0.0004","11.0217","0.0005","45.266","0.002","90","","92.828","0.004","90","","4293.5","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H40 Mn2 N2 O10 -","- C52 H40 Mn2 N2 O10 -","- C208 H160 Mn8 N8 O40 -","4","0.5","","Chen, Shi-Jun; Li, Shi-Hui; Wang, Wei-Hua; Long, Yong-Fu; Zhang, Wen-Lai; Wang, Tao; Xu, Yan-Li","Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2 N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4 O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","373","375","10.1515/ncrs-2017-0312","","x-ray","0.71073","MoKα","","0.0704","0.0476","","","0.0882","0.0988","","","","","","1.051","","","","has coordinates","276559","2022-07-05","07:49:57",""
"8105677","9.8281","0.0002","11.8792","0.0002","21.1568","0.0004","90","","91.1599","0.0019","90","","2469.55","0.08","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C9 H5 Cl3 N1.5 O4 Tb0.5 -","- C9 H5 Cl3 N1.5 O4 Tb0.5 -","- C72 H40 Cl24 N12 O32 Tb4 -","8","1","","Liu, Guang-Zhen; Xin, Ling-Yun; Li, Xiao-Ling","Crystal structure of coordination polymer catena-poly[diaqua-(2,6-dichloropyridine-4-carboxyliato-κ2 O,O′)-bis(μ2-2,6-dichloropyridine-4-carboxyliato-κ2 O:O′)terbium(III), C18H10Cl6N3O8Tb","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","449","450","10.1515/ncrs-2018-0461","","x-ray","0.71073","MoKα","","0.0202","0.0196","","","0.047","0.0473","","","","","","1.05","","","","has coordinates","276753","2022-07-11","08:45:55",""
"8105752","11.4188","0.0004","3.7968","0.0002","30.232","0.0018","90","","96.037","0.006","90","","1303.44","0.11","293.27","0.1","293.27","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C56 H52 N12 O16 -","4","0.5","","Jian-Ge, Wang; Hua-Rui, Wang","The crystal structure of ammonium (E)-4-((4-carboxyphenyl)diazenyl)benzoate, C14H13N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","569","570","10.1515/ncrs-2022-0138","","x-ray","0.71073","MoKα","","0.0725","0.0656","","","0.2003","0.2073","","","","","","1.14","","","","has coordinates,has disorder","277589","2022-09-02","08:04:31",""
"8105771","12.6503","0.0009","8.0959","0.0006","22.9723","0.0014","90","","99.424","0.006","90","","2321","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C11 H9 Co N3 O4 -","- C11 H9 Co N3 O4 -","- C88 H72 Co8 N24 O32 -","8","1","","Li, Xiao-Jun; Zeng, Xu-Li; Che, Li-Rui; Xu, Zhen","Crystal structure of poly[(μ 4-(4H-1,2,4-triazol-4-yl)phenyl)acetato-κ4 N,N′,O,O′)(formiato-κ1 O)cobalt(II)], C11H9CoN3O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","533","534","10.1515/ncrs-2018-0541","","x-ray","1.54184","CuKα","","0.0435","0.037","","","0.0974","0.1101","","","","","","1.088","","","","has coordinates","277829","2022-09-14","09:09:17",""
"8105781","17.6153","0.0006","6.6922","0.0002","24.133","0.0009","90","","107.899","0.004","90","","2707.23","0.17","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H12 N3 O6 Zn -","- C12 H12 N3 O6 Zn -","- C96 H96 N24 O48 Zn8 -","8","1","","Feng-Yang, Ju; Ke-Xin, Ding; Fang, Liu","Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2 N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2 O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","567","569","10.1515/ncrs-2018-0565","","x-ray","0.71073","MoKα","","0.0319","0.0262","","","0.0663","0.0691","","","","","","1.047","","","","has coordinates","277916","2022-09-16","09:17:21",""
"8105900","12.6379","0.0002","4.9674","0.0001","26.1845","0.0004","90","","94.507","0.001","90","","1638.71","0.05","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C14 H12 Br4 Sn -","- C14 H12 Br4 Sn -","- C56 H48 Br16 Sn4 -","4","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of dibromidobis(4-bromobenzyl)tin(IV), C14H12Br4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","947","948","10.1515/ncrs-2019-0162","","","1.54184","CuKα","","0.0148","0.0142","","","0.0355","0.0358","","","","","","1.023","","","","has coordinates","278649","2022-10-20","07:43:07",""
"8105944","20.3481","0.0008","10.2647","0.0004","23.6975","0.0011","90","","105.317","0.005","90","","4773.8","0.4","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H23 F2 N3 O S -","- C28 H23 F2 N3 O S -","- C224 H184 F16 N24 O8 S8 -","8","1","","Alotaibi, Mohammad Hayal; Abdel-Wahab, Bakr F.; Aldosari, Obaid Fahad; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","The crystal structure of N-(7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbonothioyl)benzamide, C28H23F2N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1083","1085","10.1515/ncrs-2019-0281","","","0.71073","MoKα","","0.0908","0.0489","","","0.1256","0.1543","","","","","","1.027","","","","has coordinates,has disorder","278711","2022-10-21","09:32:52",""
"8105954","21.2034","0.0007","5.0614","0.0002","27.5987","0.0012","90","","105.991","0.004","90","","2847.3","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H30 N4 O4 S2 -","- C32 H30 N4 O4 S2 -","- C128 H120 N16 O16 S8 -","4","0.5","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of the co-crystal 4-[(4-carboxyphenyl)disulfanyl]benzoic acid–(1E,4E)-1-N,4-N-bis(pyridin-4-ylmethylidene)cyclohexane-1,4-diamine (1/1), C14H10O4S2⋅C18H20N4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1121","1123","10.1515/ncrs-2019-0488","","","1.54184","CuKα","","0.0457","0.0431","","","0.1218","0.1246","","","","","","1.065","","","","has coordinates","278734","2022-10-24","08:32:23",""
"8106188","20.997","0.002","4.4785","0.0003","23.242","0.003","90","","113.532","0.014","90","","2003.8","0.4","287","","287","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9.5 H7 F2 I N -","- C9.5 H7 F2 I N -","- C76 H56 F16 I8 N8 -","8","1","","Dang, Limin; Huang, Saijin; Yin, Aiwu","Halogen bonds in the crystal structure of 1,4-diiodotetrafluorobenzene–1,2-bis(4-pyridyl)propane (1/1), C19H14F4I2N2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","473","475","10.1515/ncrs-2017-0364","","x-ray","0.71073","MoKα","","0.0374","0.0324","","","0.0684","0.0706","","","","","","1.139","","","","has coordinates","279436","2022-11-21","10:09:03",""
"8106285","21.2654","0.0005","11.1493","0.0003","17.3039","0.0004","90","","97.774","0.002","90","","4064.95","0.17","289.23","0.1","289.23","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C100 H60 Cd4 N12 O16 -","- C100 H60 Cd4 N12 O16 -","- C200 H120 Cd8 N24 O32 -","2","0.25","","Song, Wei; Xu, Xue-Li; Yang, Yan-Ju; Li, Shi-Hui","Crystal structure of catena-poly[(μ3-5-carboxy-2-(pyridin-4-yl)benzoato-κ5 O,O′:O′′,O′′′:O′′′)(1,10-phenanthroline-κ2 N,N′)cadmium(II)], C100H60N12O16Cd4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","755","756","10.1515/ncrs-2017-0299","","x-ray","0.71073","MoKα","","0.024","0.0213","","","0.0544","0.0559","","","","","","1.13","","","","has coordinates","279606","2022-11-28","10:24:02",""
"8106523","17.3143","0.0009","8.7081","0.0004","19.6795","0.0008","90","","101.795","0.004","90","","2904.5","0.2","293","2","293.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H14 Cl2 F4 I2 N4 -","- C30 H14 Cl2 F4 I2 N4 -","- C120 H56 Cl8 F16 I8 N16 -","4","0.5","","Wang, Jian-Ge; Wang, Weizhou","Crystal structure of halogen-bonded 2-chloro-1,10-phenanthroline—1,4-diiodotetrafluorobenzene (2/1), C30H14Cl2F4I2N4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","323","324","10.1515/ncrs-2016-0263","","x-ray","0.71073","MoKα","","0.0426","0.034","","","0.084","0.089","","","","","","1.024","","","","has coordinates","280496","2023-01-21","08:46:28",""
"8107229","7.4191","0.0009","24.458","0.003","25.81","0.003","90","","92.426","0.003","90","","4679.2","1","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H16 Br2 N2 O4 Zn -","- C24 H16 Br2 N2 O4 Zn -","- C192 H128 Br16 N16 O32 Zn8 -","8","1","","Yang, Xiuyan; Luo, Yingchun","Crystal structure of catena-poly[(μ 2-4,4′-bipyridine-κ2 N:N′)-bis(4-bromobenzoato-κ1 O)zinc(II)], C24H16Br2N2O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","833","835","10.1515/ncrs-2022-0122","","","0.71073","MoKα","","0.0899","0.0514","","","0.1443","0.171","","","","","","1.08","","","","has coordinates","283922","2023-05-22","07:39:11",""
"8107315","13.257","0.005","16.161","0.004","13.262","0.003","90","","97.47","0.03","90","","2817.2","1.4","300","","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H13 Cl N2 O4 -","- C14 H13 Cl N2 O4 -","- C112 H104 Cl8 N16 O32 -","8","1","","Liu, Kun; Han, Qiang; Zhao, Kai-Hui; Zhong, Qi-Di; Zhang, Zhi-Fei","Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4- hydroxybenzohydrazide-water (1/1), C14H13Cl1N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1135","1136","10.1515/ncrs-2022-0246","","x-ray","0.71073","MoKα","","0.1155","0.0578","","","0.1379","0.1714","","","","","","0.982","","","","has coordinates","284407","2023-06-08","08:15:08",""
"8107352","12.152","0.002","5.0051","0.0008","27.273","0.005","90","","101.536","0.007","90","","1625.3","0.5","296","1","296","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H18 O8 Zn -","- C16 H18 O8 Zn -","- C64 H72 O32 Zn4 -","4","0.5","","Huang, Yujiao; Li, Ben; Miao, Siyi; Luo, Linhui; Pang, Haixia; Tang, Qiang","Crystal structure of diaqua-bis(4-(hydroxymethyl)-benzoato-k1 O)zinc(II), C16H18O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","57","59","10.1515/ncrs-2022-0428","","","0.71073","MoKα","","0.0865","0.0516","","","0.125","0.1428","","","","","","0.999","","","","has coordinates","284456","2023-06-13","07:41:27",""
"8107395","11.4278","0.0008","8.5816","0.0006","25.1115","0.0018","90","","95.173","0.006","90","","2452.6","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","H-1","","- C11 H14 N2 S2 -","- C11 H14 N2 S2 -","- C88 H112 N16 S16 -","8","1","","Duan, Yong-Hua; Yuan, Fei; Hu, Shi-Biao; Bian, Jiang; Guo, Ya-Fei","Crystal structure of S-(benzo[d]thiazol-2-yl)-N-(tert-butyl)thiohydroxylamine, C11H14N2S2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","203","205","10.1515/ncrs-2022-0552","","x-ray","0.71073","MoKα","","0.0533","0.0416","","","0.108","0.1169","","","","","","1.06","","","","has coordinates","284502","2023-06-20","08:13:24",""
"8107629","13.2666","0.0017","11.0435","0.0015","19.778","0.003","90","","92.707","0.01","90","","2894.4","0.7","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H17 N6 O2 -","- C13 H17 N6 O2 -","- C104 H136 N48 O16 -","8","1","","Wang, Zhi-Yong; Qian, Peng-Xin; Yang, Xian-Jiong; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li","Crystal structure of 6-(pyridin-3-yl)-1,3,5-triazine-2,4-diamine-sebacic acid (2/1), C13H17N6O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","1025","1026","10.1515/ncrs-2023-0336","","","0.71073","MoKα","","0.1266","0.0528","","","0.1137","0.1511","","","","","","0.93","","","","has coordinates","286982","2023-10-16","07:32:32",""
"8107647","20.817","0.0006","7.8774","0.0003","21.8896","0.0006","90","","110.596","0.002","90","","3360.11","0.19","","","200","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","fac-tricarbonyl-2-((E)-(3-amino-2-hydroxypropyl- imino)methyl)phenol rhenium(I) toluene solvate","","","- C33 H34 N4 O10 Re2 -","- C33 H37 N4 O10 Re2 -","- C132 H148 N16 O40 Re8 -","4","0.5","","Habarurema, Gratien; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","Crystal structure of fac-tricarbonyl-2-((E)-(3-amino-2-hydroxypropylimino) methyl)phenol rhenium(I) toluene solvate, C33H34N4O10Re2","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","1","38","40","10.1515/ncrs-2014-0221","","x-ray","0.71073","MoKα","","","0.0166","","","0.0351","","","","","","","","","","","has coordinates","287561","2023-11-13","08:48:42",""
"8107720","15.771","0.004","11.101","0.003","22.072","0.006","90","","101.986","0.009","90","","3780","1.7","","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","(6E)-2-[(ortho-hydroxy)benzylidene]-1-[4,5-dihydro- 5-(ortho-hydroxy-phenyl)-1,3,4-thiadiazo-2-yl-4-isoproylidenonium]- hydrazine chloride","","","- C18 H19 Cl N4 O2 S -","- C18 H19 Cl N4 O2 S -","- C144 H152 Cl8 N32 O16 S8 -","8","1","","Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard","Crystal structure of (6E)-2-[(ortho-hydroxy)benzylidene]-1-[4,5-dihydro- 5-(ortho-hydroxy-phenyl)-1,3,4-thiadiazo-2-yl-4-isoproylidenonium]- hydrazine chloride, C18H19ClN4O2S","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","69","70","10.1515/ncrs-2014-0229","","x-ray","0.71073","MoKα","","","0.0551","","","0.1538","","","","","","","","","","","has coordinates","288302","2023-12-14","09:11:45",""
"9000670","22.783","","8.745","","17.066","","90","","96.705","","90","","3376.93","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","Hydrochlorborite","- B4 Ca2 Cl H21 O18 -","- B4 Ca2 Cl H21 O18 -","- B32 Ca16 Cl8 H168 O144 -","8","1","","Brown, G. E.; Clark, J. R.","Crystal structure of hydrochlorborite, Ca2[B3O3(OH)4.OB(OH)3]Cl.7H2O, a seasonal evaporite mineral","American Mineralogist","1978","63","","814","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:39",""
"9000727","13.692","","13.643","","13.56","","90","","90.5","","90","","2532.91","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","Wairakite","- Al1.9 Ca0.899 H4 Na0.139 O14 Si4.1 -","- Al1.9 Ca0.899 H4 Na0.1385 O14 Si4.1 -","- Al15.2 Ca7.192 H32 Na1.108 O112 Si32.8 -","8","1","","Takeuchi, Y.; Mazzi, F.; Haga, N.; Galli, E.","The crystal structure of wairakite","American Mineralogist","1979","64","","993","1001","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:12",""
"9001106","5.178","","8.756","","9.768","","90","","93.52","","90","","442.032","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","Lucasite-(Ce)","- Ce O6 Ti2 -","- Ce O6 Ti2 -","- Ce4 O24 Ti8 -","4","0.5","","Nickel, E. H.; Grey, I. E.; Madsen, I. C.","Lucasite-(Ce), CeTi2(O,OH)6, a new mineral from Western Australia: Its description and structure","American Mineralogist","1987","72","","1006","1010","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001751","5.674","","15.1049","","6.4909","","90","","118.513","","90","","488.829","","","","4.2","","","","","","","","","4","I 1 2/a 1","","","","","Gypsum (deuterated)","- Ca D4 O6 S -","- Ca D4 O6 S -","- Ca4 D16 O24 S4 -","4","0.5","","Schofield, P. F.; Knight, K. S.; Stretton, I. C.","Thermal expansion of gypsum investigated by neutron powder diffraction T = 4.2 K","American Mineralogist","1996","81","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001752","5.6742","","15.1236","","6.5018","","90","","118.495","","90","","490.357","","","","150","","","","","","","","","4","I 1 2/a 1","","","","","Gypsum (deuterated)","- Ca D4 O6 S -","- Ca D4 O6 S -","- Ca4 D16 O24 S4 -","4","0.5","","Schofield, P. F.; Knight, K. S.; Stretton, I. C.","Thermal expansion of gypsum investigated by neutron powder diffraction T = 150 K","American Mineralogist","1996","81","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9001753","5.6769","","15.2074","","6.5277","","90","","118.494","","90","","495.279","","","","320","","","","","","","","","4","I 1 2/a 1","","","","","Gypsum (deuterated)","- Ca D4 O6 S -","- Ca D4 O6 S -","- Ca4 D16 O24 S4 -","4","0.5","","Schofield, P. F.; Knight, K. S.; Stretton, I. C.","Thermal expansion of gypsum investigated by neutron powder diffraction T = 320 K","American Mineralogist","1996","81","","847","851","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:43",""
"9002027","8.5173","","4.7453","","10.399","","90","","90","","90","","420.298","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","PON","- N O P -","- N O P -","- N12 O12 P12 -","12","1.5","","Chateau, C.; Haines, J.; Leger, J. M.; LeSauze, A.; Marchand, R.","A moganite-type phase in the silica analog phosphorus oxynitride","American Mineralogist","1999","84","","207","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002182","5.55","","13.539","","25.134","","90","","93.928","","90","","1884.17","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","Ganophyllite","- K0.46 Mn1.988 O9.439 Si3.184 -","- K0.46 Mn1.988 O9.674 Si3.184 -","- K3.68 Mn15.904 O77.392 Si25.472 -","8","1","","Noe, D. C.; Veblen, D. R.","Incommensurate modulation and the crystal structure of ganophyllite","American Mineralogist","1999","84","","1088","1098","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002639","11.78","","9.486","","19.73","","90","","95.23","","90","","2195.55","","","","170","","","","","","","","","5","I 1 2/a 1","","","","","Leonite","- H8 K2 Mg O12 S2 -","- H8 K2 Mg O12 S2 -","- H64 K16 Mg8 O96 S16 -","8","1","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 170 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9002642","12.035","","9.549","","19.839","","90","","94.99","","90","","2271.3","","","","185","","","","","","","","","5","I 1 2/a 1","","","","","Leonite","- H8 K2 Mn O12 S2 -","- H8 K2 Mn O12 S2 -","- H64 K16 Mn8 O96 S16 -","8","1","","Hertweck, B.; Giester, G.; Libowitzky, E.","The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 185 K","American Mineralogist","2001","86","","1282","1292","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9002648","8.7371","","4.8692","","10.7217","","90","","90.193","","90","","456.127","","","","298","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","Moganite","- O2 Si -","- O2 Si -","- O24 Si12 -","12","1.5","","Heaney, P. J.; Post, J. E.","Evidence for an I2/a to Imab phase transition in the silica polymorph moganite at ~570 K Sample: T = 298 K, neutron","American Mineralogist","2001","86","","1358","1366","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9004424","11.654","","12.78","","6.84","","90","","99.11","","90","","1005.89","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","Keyite","- As3 Cd Cu1.5 H4 O14 Zn2 -","- As3 Cd Cu1.5 H4 O14 Zn2 -","- As12 Cd4 Cu6 H16 O56 Zn8 -","4","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of keyite, Cu3(Zn,Cu)4Cd2(AsO4)6(H2O)2, an oxysalt mineral with essential cadmium","The Canadian Mineralogist","1996","34","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004732","6.8113","","13.0358","","11.3245","","90","","100.25","","90","","989.464","","","","","","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","Arseniopleite","- As3 Ba0.01 Ca0.68 Fe0.27 Mg0.52 Mn2.21 Na1.25 O12 Pb0.06 -","- As3 Ba0.01 Ca0.68 Fe0.27 Mg0.52 Mn2.21 Na1.25 O12 Pb0.06 -","- As12 Ba0.04 Ca2.72 Fe1.08 Mg2.08 Mn8.84 Na5 O48 Pb0.24 -","4","0.5","","Tait, K. T.; Hawthorne, F. C.","Refinement of the crystal structure of arseniopleite: Confirmation of its status as a valid species","The Canadian Mineralogist","2003","41","","71","77","10.2113/gscanmin.41.1.71","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004840","6.752","","12.739","","11.068","","90","","100.37","","90","","936.45","","","","","","","","","","","","Tolbachik, Kamchatka Peninsula, Russia","10","I 1 2/a 1","-I 2ya","15","","","Johillerite","- Al0.06 As3 Ca0.01 Cu1.6 Fe0.25 K0.03 Mg2.09 Na0.77 O12 Pb0.01 -","- Al0.06 As3 Ca0.01 Cu1.6 Fe0.25 K0.03 Mg2.09 Na0.77 O12 Pb0.01 -","- Al0.24 As12 Ca0.04 Cu6.4 Fe K0.12 Mg8.36 Na3.08 O48 Pb0.04 -","4","0.5","","Tait, K. T.; Hawthorne, F. C.","Johillerite from Tolbachik, Kamchatka Peninsula, Russia: Crystal-structure refinement and chemical composition","The Canadian Mineralogist","2004","42","","717","722","10.2113/gscanmin.42.3.717","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9005115","8.758","","4.876","","10.715","","90","","90.08","","90","","457.573","","","","","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","Moganite","- O2 Si -","- O2 Si -","- O24 Si12 -","12","1.5","","Miehe, G.; Graetsch, H.","Crystal structure of moganite: a new structure type of silica","European Journal of Mineralogy","1992","4","","693","706","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005600","13.666","","13.623","","13.531","","90","","90.5","","90","","2519","","","","293.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","Wairakite","- Al2 Ca0.959 H2.04 Na0.041 O13.82 Si4 -","- Al2 Ca0.959 H3.64 Na0.041 O13.82 Si4 -","- Al16 Ca7.672 H29.12 Na0.328 O110.56 Si32 -","8","1","","Seryotkin, Y. V.; Joswig, W.; Bakakin, V. V.; Belitsky, I. A.; Fursenko, B. A.","High-temperature crystal structure of wairakite Sample: Wai-20, T = 20 deg C","European Journal of Mineralogy","2003","15","","475","484","10.1127/0935-1221/2003/0015-0475","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005748","11.835","","6.328","","9.983","","90","","105.81","","90","","719.363","","","","","","","","","","","","Okatjimukuju, Karibib, Namibia","4","I 1 2/a 1","-I 2ya","15","","","Stanekite","- Fe1.1 Mn0.81 O5 P -","- Fe1.1 Mn0.81 O5 P -","- Fe8.8 Mn6.48 O40 P8 -","8","1","","Keller, P.; Lissner, F.; Schleid, T.","The crystal structure of stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O, from Okatjimukuju, Karibib (Namibia), and its relationship to the polymorphs of synthetic Fe2[PO4]O Locality: Okatjimukuju, Karibib, Namibia Note: Uiso(O4) corrected","European Journal of Mineralogy","2006","18","","113","118","10.1127/0935-1221/2006/0018-0113","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9006646","5.6769","","15.2074","","6.5277","","90","","118.494","","90","","495.279","","","","320","","","","","","","","","4","I 1 2/a 1","","","","","Gypsum (deuterated)","- Ca D4 O6 S -","- Ca D4 O6 S -","- Ca4 D16 O24 S4 -","4","0.5","","Knight, K. S.; Stretton, I. C.; Schofield, P. F.","Temperature evolution between 50 K and 320 K of the thermal expansion tensor of gypsum derived from neutron powder diffraction data Sample: T = 320 K","Physics and Chemistry of Minerals","1999","26","","477","483","10.1007/s002690050210","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9007883","12.664","","7.563","","9.914","","90","","91.32","","90","","949.289","","","","","","","","","","","","Roughton Gill, England","5","I 1 2/a 1","-I 2ya","15","","","Liroconite","- Al As Cu2 H12 O12 -","- Al As Cu2 H12 O12 -","- Al4 As4 Cu8 H48 O48 -","4","0.5","","Burns, P. C.; Eby, R. K.; Hawthorne, F. C.","Refinement of the structure of liroconite, a heteropolyhedral framework oxysalt mineral","Acta Crystallographica, Section C","1991","47","","916","919","10.1107/S0108270190010939","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007887","5.578","","15.006","","6.275","","90","","117.83","","90","","464.488","","","","","","","","","","","","Synthetic","7","I 1 2/a 1","-I 2ya","15","","","Churchite-(Y)","- Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947 -","- Dy0.028 Er0.018 Gd0.007 H4 O6 P Y0.947 -","- Dy0.112 Er0.072 Gd0.028 H16 O24 P4 Y3.788 -","4","0.5","","Kohlmann, M.; Sowa, H.; Reithmayer, K.; Schulz, H.; Kruger, R. R.; Abriel, W.","Structure of a Y(1-x)(Gd,Dy,Er)xPO4*2H2O microcrystal using synchrotron radiation Note: anisoU's taken from ICSD Note: isostructural with gypsum","Acta Crystallographica, Section C","1994","50","","1651","1652","10.1107/S0108270194000806","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9008178","12.065","","6.454","","9.937","","90","","107.093","","90","","739.591","","","","","","","","","","","","Mica Lode, Colorado, USA","7","I 1 2/a 1","-I 2ya","15","","","Triplite","- Ca0.1 F Fe0.25 Mg0.7 Mn0.95 O4 P -","- Ca0.1 F Fe0.25 Mg0.7 Mn0.95 O4 P -","- Ca0.8 F8 Fe2 Mg5.6 Mn7.6 O32 P8 -","8","1","","Waldrop, L.","The crystal structure of triplite, (Mn,Fe)2FPO4","Zeitschrift fur Kristallographie","1969","130","","1","14","10.1524/zkri.1969.130.1-6.1","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9008387","13.689","","13.676","","13.665","","90","","90.38","","90","","2558.18","","","","","","","","","","","","Husa u Marcinova, Bohemia, Czech Republic","5","I 1 2/a 1","-I 2ya","15","","","Analcime","- Al1.8 H4 Na1.8 O14 Si4 -","- Al1.8 H4 Na1.8 O14 Si4 -","- Al14.4 H32 Na14.4 O112 Si32 -","8","1","","Pechar, F.","The crystal structure of natural monoclinic analcime (NaAlSi2O6*H2O) Note: z(H1) adjusted to match reported bond angle","Zeitschrift fur Kristallographie","1988","184","","63","69","10.1524/zkri.1988.184.1-2.63","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9009485","6.855","","13.147","","11.479","","90","","98.97","","90","","1021.87","","","","","","","","","","","","Langban, Sweden","9","I 1 2/a 1","-I 2ya","15","","","Caryinite","- As2.892 Ca1.91 Mg0.56 Mn1.77 Na1.376 O12 P0.09 Pb0.384 V0.018 -","- As2.892 Ca1.91 Mg0.56 Mn1.77 Na1.376 O12 P0.09 Pb0.384 V0.018 -","- As11.568 Ca7.64 Mg2.24 Mn7.08 Na5.504 O48 P0.36 Pb1.536 V0.072 -","4","0.5","","Ercit, T. S.","Caryinite revisited","Mineralogical Magazine","1993","57","","721","727","10.1180/minmag.1993.057.389.16","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009712","12.035","","6.432","","9.799","","90","","108.12","","90","","720.914","","","","","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","Magniotriplite","- F0.68 Fe0.88 H2 Mg0.89 Mn0.23 O4.32 P -","- F0.68 Fe0.88 H0.32 Mg0.89 Mn0.23 O4.32 P -","- F5.44 Fe7.04 H2.56 Mg7.12 Mn1.84 O34.56 P8 -","8","1","","Tadini C","Magniotriplite: its crystal structure and relation to the triplite-triploidite group Locality: a pegmatite of the Valmy, Alberes massif, Pyrenees, France","Bulletin de Mineralogie","1981","104","","677","680","","","","","","","","","","","","","","","","","","","","","","has coordinates","287548","2023-11-11","13:26:52",""
"9009751","5.535","","11.3991","","5.159","","90","","94.6","","90","","324.454","","","","","","","","","","","","Synthetic","3","I 1 2/a 1","-I 2ya","15","","","Beta - fergusonite-(Ce)","- Ce Nb O4 -","- Ce Nb O4 -","- Ce4 Nb4 O16 -","4","0.5","","Santoro A; Marezio M; Roth R S; Minor D","Neutron powder diffraction study of the structures of CeTaO4, CeNbO4, and NdTaO4","Journal of Solid State Chemistry","1980","35","","167","175","10.1016/0022-4596(80)90489-2","","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009753","5.5115","","11.232","","5.1112","","90","","95.71","","90","","314.84","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Nd O4 Ta -","- Nd O4 Ta -","- Nd4 O16 Ta4 -","4","0.5","","Santoro, A.; Marezio, M.; Roth, R. S.; Minor, D.","Neutron powder diffraction study of the structures of CeTaO4, CeNbO4, and NdTaO4","Journal of Solid State Chemistry","1980","35","","167","175","10.1016/0022-4596(80)90489-2","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009872","12.09","","8.63","","14.49","","90","","97.5","","90","","1498.91","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Dimethylammonium Copper Chloride","","- C2 H8 Cl3 Cu N -","- C2 H8 Cl3 Cu N -","- C16 H64 Cl24 Cu8 N8 -","8","1","","Willett, Roger D.","Crystal structure and optical properties of (CH3)2NH2CuCl3","Journal of Chemical Physics","1966","44","1","39","42","10.1063/1.1726475","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"9011735","11.888","","6.409","","9.804","","90","","106.17","","90","","717.418","","","","","","","","","","","","Helikon II mine, Karibib, Namibia","4","I 1 2/a 1","-I 2ya","15","","","Joosteite","- Fe0.48 Mn1.436 O5 P -","- Fe0.48 Mn1.436 O5 P -","- Fe3.84 Mn11.488 O40 P8 -","8","1","","Keller, P.; Lissner, F.; Schleid, T.","The crystal structure of joosteite, (Mn2+,Mn3+,Fe3+)2[PO4]O, from the Helikon II mine, Karibib (Namibia), and its relationship to stanekite, (Fe3+,Mn2+,Fe2+,Mg)2[PO4]O Note: M1 and M2 Fe/Mn occupancies not determined, below are estimates Locality: Helikon II mine, Karibib, Namibia","Neues Jahrbuch fur Mineralogie, Abhandlungen","2007","184","","225","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011803","13.694","","13.644","","13.576","","90","","90.46","","90","","2536.47","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","Wairakite","- Al Ca0.5 H2 O7 Si2 -","- Al Ca0.5 H2 O7 Si2 -","- Al16 Ca8 H32 O112 Si32 -","16","2","","Henderson, C. M. B.; Bell, A. M. T.; Kohn, S. C.; Page, C. S.","Leucite-pollucite structure-type variability and the structure of a synthetic end-member calcium wairakite (CaAl2Si4O12*2(H2O))","Mineralogical Magazine","1998","62","","165","178","10.1180/002646198547558","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9012363","19.541","","9.431","","8.831","","90","","105.11","","90","","1571.21","","","","163","","","","","","","","","1","I 1 2/a 1","-I 2ya","15","","","Sulfur","- S16 -","- S16 -","- S64 -","4","0.5","","Steudel, R.; Steidel, J.; Reinhardt, R.","X-ray structural analyses of cyclodecasulfur (S10) and of a cyclohexasulfur-cyclodecasulfur molecular addition compound (S6*S10) Locality: synthetic Sample: at T = 163 K Note: structure pertaining to mix of S6 and S10","Zeitschrift fur Naturforschung B","1983","38","","1548","1556","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9014205","14.6389","","6.9591","","17.052","","90","","102.568","","90","","1695.52","","","","","","","","","","","","West Sunday mine, Slick Rock district, San Miguel County, Colorado, USA","5","I 1 2/a 1","-I 2ya","15","","","Calciodelrioite","- Ca0.978 H8 O10 Sr0.022 V2 -","- Ca0.978 H8 O10 Sr0.022 V2 -","- Ca7.824 H64 O80 Sr0.176 V16 -","8","1","","Kampf, A. R.; Marty, J.; Nash, B. P.; Plasil, J.; Kasatkin, A. V.; Skoda, R.","Calciodelrioite, Ca(VO3)2(H2O)4, the Ca analogue of delrioite, Sr(VO3)2(H2O)4","Mineralogical Magazine","2012","76","","2803","2817","10.1180/minmag.2012.076.7.12","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014603","5.1794","","11.089","","5.1176","","90","","91.282","","90","","293.853","","","","","","","","","","","","Mount Cervandone, Western Alps, Italy","16","I 1 2/a 1","-I 2ya","15","","","Fergusonite-(Y)-beta","- As0.27 Ca0.05 Dy0.07 Er0.05 Gd0.02 Nb0.68 Nd0.01 O4 Si0.01 Ta0.01 Tb0.01 Th0.01 U0.02 W0.06 Y0.7 Yb0.01 -","- As0.27 Ca0.05 Dy0.07 Er0.05 Gd0.02 Nb0.68 Nd0.01 O4 Si0.01 Ta0.01 Tb0.01 Th0.01 U0.02 W0.06 Y0.7 Yb0.01 -","- As1.08 Ca0.2 Dy0.28 Er0.2 Gd0.08 Nb2.72 Nd0.04 O16 Si0.04 Ta0.04 Tb0.04 Th0.04 U0.08 W0.24 Y2.8 Yb0.04 -","4","0.5","","Guastoni, A.; Camara, F.; Nestola, F.","Arsenic-rich fergusonite-beta-(Y) from Mount Cervandone (Western Alps, Italy): Crystal structure and genetic implications","American Mineralogist","2010","95","","487","494","10.2138/am.2010.3239","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015469","13.7249","","13.527","","13.6938","","90","","90.18","","90","","2542.33","","","","","","","","","","","","Nidym River, East Siberia, Russia","4","I 1 2/a 1","-I 2ya","15","","","Analcime","- Al Na O6 Si2 -","- Al15.9998 Na16 O96 Si32.0002 -","- Al15.9998 Na16 O96 Si32.0002 -","","","","Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V.","The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0 GPa","Mineralogical Magazine","2012","76","","129","142","10.1180/minmag.2012.076.1.129","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015570","7.5353","","5.7142","","10.8981","","90","","91.33","","90","","469.126","","","","","","","","","","","","Otto Mountain, Baker, California, USA","3","I 1 2/a 1","-I 2ya","15","","","Ottoite","- O5 Pb2 Te -","- O20 Pb8 Te4 -","- O20 Pb8 Te4 -","","","","Kampf, A. R.; Housley, R. M.; Mills, S. J.; Marty, J.; Thorne, B.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: I. Ottoite, Pb2TeO5, a new mineral with chains of tellurate octahedra","American Mineralogist","2010","95","","1329","1336","10.2138/am.2010.3510","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016228","10.6418","0.0001","5.8485","0.0001","14.4157","0.0001","90","","95.443","0.001","90","","893.17","0.02","150","","150","","","","","","","","Synthetic","4","I 1 2/a 1","-I 2ya","15","","","Volborthite","- Cu3 H6 O11 V2 -","- Cu3 H6 O11 V2 -","- Cu12 H24 O44 V8 -","4","0.5","","Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z.","Orbital Switching in a Frustrated Magnet","Nature Communications","2012","3","","860","865","10.1038/ncomms1875","","","0.7107","MoKα","","","0.0293","","","","0.0767","","","","","","1.144","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016970","9.79","","10.437","","9.79","","90","","90.97","","90","","1000.18","","","","348.15","","","","","","","","Rio Pian del Foco, Genova province, Italy","5","I 1 2/a 1","-I 2ya","15","","","Gismondine","- Al Ca0.44 H4.09 O6.045 Si -","- Al Ca0.44 H4.09 O6.045 Si -","- Al8 Ca3.52 H32.72 O48.36 Si8 -","8","1","","Wadoski-Romeijn E; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 75 C, Path 2","American Mineralogist","2013","98","","1988","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016971","9.434","","9.044","","9.695","","90","","89.04","","90","","827.072","","","","498.15","","","","","","","","Rio Pian del Foco, Genova province, Italy","5","I 1 2/a 1","-I 2ya","15","","","Gismondine","- Al2 Ca0.946 H2 O9 Si2 -","- Al2 Ca0.946 H2 O9 Si2 -","- Al8 Ca3.784 H8 O36 Si8 -","4","0.5","","Wadoski-Romeijn E; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 225 C, Path 2","American Mineralogist","2013","98","","1988","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017090","7.3951","","5.0117","","5.4417","","90","","95.666","","90","","200.695","","","","311.15","","","","","","","","Synthetic","2","I 1 2/a 1","-I 2ya","15","","","Hydrohematite","- Fe1.946 O3 -","- Fe7.784 O12 -","- Fe7.784 O12 -","","","","Peterson, K. M.; Heaney, P. J.; Post, J. E.; Eng, P. J.","A refined monoclinic structure for a variety of ""hydrohematite"" Note: T = 38 C","American Mineralogist","2015","100","","570","579","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:21",""
"9017191","12.109","","6.5162","","10.117","","90","","106.16","","90","","766.737","","","","","","","","","","","","Codera Valley, Sondrio, Central Alps, Italy","5","I 1 2/a 1","-I 2ya","15","","","Triplite","- F Fe0.036 Mn1.964 O4 P -","- F8 Fe0.288 Mn15.712 O32 P8 -","- F8 Fe0.288 Mn15.712 O32 P8 -","","","","Vignola, P.; Gatta, G. D.; Hatert, F.; Guastoni, A.; Bersani, D.","On the crystal-chemistry of a near-endmember triplite, Mn2+2(PO4)F, from the Codera Valley (Sondrio Province, Central Alps, Italy)","The Canadian Mineralogist","2014","52","","235","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:32",""
"9017497","12.09","","8.63","","14.49","","90","","97.5","","90","","1498.91","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C2 Cl3 Cu N -","- C16 Cl24 Cu8 N8 -","- C16 Cl24 Cu8 N8 -","","","","Willett, R. D.","Crystal structure and optical properties of (CH3)2NH2CuCl3","Journal of Chemical Physics","1966","44","","39","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:02",""