# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T09:24:39+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C 2 2 21' 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
"1000103","12.343","0.002","7.152","0.001","22.679","0.004","90","","90","","90","","2002","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Potassium calcium dialuminium fluoride","","- Al2 Ca F9 K -","- Al2 Ca F9 K -","- Al24 Ca12 F108 K12 -","12","1.5","","Hemon, A; Le Bail, A; Courbion, G","Crystal structure approach of KCaAl~2~F~9~. A new hexagonaltungsten- bronze related structure","European Journal of Solid State Inorganic Chemistry","1993","30","","415","426","","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001010","7.551","0.004","13.005","0.006","7.734","0.004","90","","90","","90","","759.5","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","NIOBIUM THALLIUM OXIDE (3.1/1/8.2)","","- Nb3.09 O8.22 Tl -","- Nb3.09 O8.222 Tl -","- Nb12.36 O32.888 Tl4 -","4","0.5","","Gasperin, M","Un niobate de thallium de type 'bronze hexagonal' excedentaire en cations","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2306","2308","10.1107/S0567740877008309","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001610","14.222","0.001","14.223","0.001","19.22699","0.004","90","","90","","90","","3889.2","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Rubidium oxide oxomolybdenum phosphate (3/2/4/4)","","- Mo4 O22 P4 Rb3 -","- Mo4 O22 P4 Rb3 -","- Mo32 O176 P32 Rb24 -","8","1","","Borel, M M; Leclaire, A; Guesdon, A; Grandin, A; Raveau, B","Mixed valent molybdenum monophosphates with an intersecting tunnel structure: A~3~O~2~(MoO)~4~(PO~4~)~4~ (A=Rb, Tl)","Journal of Solid State Chemistry","1994","112","","15","21","10.1006/jssc.1994.1257","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008237","7.54","0.003","13.06","0.02","7.75","0.003","90","","90","","90","","763.2","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Potassium niobium fluoride (0.3/1/3)","","- F3 K0.3 Nb -","- F3 K0.3 Nb -","- F36 K3.6 Nb12 -","12","1.5","","Masse, R; Aleonard, S; Averbuch-Pouchot, M T","Chemical Preparation and X-ray Structure Determination of K~0.3~ Nb F","Journal of Solid State Chemistry","1984","53","","136","139","10.1016/0022-4596(84)90236-6","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008303","4.8552","","8.4088","","4.5327","","90","","90","","90","","185.1","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","Manganese nitride (2/0.86)","","- Mn2 N0.86 -","- Mn2 N0.846667 -","- Mn12 N5.08 -","6","0.75","","Eddine, M N; Bertaut, E F","Structure cristallographique et magnetique de Mn~2~ N~0.86~ a basse Temperature","Solid State Communications","1977","23","","147","150","10.1016/0038-1098(77)90097-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008376","6.7572","0.0001","11.4866","0.0002","5.5994","0.0001","90","","90","","90","","434.6","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Barium vanadium(IV) sulfide","","- Ba S3 V -","- Ba S3 V -","- Ba4 S12 V4 -","4","0.5","","Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F","Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~","Journal of Physics C","1986","19","","6489","6503","10.1088/0022-3719/19/33/003","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010159","10.06","0.01","8.24","0.01","7.46","0.01","90","","90","","90","","618.4","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Dithallium aluminium fluoride","","- Al F5 Tl2 -","- Al F5 Tl2 -","- Al4 F20 Tl8 -","4","0.5","","Brosset, C","Herstellung und Kristallbau der Verbindungen Tl Al F~4~ und Tl~2~ Al F~5~","Zeitschrift fuer Anorganische und Allgemeine Chemie","1937","235","","139","147","10.1002/zaac.19372350119","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011063","7.8","","4.5","","5.56","","90","","90","","90","","195.2","","","","","","","","","","","","synthetic","2","C 2 2 21","C 2c 2","20","","Dihydrogen oxide - ice II","Ice II ?","- H2 O -","- H2 O -","- H16 O8 -","8","1","","McFarlan, Ronald L.","The Structure of Ice II","The Journal of Chemical Physics","1936","4","1","60","64","10.1063/1.1749748","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1100169","12.864","0.002","14.634","0.002","30.703","0.003","90","","90","","90","","5779.7","1.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Tetrakis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidinate-5-one-mu-N3,N4) dipalladium(II) tetrahydrate","","- C20 H20 N16 O8 Pd2 -","- C20 H12 N16 O8 Pd2 -","- C160 H96 N128 O64 Pd16 -","8","1","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","2373","2379","10.1016/j.poly.2004.07.024","","","0.71073","MoKα","","0.0857","0.0765","","","0.1864","0.1972","","","","","","1.256","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100389","7.967","0.001","24.71","0.003","14.722","0.003","90","","90","","90","","2898.24","","","","","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C32 H30 Cl N2 O4 P -","- C60 H58 Cl N2 O8 P -","- C240 H232 Cl4 N8 O32 P4 -","4","0.5","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt; Magull, Jörg","μ~2~-Chlorokomplexe von Succinimid und N-Chlorsuccinimid. Die Kristallstrukturen von PPh~4~[Cl(Succinimid)~2~], PPh~4~[[Cl(N-Cl-Succinimid)~2~] und N-Chlorphthalimid / μ~2~-Chloro Complexes of Succinimide and N-Chlorosuccinimide. The Crystal Structures of PPh~4~[Cl(Succinimide)~2~], PPh~4~[Cl(N-Cl-Succinimide)~2~] and N-Chlorophthalimide}","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1994","49","4","506","512","10.1515/znb-1994-0413","","","","","","","","","","","","","","","","","","","","","has coordinates","177083","2020-10-21","18:00:00",""
"1501989","5.6207","0.0004","21.3127","0.0015","37.844","0.003","90","","90","","90","","4533.4","0.6","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H30 N2 O5 -","- C24 H30.01 N2.01 O5.02 -","- C192 H240.08 N16.08 O40.16 -","8","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.1108","0.0732","","","0.1914","0.2187","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502211","18.3457","0.0009","24.3333","0.0012","24.9713","0.0012","90","","90","","90","","11147.5","0.9","173","2","173","2","","","","","","","chemical synthesis","4","C 2 2 21","C 2c 2","20","","cyclobis[7-O-(4-pentenoyl)chenodeoxycholate] chloroform-acetone solvate","","- C59.95 H91.375 Cl1.575 O8.475 -","- C59.95 H91.375 Cl1.575 O8.475 -","- C479.6 H731 Cl12.6 O67.8 -","8","1","","Bai, Xinyan; Barnes, Charles; Pascal, Jr, Robert A; Chen, Xueyi; Dias, Jerry Ray","Bile acid-based cage compounds with lipophilic outer shells and inner cavities.","Organic letters","2011","13","12","3064","3067","10.1021/ol200953h","","","0.71073","MoKα","","0.1299","0.0614","","","0.1296","0.1637","","","","1.127","1.127","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503325","7.61","0.0007","16.8437","0.0015","13.2376","0.0012","90","","90","","90","","1696.8","0.3","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H18 Cl2 Pd -","- C20 H18 Cl2 Pd -","- C80 H72 Cl8 Pd4 -","4","0.5","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.0244","0.0229","","","0.0485","0.049","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503928","6.1208","0.0007","9.984","0.002","17.437","0.002","90","","90","","90","","1065.6","0.3","100","2","100","2","","","","","","","synthesis","3","C 2 2 21","C 2c 2","20","all-anti-Pentatetrahydrofuran","all-anti-2,3,4-5-Tetrakis(tetrahydrofuro)furan","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","0.5","","Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.","anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.","Organic letters","2009","11","11","2317","2320","10.1021/ol900694m","","","0.7107","MoKα","","0.0422","0.0293","","","","0.0379","","","","","","1.6922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504482","11.6384","0.0008","18.8748","0.0013","23.44","0.0017","90","","90","","90","","5149.1","0.6","149","2","149","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C32 H29 N3 O2 -","- C32 H29 N3 O2 -","- C256 H232 N24 O16 -","8","1","","Gerstenberger, Brian S.; Lin, Jinzhen; Mimieux, Yvette S.; Brown, Lauren E.; Oliver, Allen G.; Konopelski, Joseph P.","Structural characterization of an enantiomerically pure amino acid imidazolide and direct formation of the beta-lactam nucleus from an alpha-amino acid.","Organic letters","2008","10","3","369","372","10.1021/ol7025922","","","0.71073","MoKα","","0.0438","0.0366","","","0.0799","0.0842","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505226","13.491","0.003","15.501","0.003","21.975","0.004","90","","90","","90","","4595.5","1.6","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","(1S,4R,5R,8S,9S,10R,13S,14S,16S,17S)-11-ethyl-16-methoxy-13- (methoxymethyl)-11-azahexacy-clo[7.7.2.12,5.01,10.03,8.013,17] nonadecane-4,5,8,14,17-pentaol","","- C24 H39 N O8 -","- C24 H39 N O8 -","- C192 H312 N8 O64 -","8","1","","Gao, Feng; Chen, Qiao-Hong; Wang, Feng-Peng","C19-diterpenoid alkaloids from Aconitum hemsleyanum var. circinatum.","Journal of natural products","2007","70","5","876","879","10.1021/np0700117","","","0.71073","MoKα","","0.0411","0.0391","","","0.1508","0.164","","","","","","1.58","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505697","12.905","0.002","21.344","0.004","5.1279","0.001","90","","90","","90","","1412.5","0.4","150","2","150","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- F1.28 O48 Si24 -","- F1.28 O48 Si24 -","- F1.28 O48 Si24 -","1","0.125","","Burton, Allen; Darton, Richard J.; Davis, Mark E.; Hwang, Song-Jong; Morris, Russell E.; Ogino, Isao; Zones, Stacey I.","Structure-directing agent location and non-centrosymmetric structure of fluoride-containing zeolite SSZ-55.","The journal of physical chemistry. B","2006","110","11","5273","5278","10.1021/jp054950o","","","0.6897","synchrotron","","0.0403","0.0388","","","0.1079","0.1085","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506489","7.338","0.007","15.567","0.017","23.86","0.02","90","","90","","90","","2726","5","","","295","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","1","","Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.","Synthesis of an analogue of the marine polypropionate tridachiahydropyrone.","Organic letters","2005","7","3","407","409","10.1021/ol0478178","","","0.71073","MoKα","","0.2614","0.1136","","","0.2152","0.2849","","","","","","0.93","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507038","4.776","0.001","13.918","0.003","14.7","0.003","90","","90","","90","","977.1","0.4","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C10 H4 S4 -","- C10 H4 S4 -","- C40 H16 S16 -","4","0.5","","Nenajdenko, Valentine G.; Sumerin, Viktor V.; Chernichenko, Konstantin Yu; Balenkova, Elizabeth S.","A new route to annulated oligothiophenes.","Organic letters","2004","6","20","3437","3439","10.1021/ol048835s","","","0.71073","MoKα","","0.035","0.027","","","0.0671","0.0686","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507066","15.5481","0.0017","26.735","0.003","27.74","0.003","90","","90","","90","","11531","2","110","2","110","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C46.5 H69 Cl3 N6 O14.5 Zn3 -","- C46.5 H69 Cl3.005 N6 O14.5 Zn3 -","- C372 H552 Cl24.04 N48 O116 Zn24 -","8","1","","Gao, Jian; Zingaro, Ralph A.; Reibenspies, Joseph H.; Martell, Arthur E.","Direct observation of enantioselective synergism at trimetallic centers.","Organic letters","2004","6","14","2453","2455","10.1021/ol049156k","","","0.71073","MoKα","","0.1586","0.0857","","","0.1911","0.2239","","","","","","1.034","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507468","12.621","0.004","22.358","0.004","23.335","0.007","90","","90","","90","","6585","3","173","2","173","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C64 H89 Cl6 N5 O8 -","- C64 H89 Cl6 N5 O8 -","- C256 H356 Cl24 N20 O32 -","4","0.5","","Falábu, Dezsö; Shivanyuk, Alexander; Nissinen, Maija; Rissanen, Kari","Complexation of Small Molecules by Open-Ended Resorcarene Hosts","Organic Letters","2002","4","18","3019","","10.1021/ol026142a","","","0.71073","MoKα","","0.1247","0.0621","","","0.1565","0.1772","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507713","12.772","0.001","18.1424","0.0015","17.4735","0.0014","90","","90","","90","","4048.9","0.6","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H21.5 Br0.5 F2 N3 O -","- C23 H21.5 Br0.5 F2 N3 O -","- C184 H172 Br4 F16 N24 O8 -","8","1","","Schönherr, Heike; Leighton, James L.","Direct and highly enantioselective iso-Pictet-Spengler reactions with α-ketoamides: access to underexplored indole core structures.","Organic letters","2012","14","10","2610","2613","10.1021/ol300922b","","","0.71073","MoKα","","0.0877","0.05","","","0.115","0.1332","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508093","16.861","0.003","32.059","0.006","29.48","0.006","90","","90","","90","","15935","5","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","cage3b-catenane","","","- C73.5 H87 Cl15 N12 -","- C68.5 H77 Cl5 N12 -","- C548 H616 Cl40 N96 -","8","1","","Hasell, Tom; Wu, Xiaofeng; Jones, James T. A.; Bacsa, John; Steiner, Alexander; Mitra, Tamoghna; Trewin, Abbie; Adams, Dave J.; Cooper, Andrew I.","Triply interlocked covalent organic cages.","Nature chemistry","2010","2","9","750","755","10.1038/nchem.739","","","0.71073","MoKα","","0.1267","0.1006","","","0.2551","0.2815","","","","","","1.001","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1508103","13.4168","0.001","37.385","0.003","27.8719","0.0017","90","","90","","90","","13980.2","1.8","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C100 H108 Cl F24 N4 O20 P4 S8 -","- C100 H108 Cl F24 N4 O20 P4 S8 -","- C400 H432 Cl4 F96 N16 O80 P16 S32 -","4","0.5","","Spruell, Jason M.; Coskun, Ali; Friedman, Douglas C.; Forgan, Ross S.; Sarjeant, Amy A.; Trabolsi, Ali; Fahrenbach, Albert C.; Barin, Gokhan; Paxton, Walter F.; Dey, Sanjeev K.; Olson, Mark A.; Benítez, Diego; Tkatchouk, Ekaterina; Colvin, Michael T.; Carmielli, Raanan; Caldwell, Stuart T.; Rosair, Georgina M.; Hewage, Shanika Gunatilaka; Duclairoir, Florence; Seymour, Jennifer L.; Slawin, Alexandra M. Z.; Goddard, 3rd, William A; Wasielewski, Michael R.; Cooke, Graeme; Stoddart, J. Fraser","Highly stable tetrathiafulvalene radical dimers in [3]catenanes.","Nature chemistry","2010","2","10","870","879","10.1038/nchem.749","","","1.54178","CuKα","","0.1179","0.0888","","","0.2463","0.2673","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508728","10.7653","0.0004","11.5943","0.0004","29.2492","0.001","90","","90","","90","","3650.8","0.2","103","2","103","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","2-Pyrazol-1-yl-1H-indole","","- C11 H9 N3 -","- C11 H9 N3 -","- C176 H144 N48 -","16","2","","Wu, Wen-Bin; Huang, Jing-Mei","Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.","Organic letters","2012","14","23","5832","5835","10.1021/ol302609m","","","0.71073","MoKα","","0.0748","0.0603","","","0.1605","0.1725","","","","","","1.108","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1512214","16.62503","0.00015","17.42571","0.00016","94.3127","0.001","90","","90","","90","","27322.7","0.5","123","0.1","123","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C103 H144 Cl28 N24 O12 -","- C103 H144 Cl28 N24 O12 -","- C824 H1152 Cl224 N192 O96 -","8","1","","Aav, Riina; Shmatova, Elena; Reile, Indrek; Borissova, Maria; Topić, Filip; Rissanen, Kari","New Chiral Cyclohexylhemicucurbit[6]uril","Organic Letters","2013","15","14","3786","","10.1021/ol401766a","","","1.54184","CuKα","","0.0897","0.0847","","","0.2134","0.2162","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513052","5.6469","0.0011","14.472","0.003","28.247","0.006","90","","90","","90","","2308.4","0.8","198","2","198","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H16 N O3 -","- C12 H16 N O3 -","- C96 H128 N8 O24 -","8","1","","Ivanova, Bojidarka; Spiteller, Michael","Salts of aromatic amines: Crystal structures, spectroscopic and non-linear optical properties","Spectrochimica Acta Part A","2010","77","","849","","10.1016/j.saa.2010.08.017","","","0.71073","MoKα","","0.0463","0.039","","","0.112","0.1246","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513168","8.0606","0.0007","14.6983","0.0016","23.782","0.002","90","","90","","90","","2817.6","0.5","300","2","300","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H16 N2 O7 -","- C10 H16 N2 O7 -","- C80 H128 N16 O56 -","8","1","","Ivanova, Bojidarka; Spiteller, Michael","Noncentrosymmetric Crystals with Marked Nonlinear Optical Properties","Journal of Physical Chemistry A","2010","114","","5099","5103","10.1021/jp1002758","","","0.71073","MoKα","","0.0583","0.0477","","","0.1532","0.1638","","","","","","1.309","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513533","12.9248","0.0019","15.416","0.002","39.31","0.006","90","","90","","90","","7832.5","1.9","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C68 H92 N4 O25 S4 -","- C68 H92 N4 O25 S4 -","- C272 H368 N16 O100 S16 -","4","0.5","","Brawn, Ryan A.; Zhu, Kaicheng; Panek, James S.","Rhodium(II)-catalyzed alkyne amination of homopropargylic sulfamate esters: stereoselective synthesis of functionalized norcaradienes by arene cyclopropanation.","Organic letters","2014","16","1","74","77","10.1021/ol403035g","","","1.54178","CuKα","","0.0392","0.0374","","","0.0879","0.0884","","","","","","1.106","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514483","14.073","0.003","21.02","0.004","19.083","0.004","90","","90","","90","","5645","2","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","[Cl2iPr2Cu]2(u-S(CH2)3S)","","","- C57 H74 Cl4 Cu2 N4 S2 -","- C57 H74 Cl4 Cu2 N4 S2 -","- C228 H296 Cl16 Cu8 N16 S8 -","4","0.5","","Zhang, Shiyu; Warren, Timothy H.","Three coordinate models for the binuclear CuA electron-transfer site","Chemical Science","2013","4","4","1786","","10.1039/c3sc21936d","","","0.71073","MoKα","","0.1098","0.0686","","","0.1225","0.1342","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515169","18.9708","0.0007","25.2751","0.0007","26.5778","0.0007","90","","90","","90","","12743.8","0.7","180","2","180","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C108 H168 N12 -","- C108 H168 N12 -","- C432 H672 N48 -","4","0.5","","Giri, Nicola; Davidson, Christine E.; Melaugh, Gavin; Del Pópolo, Mario G.; Jones, James T. A.; Hasell, Tom; Cooper, Andrew I.; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Alkylated organic cages: from porous crystals to neat liquids","Chemical Science","2012","3","6","2153","","10.1039/c2sc01007k","","","0.71073","MoKα","","0.1668","0.1426","","","0.3419","0.3583","","","","","","1.427","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515277","6.7453","0.0001","25.6806","0.0005","25.6822","0.0005","90","","90","","90","","4448.76","0.14","170","","170","","","","","","","","Synthesized by the authors. See text","5","C 2 2 21","C 2c 2","20","","","","- C24 H70 N6 O30 S2 -","- C24 H70 N6 O30 S2 -","- C96 H280 N24 O120 S8 -","4","0.5","","Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît","Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants","Chemical Science","2012","3","1","249","","10.1039/c1sc00538c","","","1.54178","CuKα","","0.035","0.0335","","","0.1016","0.103","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515758","9.877","0.0011","12.0636","0.0014","27.244","0.003","90","","90","","90","","3246.2","0.6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Cl F O2 -","- C18 H16 Cl F O2 -","- C144 H128 Cl8 F8 O16 -","8","1","","Li, Yi; Xu, Ming-Hua","Rhodium-catalyzed asymmetric tandem cyclization for efficient and rapid access to underexplored heterocyclic tertiary allylic alcohols containing a tetrasubstituted olefin.","Organic letters","2014","16","10","2712","2715","10.1021/ol500993h","","","0.71073","MoKα","","0.0438","0.0373","","","0.0881","0.0913","","","","","","1.27","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517033","8.4667","0.0007","16.5199","0.0008","24.2164","0.0014","90","","90","","90","","3387.1","0.4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C19.5 H12 Co1.5 N4.5 -","- C19.5 H12 Co1.5 N4.5 -","- C156 H96 Co12 N36 -","8","1","","Bin Yuan; Min Min Yue; Ying Wang; Ju Yan Liu; Bin Ding; Xiao Jun Zhao","Cyano-bridged assemblies induced by positive ions: Hydrothermal syntheses, crystal and powder X-ray structures, and magnetic properties","Inorganica Chimica Acta","2013","402","","1","5","","","","0.71073","MoKα","","0.1036","0.0925","","","0.2456","0.2598","","","","","","1.001","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517140","18.434","0.003","18.468","0.003","24.873","0.004","90","","90","","90","","8468","2","110","2","110","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C48 H52 N2 O4 Ti -","- C48 H52 N2 O4 Ti -","- C384 H416 N16 O32 Ti8 -","8","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71073","MoKα","","0.0307","0.0292","","","0.0644","0.065","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517983","26.0015","0.0012","26.4029","0.0011","30.8305","0.0011","90","","90","","90","","21165.6","1.5","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C57 H49.5 Eu N6 O11.5 -","- C57 H49.5 Eu N6 O11.5 -","- C912 H792 Eu16 N96 O184 -","16","2","","Kotova, Oxana; Blasco, Salvador; Twamley, Brendan; O'Brien, John; Peacock, Robert D.; Kitchen, Jonathan A.; Martínez-Calvo, Miguel; Gunnlaugsson, Thorfinnur","The application of chiroptical spectroscopy (circular dichroism) in quantifying binding events in lanthanide directed synthesis of chiral luminescent self-assembly structures","Chem. Sci.","2015","6","1","457","","10.1039/C4SC02474E","","","1.54178","CuKα","","0.1512","0.0834","","","0.2161","0.2618","","","","","","1.009","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1520274","7.4019","0.0002","15.8155","0.0003","26.8034","0.0004","90","","90","","90","","3137.73","0.11","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C136 H168 N8 O32 -","8","1","","Coles, Simon J.; Hursthouse, Michael B.; Motherwell, W.","C17H21NO4","Crystal Structure Report Archive","2008","","","416","","","","","0.71073","MoKα","","0.0375","0.0339","","","0.0763","0.0784","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525169","10.4762","","7.4237","","7.4522","","90","","90","","90","","579.574","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Y3 Ta O7","","- O7 Ta Y3 -","- O7 Ta Y3 -","- O28 Ta4 Y12 -","4","0.5","","Rossell, H.J.","Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta","Journal of Solid State Chemistry","1979","27","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525170","10.5172","","7.4527","","7.4806","","90","","90","","90","","586.341","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Y2 Gd Sb O7","","- Gd O7 Sb Y2 -","- Gd O7 Sb Y2 -","- Gd4 O28 Sb4 Y8 -","4","0.5","","Rossell, H.J.","Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta","Journal of Solid State Chemistry","1979","27","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526254","11.426","","11.023","","16.725","","90","","90","","90","","2106.49","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Rb2 Cd (Si O4)","","- Cd O4 Rb2 Si -","- Cd O4 Rb2 Si -","- Cd16 O64 Rb32 Si16 -","16","2","","Hansing, J.; Moeller, A.","Rb2 Cd Si O4 : synthesis and crystal structure","Journal of Solid State Chemistry","2001","162","","214","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530304","5.71","","9.18","","7.03","","90","","90","","90","","368.497","","","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Na Ca H Si O4","","- Ca H Na O4 Si -","- Ca Na O4 Si -","- Ca4 Na4 O16 Si4 -","4","0.5","","Ljutin, V.I.; Kazak, V.F.; Ilyukhin, V.V.; Belov, H.V.","Crystal structure of Na Ca H Si O4","Doklady Akademii Nauk SSSR","1972","205","","582","584","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530369","11.303","","8.648","","7.397","","90","","90","","90","","723.045","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","La P3 O9","","- La O9 P3 -","- La O9 P3 -","- La4 O36 P12 -","4","0.5","","Matuszewski, J.; Kropiwnicka, J.; Znamierowska, T.","The Crystal Structure of Lanthanum Metaphosphate La P3 O9","Journal of Solid State Chemistry","1988","75","","285","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530729","11.5915","","15.4967","","7.4029","","90","","90","","90","","1329.78","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Th2 Ta2 O9","","- O9 Ta2 Th2 -","- O9 Ta2 Th2 -","- O72 Ta16 Th16 -","8","1","","Schmidt, G.; Gruehn, R.","Darstellung und Struktur von Th2 Ta2 O9","Journal of the Less-Common Metals","1989","156","","75","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","155927","2020-10-21","18:00:00",""
"1530858","11.313","","20.163","","23.877","","90","","90","","90","","5446.44","","","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Mg (U O2)6 (Mo O4)7 (H2 O)14","","- H28 Mg Mo7 O54 U6 -","- Mg Mo7 O54 U6 -","- Mg4 Mo28 O216 U24 -","4","0.5","","Tabachenko, V.V.; Kovba, L.M.; Serezhkin, V.N.","Crystal structures of Mg (U O2)6 (Mo O4)7 (H2 O)18 and Sr (U O2)6 (Mo O4)7 (H2 O)15","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","558","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530859","11.166","","20.281","","24.061","","90","","90","","90","","5448.8","","","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Sr (U O2)6 (Mo O4)7 (H2 O)19","","- H38 Mo7 O59 Sr U6 -","- Mo7 O59 Sr U6 -","- Mo28 O236 Sr4 U24 -","4","0.5","","Tabachenko, V.V.; Kovba, L.M.; Serezhkin, V.N.","Crystal structures of Mg (U O2)6 (Mo O4)7 (H2 O)18 and Sr (U O2)6 (Mo O4)7 (H2 O)15","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1984","10","","558","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532548","7.0843","","7.0823","","6.9989","","90","","90","","90","","351.157","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al4 O16 P4 -","4","0.5","","Achary, S.N.; Jayakumar, O.D.; Tyagi, A.K.; Kulshreshtha, S.K.","Preparation, phase transition and thermal expansion studies on low-cristobalite type Al1-x Gax P O4 (x = 0.0, 0.20, 0.50, 0.80 and 1.00)","Journal of Solid State Chemistry","2003","176","","37","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532551","7.0529","","7.0558","","6.9551","","90","","90","","90","","346.113","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","(Al0.8 Ga0.2) (P O4)","","- Al0.8 Ga0.2 O4 P -","- Al0.8 Ga0.2 O4 P -","- Al3.2 Ga0.8 O16 P4 -","4","0.5","","Achary, S.N.; Tyagi, A.K.; Jayakumar, O.D.; Kulshreshtha, S.K.","Preparation, phase transition and thermal expansion studies on low-cristobalite type Al1-x Gax P O4 (x = 0.0, 0.20, 0.50, 0.80 and1.00)","Journal of Solid State Chemistry","2003","176","","37","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532554","7.0295","","7.0173","","6.9217","","90","","90","","90","","341.434","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","(Al0.5 Ga0.5) (P O4)","","- Al0.5 Ga0.5 O4 P -","- Al0.5 Ga0.5 O4 P -","- Al2 Ga2 O16 P4 -","4","0.5","","Achary, S.N.; Jayakumar, O.D.; Tyagi, A.K.; Kulshreshtha, S.K.","Preparation, phase transition and thermal expansion studies on low-cristobalite type Al1-x Gax P O4 (x = 0.0, 0.20, 0.50, 0.80 and1.00)","Journal of Solid State Chemistry","2003","176","","37","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532557","6.9968","","6.9794","","6.8884","","90","","90","","90","","336.384","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","(Al0.2 Ga0.8) (P O4)","","- Al0.2 Ga0.8 O4 P -","- Al0.2 Ga0.8 O4 P -","- Al0.8 Ga3.2 O16 P4 -","4","0.5","","Achary, S.N.; Kulshreshtha, S.K.; Tyagi, A.K.; Jayakumar, O.D.","Preparation, phase transition and thermal expansion studies on low-cristobalite type Al1-x Gax P O4 (x = 0.0, 0.20, 0.50, 0.80 and1.00)","Journal of Solid State Chemistry","2003","176","","37","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532560","6.9876","","6.9624","","6.8774","","90","","90","","90","","334.589","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Ga (P O4)","","- Ga O4 P -","- Ga O4 P -","- Ga4 O16 P4 -","4","0.5","","Achary, S.N.; Jayakumar, O.D.; Tyagi, A.K.; Kulshreshtha, S.K.","Preparation, phase transition and thermal expansion studies on low-cristobalite type Al1-x Gax P O4 (x = 0.0, 0.20, 0.50, 0.80 and1.00)","Journal of Solid State Chemistry","2003","176","","37","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532955","11.234","","8.5289","","7.3199","","90","","90","","90","","701.346","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Pr (P O3)3","","- O9 P3 Pr -","- O9 P3 Pr -","- O36 P12 Pr4 -","4","0.5","","Jouini, A.; Ferid, M.; Gacon, J.C.; Grosvalet, L.; Thozet, A.; Trabelsi-Ayadi, M.","Crystal structure and optical study of praseodymium polyphosphate Pr (P O3)3","Materials Research Bulletin","2003","38","","1613","1622","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533026","5.845","","10.145","","24.163","","90","","90","","90","","1432.81","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Ba5 Na2 (Ru2 O9) (Ru O5)","","- Ba5 Na2 O14 Ru3 -","- Ba5 Na2 O14 Ru3 -","- Ba20 Na8 O56 Ru12 -","4","0.5","","Quarez, E.; Mentre, O.","Electrosynthesis, structural transitions and characterization of the new 10H-(Ba5 Ru3 Na2 O14)","Solid State Sciences","2003","5","","1105","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","159104","2020-10-21","18:00:00",""
"1533442","7.1023","","7.0956","","7.0146","","90","","90","","90","","353.501","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al4 O16 P4 -","4","0.5","","Graetsch, H.A.","Thermal expansion and thermally induced variations of the crystal structure of Al P O4 low crystobalite","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","2003","2003","","289","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533778","10.561","","7.4613","","7.4567","","90","","90","","90","","587.579","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Dy3 O (Re O6)","","- Dy3 O7 Re -","- Dy3 O7 Re -","- Dy12 O28 Re4 -","4","0.5","","Hinatsu, Y.; Taira, N.; Wakeshima, M.; Kawabuchi, N.","Structures and magnetic properties of rare earth rhenium oxides Ln3 Re O7 (Ln = Gd, Tb and Dy)","Journal of Alloys Compd.","2004","374","","79","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533849","6.179","","9.877","","4.7898","","90","","90","","90","","292.321","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Ti3 Sn D0.8","","- D0.8 Sn Ti3 -","- D0.804 Sn Ti3 -","- D3.216 Sn4 Ti12 -","4","0.5","","Vennstrom, M.; Grechnev, A.; Eriksson, O.; Andersson, Y.","Phase relations in the (Ti3 Sn) - D system","Journal of Alloys Compd.","2004","364","","127","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534520","9.8757","","12.8854","","11.9192","","90","","90","","90","","1516.75","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Rb Al3 (P3 O10)2","","- Al3 O20 P6 Rb -","- Al3 O20 P6 Rb -","- Al12 O80 P24 Rb4 -","4","0.5","","Lesage, J.; Guesdon, A.; Raveau, B.","Two aluminotriphosphates with closely related intersecting tunnel structures involving tetrahedral ""AlP"" chains and layers : A Al3 (P3 O10)2, A = Rb, Cs","Journal of Solid State Chemistry","2005","178","","1212","1220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534924","7.88","","12.215","","10.292","","90","","90","","90","","990.648","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Ba Nb2 O6 -","- Ba Nb2 O6 -","- Ba8 Nb16 O48 -","8","1","","Sirotinkin, V.P.; Sirotinkin, S.P.","Structure of high temperature modification of Ba Nb2 O6","Zhurnal Neorganicheskoi Khimii","1990","35","","2189","2191","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536895","16.215","","28.085","","12.7","","90","","90","","90","","5783.56","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Cs (Bi2 F7)","","- Bi2 Cs F7 -","- Bi2 Cs F7 -","- Bi64 Cs32 F224 -","32","4","","Rastsvetaeva, R.K.; Butashin, A.V.; Maksimov, B.A.; Kaminskii, A.A.; Golubev, A.M.","Synthesis, crystal structure and some properties of Cs Bi2 F7 : (Nd 3+)","Kristallografiya","1996","41","","444","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537060","11.533","","17.06979","","17.05399","","90","","90","","90","","3357.35","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","La3 Br3 C2","","- C2 Br3 La3 -","- C2 Br3 La3 -","- C32 Br48 La48 -","16","2","","Zheng, C.; Oeckler, O.; Mattausch, H.J.; Simon, A.","La3 X3 Z - compounds with condensed La6 Z octahedra helically connected in three dimensions","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","2151","2162","","","","","","","","","","","","","","","","","","","","","","has coordinates","165036","2020-10-21","18:00:00",""
"1539131","5.005","","10.213","","5.53","","90","","90","","90","","282.672","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- Fe P4 -","- Fe P4 -","- Fe4 P16 -","4","0.5","","Sugitani, M.; Kinomura, N.; Koizumi, M.; Kume, S.","Preparation and properties of a new iron phosphide Fe P4","Journal of Solid State Chemistry","1978","26","","195","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539621","11.955","","10.374","","17.36","","90","","90","","90","","2153.01","","","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Y (N H4) (P O3)4","","- H4 N O12 P4 Y -","- N O12 P4 Y -","- N8 O96 P32 Y8 -","8","1","","Bagieu-Beucher, M.; Guitel, J.C.","Crystal structure of the yttrium-ammonium polyphosphate Y (N H4) (P O3)4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1988","559","","123","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540210","11.75","","10.325","","17.31","","90","","90","","90","","2100.03","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","K Er (P4 O12)","","- Er K O12 P4 -","- Er K O12 P4 -","- Er8 K8 O96 P32 -","8","1","","Karpov, O.G.; Dorokhova, G.I.","Crystal structure of a new polymorphic modification of K Er P4 O12","Kristallografiya","1989","34","","1006","1008","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540425","6.8797","0.0009","17.32","0.002","26.023","0.003","90","","90","","90","","3100.8","0.6","295","","295","","","","","","","","","4","C 2 2 21","C 2c 2","20","","(R,E)-4-methyl-2-((4-methyl-5-oxo-2,5- dihydrofuran-2-yloxy)methylene-1,2-dihydrocyclopenta[b]indol-3(4H)-one'","","- C18 H14 N O4 -","- C18 H14 N O4 -","- C144 H112 N8 O32 -","8","1","","Artuso, Emma; Ghibaudi, Elena; Lace, Beatrice; Marabello, Domenica; Vinciguerra, Daniele; Lombardi, Chiara; Koltai, Hinanit; Kapulnik, Yoram; Novero, Mara; Occhiato, Ernesto G.; Scarpi, Dina; Parisotto, Stefano; Deagostino, Annamaria; Venturello, Paolo; Mayzlish-Gati, Einav; Bier, Ariel; Prandi, Cristina","Stereochemical Assignment of Strigolactone Analogues Confirms Their Selective Biological Activity.","Journal of natural products","2015","78","11","2624","2633","10.1021/acs.jnatprod.5b00557","","x-ray","1.54184","CuKα","","0.0774","0.0566","","","0.1472","0.1828","","","","","","1.093","","","","has coordinates","170804","2020-10-21","18:00:00",""
"1541717","8.7854","","23.9393","","18.027","","90","","90","","90","","3791.37","","","","","","","","","","","","","7","C 2 2 21","C 2c 2","20","","Cs5 (Cl9 O3 (Nb (C N))6) (H2 O)4","","- C6 H8 Cl9 Cs5 N6 Nb6 O7 -","- C6 Cl9 Cs4.98 N6 Nb6 O6.92 -","- C24 Cl36 Cs19.92 N24 Nb24 O27.68 -","4","0.5","","Naumov, N.G.; Cordier, S.; Perrin, C.","Two (Nb6 Cl9 O3 (C N)6)(5-) isomer anions in two Nb6 cluster oxyhalides: Cs5 (Nb6 Cl9 O3 (C N)6) * 4(H2 O) and (Me4 N)5 (Nb6 Cl9 O3 (C N)6) * 5(H2 O)","Angew. Chem. Int. ed.","2002","41","","3002","3004","","","","","","","","","","","","","","","","","","","","","","has coordinates","173164","2020-10-21","18:00:00",""
"1543773","11.0841","0.0002","20.46","0.0004","12.6447","0.0002","90","","90","","90","","2867.57","0.09","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C15 H19 O5.5 -","- C15 H19 O5.5 -","- C120 H152 O44 -","8","1","","Zhou, Xue-Ming; Zheng, Cai-Juan; Gan, Li-She; Chen, Guang-Ying; Zhang, Xiao-Peng; Song, Xiao-Ping; Li, Gao-Nan; Sun, Chong-Ge","Bioactive Phenanthrene and Bibenzyl Derivatives from the Stems of Dendrobium nobile.","Journal of natural products","2016","79","7","1791","1797","10.1021/acs.jnatprod.6b00252","","","1.54184","CuKα","","0.0345","0.0336","","","0.0918","0.0926","","","","","","1.021","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1544266","11.8914","0.0007","12.9438","0.0007","15.3741","0.0009","90","","90","","90","","2366.4","0.2","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","C4","","- C20 H26 Cl2 Co N4 -","- C20 H26 Cl2 Co N4 -","- C80 H104 Cl8 Co4 N16 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","1.54178","CuKα","","0.0661","0.0633","","","0.1615","0.164","","","","","","1.069","","","","has coordinates,has disorder","187242","2020-10-21","18:00:00",""
"1544270","11.2962","0.0006","13.9276","0.0008","14.5394","0.0009","90","","90","","90","","2287.5","0.2","108","2","108","2","","","","","","","","6","C 2 2 21","C 2c 2","20","[Co(DMPDP)Cl2]","","","- C22 H32 Cl2 Co N4 O -","- C22 H32 Cl2 Co N4 O -","- C88 H128 Cl8 Co4 N16 O4 -","4","0.5","","Wang, Feng; Cao, Bei; To, Wai-Pong; Tse, Chun-Wai; Li, Kai; Chang, Xiao-Yong; Zang, Chao; Chan, Sharon Lai-Fung; Che, Chi-Ming","The effects of chelating N4ligand coordination on Co(ii)-catalysed photochemical conversion of CO2to CO: reaction mechanism and DFT calculations","Catal. Sci. Technol.","2016","6","20","7408","","10.1039/C6CY01265E","","","0.71073","MoKα","","0.0171","0.0168","","","0.0437","0.0438","","","","","","1.092","","","","has coordinates","187242","2020-10-21","18:00:00",""
"1546337","9.2657","0.0011","29.63","0.004","19.311","0.003","90","","90","","90","","5301.7","1.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C43 H58 F6 N4 O6 Pd2 -","- C43 H58 F6 N4 O6 Pd2 -","- C172 H232 F24 N16 O24 Pd8 -","4","0.5","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0899","0.065","","","0.14","0.149","","","","","","1.05","","","","has coordinates,has disorder","197897","2020-10-21","18:00:00",""
"1547076","12.9849","0.0003","18.5848","0.0006","26.1432","0.0007","90","","90","","90","","6308.9","0.3","123","","123","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C28 H54 B Fe N O2 P2 -","- C28 H54 B Fe N O2 P2 -","- C224 H432 B8 Fe8 N8 O16 P16 -","8","1","","Nakajima, Kazunari; Kato, Takeru; Nishibayashi, Yoshiaki","Hydroboration of Alkynes Catalyzed by Pyrrolide-Based PNP Pincer-Iron Complexes.","Organic letters","2017","19","16","4323","4326","10.1021/acs.orglett.7b01995","","","0.71075","MoKα","","0.1209","0.066","","","0.1408","0.152","","","","","","1","","","","has coordinates","200594","2020-10-21","18:00:00",""
"1548363","18.702","0.004","36.975","0.007","28.652","0.006","90","","90","","90","","19813","7","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C100 H100 Ag15 Cl4 N4 O10 P12 -","- C104 H90.6667 Ag10 Cl2.66667 N2.66667 P8 -","- C624 H544 Ag60 Cl16 N16 P48 -","6","0.75","","Shen, Xue-Tao; Ma, Xue-Li; Ni, Qing-Ling; Ma, Meng-Xia; Gui, Liu-Cheng; Hou, Cheng; Hou, Ruo-Bing; Wang, Xiu-Jian","[Ag<sub>15</sub>(N-triphos)<sub>4</sub>(Cl<sub>4</sub>)](NO<sub>3</sub>)<sub>3</sub>: a stable Ag-P superatom with eight electrons (N-triphos = tris((diphenylphosphino)methyl)amine).","Nanoscale","2018","10","2","515","519","10.1039/c7nr07308a","","","0.72","","","0.1828","0.1632","","","0.4575","0.4802","","","","","","3.608","","","","has coordinates","230150","2020-10-21","18:00:00",""
"1548708","17.455","0.005","47.542","0.013","27.414","0.008","90","","90","","90","","22749","11","163","2","163","2","","","","","","","","5","C 2 2 21","C 2c 2","20","tap003","","","- C54 H64 Ho N14 O16 -","- C54 H64 Ho N14 O16 -","- C432 H512 Ho8 N112 O128 -","8","1","","Ga-Lai Law; Tiffany A. Pham; Jide Xu; Kenneth N. Raymond","A Single Sensisitizer for the Excitation of Visible and NIR Lanthanide Emitters (Sm, Eu, Tb, Dy and Ho) in Water with High Quantum Yields","Angewandte Chemie Int. Ed. Engl","2012","51","","2371","2374","10.1002/anie.201106748","","","0.71073","MoKα","","0.0422","0.0367","","","0.0913","0.093","","","","","","1.078","","","","has coordinates,has disorder","205328","2020-10-21","18:00:00",""
"1549010","7.8136","0.0004","22.8068","0.0011","65.613","0.005","90","","90","","90","","11692.4","1.2","293","","293","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C41 H64 O9 -","- C41 H64 O9 -","- C492 H768 O108 -","12","1.5","","Remy, Simon; Olivon, Florent; Desrat, Sandy; Blanchard, Florent; Eparvier, Véronique; Leyssen, Pieter; Neyts, Johan; Roussi, Fanny; Touboul, David; Litaudon, Marc","Structurally Diverse Diterpenoids from Sandwithia guyanensis","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b01025","","","1.54178","CuKα","","0.1997","0.0795","","","0.1422","0.1907","","","","","","0.944","","","","has coordinates,has disorder","206734","2020-10-21","18:00:00",""
"1549172","24.662","0.003","37.18","0.005","8.7826","0.0012","90","","90","","90","","8053.1","1.8","120","","120","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C19 H22.75 N2 O4.38 Zn -","- C19 H22.75 N2 O4.375 Zn -","- C304 H364 N32 O70 Zn16 -","16","2","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.1123","0.0646","","","0.1268","0.1497","","","","","","1.014","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549408","12.7206","0.0003","36.0918","0.0007","22.8341","0.0004","90","","90","","90","","10483.3","0.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C112 H88 Co N8 O8 -","- C112 H88 Co N8 O8 -","- C448 H352 Co4 N32 O32 -","4","0.5","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0432","0.0359","","","0.0826","0.0854","","","","","","0.969","","","","has coordinates,has disorder","228653","2020-10-21","18:00:00",""
"1549991","10.7818","0.0004","7.6197","0.0003","7.6556","0.0003","90","","90","","90","","628.94","0.04","","","1073","","","","","","","","","3","C 2 2 21","C 2c 2","20","Sm3TaO7 at 1073 K","","","- O7 Sm3 Ta -","- O7 Sm3 Ta -","- O28 Sm12 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1073 K","Journal of the Ceramic Society of Japan","2018","126","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","211265","2020-10-21","18:00:00",""
"1549992","10.7488","0.0003","7.6036","0.0002","7.6521","0.0002","90","","90","","90","","625.4","0.03","","","973","","","","","","","","","4","C 2 2 21","C 2c 2","20","(Sm0.8Eu0.2)3NbO7 at 973 K","","","- Eu0.6 Nb O7 Sm2.4 -","- Eu0.6 O7 Sm2.4 Ta -","- Eu2.4 O28 Sm9.6 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 973 K","Journal of the Ceramic Society of Japan","2018","126","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","211266","2020-10-21","18:00:00",""
"1550172","10.4422","0.0005","7.4149","0.0006","7.4123","0.0004","90","","90","","90","","573.92","0.06","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","Yb3ReO7","","","- O7 Re Yb3 -","- O7 Re Y3 -","- O28 Re4 Y12 -","4","0.5","","Inabayashi, M.; Doi, Y.; Wakeshima, M.; Hinatsu, Y.","Magnetic properties of rare earth rhenium oxides Ln3ReO7 (Ln = Y, Er-Lu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2018","126","","920","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","211755","2020-10-21","18:00:00",""
"1551021","10.825","0.0004","7.6099","0.0003","7.6814","0.0003","90","","90","","90","","632.77","0.04","","","298","","","","","","","","","3","C 2 2 21","C 2c 2","20","Nd3TaO7","","","- Nd3 O7 Ta -","- Nd3 O7 Ta -","- Nd12 O28 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Studies on phase transitions of rare earth tantalites (Sm1-xLnx)3TaO7 (Ln = Nd, Eu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2019","127","","273","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","215052","2020-10-21","18:00:00",""
"1551378","7.32208","0.00015","18.4404","0.0004","23.9475","0.0004","90","","90","","90","","3233.44","0.11","100","0.1","100","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong","Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging","Chemical Science","2019","","","","","10.1039/C9SC01035A","","x-ray","1.54184","CuKα","","0.0305","0.0299","","","0.0783","0.079","","","","","","1.027","","","","has coordinates","215901","2020-10-21","18:00:00",""
"1551379","7.306","0.003","18.404","0.008","23.763","0.009","90","","90","","90","","3195","2","170","","170","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C18 H17 N3 S -","- C18 H17 N3 S -","- C144 H136 N24 S8 -","8","1","","Jiang, Huanfeng; He, Dandan; Zhuang, Zeyan; Wang, Xu; Li, Jiawei; Li, Jianxiao; Wu, Wanqing; Zhao, Zujin; Tang, Ben Zhong","Assembly of 1H-Isoindole Derivatives by Selective Carbon-Nitrogen Triple Bond Activation: Access to Aggregation-Induced Emission Fluorophores for Lipid Droplets Imaging","Chemical Science","2019","","","","","10.1039/C9SC01035A","","","0.71073","MoKα","","0.0807","0.0529","","","0.1034","0.1158","","","","","","1.041","","","","has coordinates","215901","2020-10-21","18:00:00",""
"1551518","15.137","0.003","16.265","0.003","28.91","0.005","90","","90","","90","","7118","2","296.15","","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C52 H72 N28 S8 Zn4 -","- C52 H72 N28 S8 Zn4 -","- C208 H288 N112 S32 Zn16 -","4","0.5","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0976","0.0615","","","0.1733","0.1975","","","","","","1.052","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551877","28.3772","0.0019","35.137","0.002","21.3407","0.0013","90","","90","","90","","21279","2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C114.75 H141 N12 -","- C114.695 H102 N12 -","- C917.56 H816 N96 -","8","1","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.1155","0.106","","","0.3005","0.3055","","","","","","2.345","","","","has coordinates,has disorder","216519","2020-10-21","18:00:00",""
"1551960","9.8002","0.0008","11.4061","0.001","30.952","0.003","90","","90","","90","","3459.9","0.5","100","2","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C34.48 H34.96 Cl0.96 O14 -","- C34.478 H34.956 Cl0.956 O14 -","- C137.912 H139.824 Cl3.824 O56 -","4","0.5","","Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr","Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer","Nature Chemistry","2015","7","","234","240","10.1038/nchem.2173","","","1.54178","CuKα","","0.0398","0.0394","","","0.1254","0.1259","","","","","","1.217","","","","has coordinates,has disorder","216724","2020-10-21","18:00:00",""
"1552617","7.7029","0.0013","10.5851","0.0018","43.558","0.007","90","","90","","90","","3551.5","1","273","2","273.15","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C20 H30 O4 -","- C160 H248 O36 -","- C160 H248 O36 -","1","0.125","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","0.71073","MoKα","","0.0881","0.0866","","","0.199","0.1999","","","","","","1.228","","","","has coordinates","222139","2020-10-21","18:00:00",""
"1553213","10.351","0.003","11.942","0.003","26.963","0.006","90","","90","","90","","3332.9","1.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H25 Cl N2 O2 -","- C17 H25 Cl N2 O2 -","- C136 H200 Cl8 N16 O16 -","8","1","","Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng","Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine","Organic Chemistry Frontiers","2016","3","1","62","","10.1039/C5QO00355E","","","0.71073","MoKα","","0.0725","0.0543","","","0.1086","0.1165","","","","","","1.046","","","","has coordinates","233705","2020-10-21","18:00:00",""
"1554270","10.70154","0.00011","27.4281","0.0003","26.4591","0.0003","90","","90","","90","","7766.35","0.15","150","2","150.15","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C78 H96 N4 O22 -","- C78 H96 N4 O22 -","- C312 H384 N16 O88 -","4","0.5","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","x-ray","1.54178","CuKα","","0.0776","0.0757","","","0.2014","0.204","","","","","","1.05","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554666","12.0721","0.0006","17.9566","0.0012","12.2305","0.0006","90","","90","","90","","2651.3","0.3","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C33 H22 N4 O2 -","- C33 H22 N4 O2 -","- C132 H88 N16 O8 -","4","0.5","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.0454","0.0396","","","0.1014","0.1069","","","","","","1.054","","","","has coordinates","238033","2020-10-21","18:00:00",""
"1554669","18.4373","0.0019","25.7446","0.0019","11.6266","0.0007","90","","90","","90","","5518.7","0.8","153","2","153","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C48 H30 F6 N4 O2 -","- C48 H30 F6 N4 O2 -","- C192 H120 F24 N16 O8 -","4","0.5","","Zhao, Na; Gao, Wangwang; Zhang, Min; Yang, Junfang; Zheng, Xiaoyan; Li, Yue; Cui, Rongrong; Yin, Wei; Li, Nan","Regulation of circular dichroism behavior and construction of tunable solid-state circularly polarized luminescence based on BINOL derivatives","Materials Chemistry Frontiers","2019","3","8","1613","","10.1039/C9QM00292H","","","1.54178","CuKα","","0.1107","0.0854","","","0.2191","0.2375","","","","","","1.103","","","","has coordinates","238033","2020-10-21","18:00:00",""
"1554740","17.41181","0.00011","27.6471","0.00016","17.61491","0.00011","90","","90","","90","","8479.57","0.09","100","0.1","100","0.1","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C43 H36 N4 O9 -","- C43 H36 N4 O9 -","- C344 H288 N32 O72 -","8","1","","Liu, Xiong-Li; Gong, Yi; Chen, Shuang; Zuo, Xiong; Yao, Zhen; Zhou, Ying","Bifunctional oxindole-chromone 4C building block directed asymmetric synthesis of bispirocyclic hexahydroxanthones featuring five contiguous stereocenters and two side-by-side oxindoles","Organic Chemistry Frontiers","2019","6","10","1603","","10.1039/C9QO00127A","","x-ray","1.54184","CuKα","","0.0335","0.0331","","","0.0899","0.0905","","","","","","1.057","","","","has coordinates","238091","2020-10-21","18:00:00",""
"1555241","9.5716","0.0005","40.233","0.002","14.5609","0.0008","90","","90","","90","","5607.3","0.5","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C76 H48 O4 -","- C76 H48 O4 -","- C304 H192 O16 -","4","0.5","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","0.71073","MoKα","","0.0375","0.0319","","","0.0901","0.0998","","","","","","1.105","","","","has coordinates","238418","2020-10-21","18:00:00",""
"1555242","9.6233","0.0002","28.1324","0.0004","14.4388","0.0002","90","","90","","90","","3908.97","0.11","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C208 H144 O16 -","8","1","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","1.54178","CuKα","","0.0318","0.0297","","","0.0749","0.0764","","","","","","1.026","","","","has coordinates","238419","2020-10-21","18:00:00",""
"1555243","9.5385","0.0015","16.362","0.003","14.106","0.002","90","","90","","90","","2201.5","0.6","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C26 H18 Br2 O2 -","- C26 H18 Br2 O2 -","- C104 H72 Br8 O8 -","4","0.5","","Chen, Jing-Xing; Han, Jian-Wei; Wong, Henry N. C.","Synthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes.","Organic letters","2015","17","17","4296","4299","10.1021/acs.orglett.5b02102","","","0.71073","MoKα","","0.0562","0.0455","","","0.1026","0.1057","","","","","","0.928","","","","has coordinates","238420","2020-10-21","18:00:00",""
"1555413","11.289","0.003","10.612","0.003","32.425","0.006","90","","90","","90","","3884.5","1.7","173.15","","173.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C21 H17 N O5 S2 -","- C21 H17 N O5 S2 -","- C168 H136 N8 O40 S16 -","8","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0712","0.0696","","","0.1557","0.1564","","","","","","1.171","","","","has coordinates","238636","2020-10-21","18:00:00",""
"1555746","18.3635","0.0008","25.2508","0.0011","9.9745","0.0004","90","","90","","90","","4625.1","0.3","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C43 H52 Cl6 N2 O8 -","- C43 H52 Cl6 N2 O8 -","- C172 H208 Cl24 N8 O32 -","4","0.5","","Garcia, Alfredo; Drown, Bryon S.; Hergenrother, Paul J.","Access to a Structurally Complex Compound Collection via Ring Distortion of the Alkaloid Sinomenine.","Organic letters","2016","18","19","4852","4855","10.1021/acs.orglett.6b02333","","","1.54178","CuKα","","0.0475","0.0471","","","0.1222","0.1226","","","","","","1.095","","","","has coordinates,has disorder","239077","2020-10-21","18:00:00",""
"1555868","20.4233","0.0013","28.5691","0.0018","33.289","0.002","90","","90","","90","","19423","2","173","","173","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C90.5 H69 Br4 Cl5 N4 O8 S4 -","- C90.5 H69 Br4 Cl5 N4 O8 S4 -","- C724 H552 Br32 Cl40 N32 O64 S32 -","8","1","","Arai, Takayoshi; Miyazaki, Tomoya; Ogawa, Hiroki; Masu, Hyuma","PyBidine-Ni(OAc)<sub>2</sub>-Catalyzed Michael/Aldol Reaction of Methyleneindolinones and Thiosalicylaldehydes for Stereochemically Divergent Thiochromanyl-spirooxindoles.","Organic letters","2016","18","22","5824","5827","10.1021/acs.orglett.6b02783","","","0.71073","MoKα","","0.0792","0.0564","","","0.1421","0.1521","","","","","","0.994","","","","has coordinates,has disorder","239193","2020-10-21","18:00:00",""
"1556373","14.2034","0.0007","11.5066","0.0007","14.6836","0.0011","90","","90","","90","","2399.8","0.3","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H24 Br2 Cl2 N4 Ni -","- C19 H24 Br2 Cl2 N4 Ni -","- C76 H96 Br8 Cl8 N16 Ni4 -","4","0.5","","Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James","Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride","Catalysis Science & Technology","2013","3","12","3130","","10.1039/c3cy00334e","","","0.71073","MoKα","","0.0473","0.0445","","","0.1204","0.1225","","","","","","1.06","","","","has coordinates","244408","2020-10-21","18:00:00",""
"1558592","21.4001","0.0008","56.956","0.002","13.5367","0.0004","90","","90","","90","","16499.4","1","173","2","172.98","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C154 H182 F12 Ir4 N24 O33 S4 -","- C132 H126 F6 Ir4 N18 O17 S2 -","- C528 H504 F24 Ir16 N72 O68 S8 -","4","0.5","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","Selective synthesis and structural transformation between a molecular ring-in-ring architecture and an abnormal trefoil knot","Chemical Science","2020","","","","","10.1039/D0SC02733B","","","1.34138","GaKα","","0.0613","0.0528","","","0.1523","0.1604","","","","","","1.075","","","","has coordinates","254327","2020-10-21","18:00:00",""
"1558858","11.6264","0.0002","30.039","0.0004","26.9101","0.0004","90","","90","","90","","9398.2","0.2","123","","123","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C50 H28 -","- C50 H28 -","- C400 H224 -","8","1","","Zhu, Kaige KZ; Kamochi, Kosuke KK; Kodama, Takuya; Tobisu, Mamoru; Amaya, Toru","Chiral cyclic [n]spirobifluorenylenes: carbon nanorings consisting of helically arranged quaterphenyl rods illustrating partial units of woven patterns","Chemical Science","2020","","","","","10.1039/D0SC02452J","","","1.54184","CuKα","","0.0678","0.0619","","","0.1934","0.1999","","","","","","1.043","","","","has coordinates","255331","2020-10-21","18:00:00",""
"1559553","12.0049","0.0008","17.7292","0.0012","35.641","0.002","90","","90","","90","","7585.7","0.8","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C39 H42 Br Cl N2 O6 S -","- C39 H42 Br Cl N2 O6 S -","- C312 H336 Br8 Cl8 N16 O48 S8 -","8","1","","St-Pierre, Gabrielle; Cherney, Alan H.; Chen, Wencan; Dong, Xiaofei; Dornan, Peter K.; Griffin, Daniel J.; Houk, K. N.; Lin, Janice B.; Osgood, Stephen; Silva Elipe, Maria V.; Timmons, Heath C.; Xie, Yong; Tedrow, Jason S.; Thiel, Oliver R.; Smith, Austin G.","Accelerated Development of a Scalable Ring-Closing Metathesis to Manufacture AMG 176 Using a Combined High-Throughput Experimentation and Computational Modeling Approach","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00416","","","0.71073","MoKα","","0.0778","0.0451","","","0.0827","0.0944","","","","","","1.005","","","","has coordinates","259254","2020-11-26","00:48:38",""
"1561880","11.3985","0.001","22.943","0.002","23.982","0.002","90","","90","","90","","6271.7","0.9","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C22 H22 Ag2 F12 N6 O4 Sb2 -","- C22 H22 Ag2 F12 N6 O4 Sb2 -","- C176 H176 Ag16 F96 N48 O32 Sb16 -","8","1","","Kuai, Hai-Wei; Cheng, Xiao-Chun; Li, Deng-Hao; Hu, Tao; Zhu, Xiao-Hong","Syntheses, characterization and properties of silver, copper and palladium complexes from bis(oxazoline)-containing ligands","Journal of Solid State Chemistry","2015","228","","65","75","10.1016/j.jssc.2015.04.021","","","0.71073","MoKα","","0.0624","0.0475","","","0.1207","0.131","","","","","","1.043","","","","has coordinates","264290","2021-04-19","07:01:07",""
"1562006","25.1903","0.001","29.0888","0.0012","64.585","0.003","90","","90","","90","","47325","3","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C195.5 H248 N19 O67 Zr6 -","- C141.5 H122 N O49 Zr6 -","- C1132 H976 N8 O392 Zr48 -","8","1","","Gong, Wei; Liu, Yan; Cui, Yong","Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.","Faraday discussions","2021","231","0","168","180","10.1039/d1fd00014d","","","0.71073","MoKα","","0.0367","0.0326","","","0.0769","0.0783","","","","","","1.116","","","","has coordinates","270456","2021-11-06","20:11:42",""
"1562007","25.626","0.005","30.235","0.006","61.873","0.012","90","","90","","90","","47939","16","100","","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C135 H78 O40 Zr6 -","- C135 H78 O40 Zr6 -","- C1080 H624 O320 Zr48 -","8","1","","Gong, Wei; Liu, Yan; Cui, Yong","Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.","Faraday discussions","2021","231","0","168","180","10.1039/d1fd00014d","","","0.71073","synchrotron","","0.0622","0.047","","","0.1207","0.1272","","","","","","0.918","","","","has coordinates","270456","2021-11-06","20:11:42",""
"1562659","6.6754","0.0006","18.3943","0.0017","8.4571","0.0008","90","","90","","90","","1038.44","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Y -","- C5 H9 N2 O8 Y -","- C20 H36 N8 O32 Y4 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0263","0.0234","","","0.0507","0.0519","","","","","","0.911","","","","has coordinates","265303","2021-05-18","09:23:45",""
"1562660","6.7427","0.0005","18.653","0.0013","8.546","0.0006","90","","90","","90","","1074.84","0.13","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Eu N2 O8 -","- C5 H9 Eu N2 O8 -","- C20 H36 Eu4 N8 O32 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0204","0.019","","","0.0387","0.0392","","","","","","1.013","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562661","6.6916","0.0019","18.581","0.006","8.491","0.003","90","","90","","90","","1055.7","0.6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Gd N2 O8 -","- C5 H9 Gd N2 O8 -","- C20 H36 Gd4 N8 O32 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0203","0.0196","","","0.0466","0.0469","","","","","","1.11","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562662","6.6986","0.0004","18.5179","0.0011","8.4934","0.0006","90","","90","","90","","1053.56","0.12","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Tb -","- C5 H9 N2 O8 Tb -","- C20 H36 N8 O32 Tb4 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.025","0.0227","","","0.0441","0.045","","","","","","0.982","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562663","6.6837","0.0005","18.4684","0.0012","8.4759","0.0006","90","","90","","90","","1046.24","0.13","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Dy N2 O8 -","- C5 H9 Dy N2 O8 -","- C20 H36 Dy4 N8 O32 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0176","0.0169","","","0.0363","0.0366","","","","","","1.001","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562664","6.6539","0.0005","18.3606","0.0016","8.433","0.0007","90","","90","","90","","1030.26","0.15","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Er N2 O8 -","- C5 H9 Er N2 O8 -","- C20 H36 Er4 N8 O32 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0217","0.0207","","","0.0435","0.0437","","","","","","1.013","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562665","6.6291","0.0006","18.2549","0.0017","8.3983","0.0008","90","","90","","90","","1016.31","0.16","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Yb -","- C5 H9 N2 O8 Yb -","- C20 H36 N8 O32 Yb4 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0158","0.0153","","","0.0339","0.034","","","","","","1.083","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562744","7.7064","0.0014","37.225","0.006","12.4547","0.0017","90","","90","","90","","3572.9","1","298","","298","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C34 H54 O13 -","- C34 H54 O13 -","- C136 H216 O52 -","4","0.5","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0408","0.0378","","","0.1047","0.1087","","","","","","1.055","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1563400","8.105","0.003","10.684","0.005","12.03","0.005","90","","90","","90","","1041.7","0.8","295","","295","","","","","","","","","5","C 2 2 21","C 2c 2","20","","dipotassium Zirconium trisilicate dihidrate","","- h8 k8 o40 si12 zr4 -","- K2 O11 Si3 Zr -","- K8 O44 Si12 Zr4 -","4","0.5","","Ferreira, Artur; Lin, Zhi; Soares, Maria R.; Rocha, João","Novel microporous zirconium silicate (K2ZrSi3O9·2H2O) from high temperature phase transformation","Journal of Solid State Chemistry","2010","183","12","3067","3072","10.1016/j.jssc.2010.10.013","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","5.8252","","","","","","","","has coordinates","266433","2021-06-14","09:02:41",""
"1565188","15.2815","0.001","16.2362","0.0012","15.2815","0.001","90","","90","","90","","3791.5","0.4","295","","295","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C61 H72 F12 Fe2 N20 O12.5 P2 -","- C61 H72 F12 Fe2 N20 O12.5 P2 -","- C122 H144 F24 Fe4 N40 O25 P4 -","2","0.25","","Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth","Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality","Chemical Science","2021","","","","","10.1039/D1SC02963K","","","0.71073","MoKα","","0.0844","0.0702","","","0.1759","0.195","","","","","","1.069","","","","has coordinates","270602","2021-11-11","23:16:36",""
"1568596","15.632","0.001","25.5634","0.0015","12.2766","0.0008","90","","90","","90","","4905.8","0.5","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C27 H36 Br2 Mo5 N18 O2 Se5 -","- C27 H28 Br2 Mo5 N18 O2 Se5 -","- C108 H112 Br8 Mo20 N72 O8 Se20 -","4","0.5","","Savina, Iulia V.; Ivanov, Anton A.; Evtushok, Darya V.; Gayfulin, Yakov M.; Komarovskikh, Andrey Y.; Syrokvashin, Mikhail M.; Ivanova, Mariia N.; Asanov, Igor P.; Eltsov, Ilia V.; Kuratieva, Natalia V.; Mironov, Yuri V.; Shestopalov, Michael A.","Unusual Square Pyramidal Chalcogenide Mo<sub>5</sub> Cluster with Bridging Pyrazolate-Ligands.","International journal of molecular sciences","2023","24","4","3440","","10.3390/ijms24043440","","x-ray","0.71073","MoKα","","0.0462","0.0331","","","0.0814","0.0852","","","","","","1.064","","","","has coordinates,has disorder","281631","2023-03-05","14:52:02",""
"1568814","17.3674","0.0001","29.7047","0.0002","23.9524","0.0001","90","","90","","90","","12356.9","0.12","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","{(NDipp)2(CMe)2(C5H3N)}RhCl*1.333THF*0.666pent","","- C41.666 H61.666 Cl N3 O1.333 Rh -","- C41.6667 H61.6667 Cl N3 O1.33333 Rh -","- C500 H740 Cl12 N36 O16 Rh12 -","12","1.5","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0415","0.038","","","0.0981","0.102","","","","","","1.036","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1569479","12.5846","0.0004","22.3829","0.0007","20.1826","0.0006","90","","90","","90","","5685","0.3","142","2","142","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H33 N O6 Si -","- C26 H33 N O6 Si -","- C208 H264 N8 O48 Si8 -","8","1","","Sang, Xinpeng; Mo, Yuhao; Li, Shiya; Liu, Xiaohua; Cao, Weidi; Feng, Xiaoming","Bimetallic tandem catalysis-enabled enantioselective cycloisomerization/carbonyl-ene reaction for construction of 5-oxazoylmethyl α-silyl alcohol.","Chemical science","2023","14","31","8315","8320","10.1039/d3sc01048a","","","1.54178","CuKα","","0.0268","0.0252","","","0.063","0.0644","","","","","","1.037","","","","has coordinates","286066","2023-09-05","19:19:47",""
"1570414","7.1815","0.0003","17.3109","0.0007","46.2197","0.0017","90","","90","","90","","5746","0.4","173.01","0.1","173.01","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C33 H22 F7 N3 O2 -","- C33 H22 F7 N3 O2 -","- C264 H176 F56 N24 O16 -","8","1","","Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao","Selective chiral dimerization and folding driven by arene-perfluoroarene force.","Chemical science","2024","15","2","618","628","10.1039/d3sc05212e","","x-ray","1.54184","CuKα","","0.0634","0.0522","","","0.1467","0.1567","","","","","","0.857","","","","has coordinates","289414","2024-02-04","11:31:13",""
"1570572","18.1753","0.0003","22.3961","0.0003","29.9843","0.0006","90","","90","","90","","12205.3","0.4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C59 H104 K La Si4 -","- C55.5 H100 K La Si4 -","- C444 H800 K8 La8 Si32 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0509","0.0428","","","0.1151","0.1184","","","","","","1.039","","","","has coordinates,has disorder","289405","2024-02-04","11:29:31",""
"1570573","18.1753","0.0003","22.3961","0.0003","29.9843","0.0006","90","","90","","90","","12205.3","0.4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55.5 H100 Ce K Si4 -","- C55.5 H100 Ce K Si4 -","- C444 H800 Ce8 K8 Si32 -","8","1","","Hauser, Adrian; Münzfeld, Luca; Uhlmann, Cedric; Lebedkin, Sergei; Schlittenhardt, Sören; Ruan, Ting-Ting; Kappes, Manfred M.; Ruben, Mario; Roesky, Peter W.","It's not just the size that matters: crystal engineering of lanthanide-based coordination polymers.","Chemical science","2024","15","4","1338","1347","10.1039/d3sc03746k","","x-ray","0.71073","MoKα","","0.0338","0.0287","","","0.0665","0.0685","","","","","","1.026","","","","has coordinates,has disorder","289405","2024-02-04","11:29:32",""
"1570655","3.63202","","3.32551","","2.5554","","90","","90","","90","","30.865","","","","","","","","","","","","","1","C 2 2 21","C 2c 2","20","","","","- S -","- S -","- S24 -","24","3","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"1570656","4.20442","","3.37278","","3.16417","","90","","90","","90","","44.87","","","","","","","","","","","","","1","C 2 2 21","C 2c 2","20","","","","- S -","- S -","- S24 -","24","3","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:03",""
"2000657","10","0.002","14.202","0.002","7.421","0.001","90","","90","","90","","1053.9","0.3","","","","","","","","","","","","4","C 2 2 21","C 2c 2","","","","","- B3 Cl O9 Sr5 -","- B3 Cl O9 Sr5 -","- B12 Cl4 O36 Sr20 -","4","0.5","HH0561","Alekel, T.; Keszler, D. A.","Structure of Sr~5~(BO~3~)~3~Cl","Acta Crystallographica Section C","1992","48","8","1382","1386","10.1107/S0108270192000507","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001970","9.295","0.002","11.029","0.003","20.01","0.004","90","","90","","90","","2051.3","0.8","","","","","","","","","","","","4","C 2 2 21","C 2c 2","","","","","- H14 N6 O25 Y2 -","- H14 N6 O25 Y2 -","- H56 N24 O100 Y8 -","4","0.5","KA1002","Ribár, B.; Kapor, A.; Scott, B.; Willett, R. D.","Reinvestigation of the structure of [Y(H~2~O)~5~(NO~3~)~2~][Y(H~2~O)~2~(NO~3~)~4~]","Acta Crystallographica Section C","1993","49","2","314","316","10.1107/S0108270192005687","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","191093","2020-10-21","18:00:00",""
"2002088","14.754","0.003","14.805","0.005","15.277","0.004","90","","90","","90","","3337","1.6","197","","296","","","","","","","","","5","C 2 2 21","C 2c 2","20","","tetrakis(dimethylphenylphosphine)-rhodium(I) chloride","","- C32 H44 Cl P4 Rh -","- C32 H44 Cl P4 Rh -","- C128 H176 Cl4 P16 Rh4 -","4","0.5","ST1031","Reibenspies, J. H.; Darensbourg, D. J.","Structure of tetrakis(dimethylphenylphosphine)rhodium(I) chloride","Acta Crystallographica Section C","1993","49","1","141","142","10.1107/S0108270192009612","","","0.71073","MoKα","","0.0501","0.0501","","0.0512","0.0512","","","","1.0197","1.0197","1.0197","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003884","6.2983","0.0003","9.5537","0.0009","10.4499","0.0006","90","","90","","90","","628.79","0.08","293","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- K4 O12 Si4 Zn2 -","- K4 O12 Si4 Zn2 -","- K8 O24 Si8 Zn4 -","2","0.25","DU1113","Hogrefe, A. R.; Czank, M.","Synthetic Dipotassium Zinc Disilicate","Acta Crystallographica Section C","1995","51","9","1728","1730","10.1107/S0108270195003052","","","0.71069","MoKα","","","0.0541","","","0.0365","","","","","6.016","6.016","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004896","12.464","0.003","14.934","0.003","17.46","0.003","90","","90","","90","","3250","1.2","293","","293","","","","","","","","","7","C 2 2 21","C 2c 2","20","","bis[bis(4-methylthiazolinylidene)gold(I)] tetrachlorozincate dichloromethane","","- C8.5 H11 Au Cl3 N2 S2 Zn0.5 -","- C10 H8 Au Cl2 N2 S2 Zn0.5 -","- C80 H64 Au8 Cl16 N16 S16 Zn4 -","8","1","KH1025","Kruger, G. J.; Olivier, P. J.; Otte, R.; Raubenheimer, H. G.","Bis[bis(4-methylthiazolin-2-ylidene)gold(I)] Tetrachlorozincate Dichloromethane","Acta Crystallographica Section C","1996","52","5","1159","1161","10.1107/S0108270195015514","","","0.7093","MoKα","","0.078","0.05","","0.055","0.054","","","","3.587","4.045","4.045","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"2006621","22.212","0.005","11.646","0.004","19.681","0.004","90","","90","","90","","5091","2","291","","291","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28.5 H35.5 Cl1.5 N O -","- C28.518 H35 Cl1.554 N O -","- C228.144 H280 Cl12.432 N8 O8 -","8","1","SX1011","Swenson, Dale C.; TePaske, Mark R.; Baenziger, Norman C.; Gloer, James B.","Tubingensin B, a Cytotoxic Carbazole Alkaloid from the Sclerotia of <i>Aspergillus tubingensis</i>","Acta Crystallographica Section C","1997","53","10","1447","1449","10.1107/S0108270197003776","","","0.71073","MoKα","","0.0496","0.0403","","0.1116","0.1023","","","","1.166","1.144","1.144","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006712","4.0367","0.001","14.956","0.003","18.404","0.003","90","","90","","90","","1111.1","0.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Guanidinium bis[dichloromercury(II)]chloride,","","- C H6 Cl5 Hg2 N3 -","- C H6 Cl5 Hg2 N3 -","- C4 H24 Cl20 Hg8 N12 -","4","0.5","NA1294","Kubicki, Maciej; Szafrański, Marek","Poly{guanidinium bis[dichloromercury(II)]-μ~4~-chloro}","Acta Crystallographica Section C","1997","53","11","1558","1561","10.1107/S0108270197007944","","","0.71073","MoKα","","0.077","0.062","","0.188","0.165","","","","1.087","1.134","1.134","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007319","26.3","0.006","15.596","0.002","16.936","0.004","90","","90","","90","","6947","2","295","1","295","1","","","","","","","","6","C 2 2 21","C 2c 2","","Compound Cubpsac","","","- C34 H28 Cu N6 O8 S2 -","- C34 H28 Cu N6 O8 S2 -","- C272 H224 Cu8 N48 O64 S16 -","8","1","CF1234","Grupče, Orhideja; Jovanovski, Gligor; Šoptrajanov, Bojan; Hergold-Brundić, Antonija","Structure of Bis(2,2'-bipyridyl)(saccharinato-<i>N</i>)copper(II) Saccharinate Dihydrate. Addendum","Acta Crystallographica Section C","1998","54","6","890","891","10.1107/S0108270198005897","","","1.54178","CuKα","","","0.063","","","0.083","","","","","0.704","0.704","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2008095","12.406","0.002","14.313","0.002","15.299","0.002","90","","90","","90","","2716.6","0.7","300","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","(R)-1,1'-binaphthyl-2,2'-diol-(R,R)-1,2-cyclohexanediamine-toluene (1/1/1)","","","- C33 H36 N2 O2 -","- C33 H44 N2 O2 -","- C132 H176 N8 O8 -","4","0.5","OA1035","Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi","Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (<i>R</i>,<i>R</i>)-1,2-cyclohexanediamine","Acta Crystallographica Section C","1999","55","1","120","123","10.1107/S010827019800105X","","","0.71073","MoKα","","","0.076","","","","0.086","","","","","","1.41","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008574","7.7541","0.0013","14.4655","0.0019","31.108","0.005","90","","90","","90","","3489.3","0.9","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","(2S,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane","","- C18 H19 Cl N4 O2 -","- C18 H19 Cl N4 O2 -","- C144 H152 Cl8 N32 O16 -","8","1","GS1035","George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis","(2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane","Acta Crystallographica Section C","1999","55","6","1005","1008","10.1107/S0108270199002784","","","0.71069","MoKα","","0.073","0.044","","","","0.127","","","","","","1.018","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008733","14.752","0.005","23.919","0.008","12.505","0.006","90","","90","","90","","4412","3","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","3α,4β-Diacetoxy-17a-oxa-17a-homo-5α-androstan-17-one","","- C23 H34 O6 -","- C23 H34 O6 -","- C184 H272 O48 -","8","1","SK1276","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","17-Oxo-17a-oxa-17a-homo-5α-androstan-3α,4β-diyl diacetate","Acta Crystallographica Section C","1999","55","7","1186","1188","10.1107/S0108270199002838","","","0.7093","MoKα","","0.1598","0.033","","","","0.09","","","","","","0.927","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009202","14.19","0.003","57.435","0.01","17.4063","0.0018","90","","90","","90","","14186","4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","C-Ile","Cytosinyl-L-isoleucine dipeptide","","- C52 H99 N16 O25.5 -","- C53 H99 N16 O24.5 -","- C424 H792 N128 O196 -","8","1","SX1078","Mitsunobu Doi; Kazuto Tsunemichi; Akiko Asano; Mariko Tarui; Toshimasa Ishida; Masaaki Shiono","<i>N</i>-[3-(Cytosin-1-yl)propionyl]-<small>L</small>-isoleucine, a heavily hydrated structure with four cytosine‒isoleucine hybrids in the asymmetric unit","Acta Crystallographica Section C","1999","55","11","1865","1867","10.1107/S0108270199003650","","","1.5418","CuKα","","0.086","0.076","","","","0.222","","","","","","1.003","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2010151","8.702","0.001","9.889","0.001","23.968","0.003","90","","90","","90","","2062.5","0.4","298","","298","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Cadmium Iron Diphosphate","","- Cd2.06 Fe1.44 O14 P4 -","- Cd2.5 Fe O14 P4 -","- Cd20 Fe8 O112 P32 -","8","1","BR1058","ElBelghitti, Alaoui; Boukhari, Ali; Holt, Elizabeth M.","Cadmium iron(III) iron(II) diphosphate","Acta Crystallographica Section C","1994","50","11","1648","1650","10.1107/S0108270194006967","","","0.71073","MoKα","","","0.0489","","","0.0525","","","","","0.95","0.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011864","6.948","0.003","11.4543","0.0006","15.305","0.0007","90","","90","","90","","1218","0.5","297","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","4(R),7(R)-di-(hydroxymethyl)-5(R),6(R)-dihydroxy-1,3-dioxepane sodium iodide","","- C7 H14 I Na O6 -","- C7 H14 I Na O6 -","- C28 H56 I4 Na4 O24 -","4","0.5","DA1162","Xiao, Yingxin; Voll, Ronald J.; Billodeaux, Damon R.; Fronczek, Frank R.; Younathan, Ezzat S.","2,5-<i>O</i>-Methylene-<small>D</small>-mannitol: two polymorphs and the NaI complex","Acta Crystallographica Section C","2001","57","4","379","382","10.1107/S0108270101000506","","","0.71073","MoKα","","","0.021","","","","0.059","","","","","","1.091","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2014856","10.0017","0.0008","13.0822","0.0008","12.071","0.0004","90","","90","","90","","1579.42","0.17","298","","298","","","","","","","","","4","C 2 2 21","C 2c 2","20","","rubidium trigallium bis(triphosphate)","","- Ga3 O20 P6 Rb -","- Ga3 O20 P6 Rb -","- Ga12 O80 P24 Rb4 -","4","0.5","IZ1050","Lesage, Julien; Guesdon, Anne; Raveau, Bernard","RbGa~3~(P~3~O~10~)~2~: a new gallium phosphate isotypic with RbAl~3~(P~3~O~10~)~2~","Acta Crystallographica Section C","2005","61","5","i44","i46","10.1107/S0108270105006888","","","0.71069","MoKα","","0.1075","0.035","","","0.029","0.0339","","","","","","0.9","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2017067","7.502","0.0002","10.8274","0.0003","32.3927","0.0009","90","","90","","90","","2631.17","0.12","130","2","130","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Tetraaquabis(<i>D</i>-camphor-10-sulfonato)calcium(II)","","- C20 H38 Ca O12 S2 -","- C20 H38 Ca O12 S2 -","- C80 H152 Ca4 O48 S8 -","4","0.5","SQ3182","Jeremić, Dejan; Kaluderović, Goran N.; Gómez-Ruiz, Santiago; Brčeski, Ilija; Andelković, Katarina K.","Tetraaquabis(<small>D</small>-camphor-10-sulfonato)calcium(II)","Acta Crystallographica Section C","2009","65","4","m143","m145","10.1107/S0108270109004193","","","0.71073","MoKα","","0.0371","0.0319","","","0.0642","0.0653","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017298","9.5382","0.0007","9.9155","0.0006","28.2197","0.0019","90","","90","","90","","2668.9","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","4-amino-5-cyano-1-(β-D-ribofuranosyl)-7<i>H</i>- pyrrolo[2,3-<i>d</i>]pyrimidine hemihydrate","","- C12 H14 N5 O4.5 -","- C12 H14 N5 O4.5 -","- C96 H112 N40 O36 -","8","1","GG3204","Seela, Frank; Ingale, Sachin A.; Leonard, Peter; Eickmeier, Henning; Reuter, Hans","A toyocamycin analogue with the sugar moiety in a <i>syn</i> conformation","Acta Crystallographica Section C","2009","65","9","o431","o434","10.1107/S0108270109029813","","","0.71073","MoKα","","0.0365","0.0313","","","0.0723","0.0752","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018956","6.964","0.002","11.3","0.003","13.088","0.004","90","","90","","90","","1029.9","0.5","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Indium pentaoxidofluoridotellurate(IV)","","- F In O5 Te2 -","- F In O5 Te2 -","- F8 In8 O40 Te16 -","8","1","FN3131","Jennene Boukharrata, Nefla; Duclère, Jean-René; Laval, Jean-Paul; Thomas, Philippe","A new oxyfluorotellurate(IV), InTe~2~O~5~F","Acta Crystallographica Section C","2013","69","5","460","462","10.1107/S010827011300913X","","","0.71073","MoKα","","0.0185","0.015","","","0.0236","0.024","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019034","17.294","0.003","23.405","0.004","20.862","0.003","90","","90","","90","","8444","2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","potassium uranyl valerate","Potassium dioxidotris(<i>n</i>-valerato-κ^2^<i>O</i>,<i>O</i>')uranium(VI)","","- C15 H27 K O8 U -","- C15 H27 K O8 U -","- C240 H432 K16 O128 U16 -","16","2","FA3320","Savchenkov, Anton V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","The first uranyl complexes with valerate ions","Acta Crystallographica Section C","2013","69","7","721","726","10.1107/S0108270113014832","","","0.71073","MoKα","","0.0851","0.0655","","","0.1833","0.1933","","","","","","1.253","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019885","18.0996","0.0015","27.47","0.002","8.5734","0.0006","90","","90","","90","","4262.7","0.6","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","Bis[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]manganese(II) bis(hexafluoridophosphate) acetone monosolvate","","- C43 H34 F12 Mn N8 O P2 -","- C43 H34 F12 Mn N8 O P2 -","- C172 H136 F48 Mn4 N32 O4 P8 -","4","0.5","","Lourenço, Leandro M. O.; Almeida Paz, Filipe A.; Fernandes, José A.","Crystal structures of the water and acetone monosolvates of bis[4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine]manganese(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E Crystallographic Communications","2015","71","4","330","","10.1107/S2056989015003503","","","0.71073","MoKα","","0.1446","0.1036","","","0.2439","0.27","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2021005","16.3993","0.0012","12.5755","0.0011","21.2196","0.0017","90","","90","","90","","4376.1","0.6","295","1","295","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","1-{[1-(1-<i>tert</i>-Butoxycarbonyl)-<i>L</i>-prolyl]amino}terephthalic acid 2.24-hydrate","","- C18 H26.48 N2 O9.24 -","- C18 H26.48 N2 O9.24 -","- C144 H211.84 N16 O73.92 -","8","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.4151","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021007","7.622","0.0008","18.818","0.0011","17.4277","0.001","90","","90","","90","","2499.7","0.3","295","1","295","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","1-(<i>L</i>-Prolylamino)terephthalic acid","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C104 H112 N16 O40 -","8","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.8037","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021106","7.053","0.003","11.864","0.005","11.785","0.006","90","","90","","90","","986.1","0.8","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","Rubidium copper trichloride","","- Cl3 Cu Rb -","- Cl3 Cu Rb -","- Cl24 Cu8 Rb8 -","8","1","KU3218","Kornyakov, Ilya V.; Krivovichev, Sergey V.; Gurzhiy, Vladislav V.; Leoni, Matteo","ε-RbCuCl~3~, a new polymorph of rubidium copper trichloride: synthesis, structure and structural complexity","Acta Crystallographica Section C","2018","74","5","529","533","10.1107/S2053229618004539","","","0.71073","MoKα","","0.037","0.0277","","","0.0416","0.0439","","","","","","1.02","","","","has coordinates,has Fobs","207537","2020-10-21","18:00:00",""
"2021406","19.0698","0.0003","24.1017","0.0005","31.0577","0.0004","90","","90","","90","","14274.6","0.4","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","beta-cyclodextrin‒chlorogenic acid","β-Cyclodextrin‒chlorogenic acid‒water (2/2/17)","","- C116 H192.8 O105 -","- C116 H192.8 O105 -","- C464 H771.2 O420 -","4","0.5","UK3164","Aree, Thammarat","Inclusion complex of β-cyclodextrin with coffee chlorogenic acid: new insights from a combined crystallographic and theoretical study","Acta Crystallographica Section C","2019","75","1","15","21","10.1107/S2053229618016741","","","0.71073","MoKα","","0.1279","0.0693","","","0.1615","0.1956","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","213461","2020-10-21","18:00:00",""
"2022262","7.4469","0.0002","27.9271","0.0011","14.3092","0.0005","90","","90","","90","","2975.89","0.18","147","2","147","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Dichlorido[(<i>E</i>)-4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline]platinum(II) acetonitrile hemisolvate","","- C13 H10.5 Cl2 N3.5 O2 Pt -","- C13 H10.5 Cl2 N3.5 O2 Pt -","- C104 H84 Cl16 N28 O16 Pt8 -","8","1","DV3003","Khalaj, Mehdi; Olyaei, Abolfazl; Sadeghpour, Mahdieh; Lalegani, Arash; Lipkowski, Janusz; Lough, Alan J.","Platinum(II) complex with 4-nitro-<i>N</i>-(pyridin-2-ylmethylidene)aniline: synthesis, characterization, crystal structure and antioxidant activity","Acta Crystallographica Section C","2020","76","11","","","10.1107/S205322962001308X","","","0.71073","MoKα","","0.0598","0.0394","","","0.0622","0.0687","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","258296","2020-10-21","18:00:00",""
"2100468","7.3639","0.0004","11.2551","0.0006","24.1442","0.0016","90","","90","","90","","2001.1","0.2","150","","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","(1R, 2S)-(-)-ephedrine hemihydrate","","- C10 H16 N O1.5 -","- C10 H16 N O1.5 -","- C80 H128 N8 O12 -","8","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0618","0.042","","","0.0911","0.0999","","","","","","1.077","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101410","10.622","0.01","17.035","0.017","35.21","0.03","90","","90","","90","","6371","10","153","2","153","2","","","","","","","","6","C 2 2 21","C 2c 2","20","Triostin A","","","- C56 H77 Cl N14 O14 S2 -","- C56 H77 Cl N14 O14 S2 -","- C224 H308 Cl4 N56 O56 S8 -","4","0.5","HE0091","Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.","Structures of quinoxaline antibiotics","Acta Crystallographica Section B","1995","51","6","987","999","10.1107/S010876819401503X","","","0.71073","MoKα","","0.1319","0.0754","","0.2084","0.1641","","","","1.068","1.13","1.13","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102161","7.8177","0.0007","14.943","0.001","9.4845","0.0007","90","","90","","90","","1108","0.1","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","yttrium oxalate-carbonate","","","- C4 H4 O12 Y2 -","- C4 H4 O12 Y2 -","- C16 H16 O48 Y8 -","4","0.5","AN0567","Bataille, Thierry; Louër, Daniel","Powder and single-crystal X-ray diffraction study of the structure of [Y(H~2~O)]~2~(C~2~O~4~)(CO~3~)~2~","Acta Crystallographica Section B","2000","56","6","998","1002","10.1107/S0108768100010004","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","191101","2020-10-21","18:00:00",""
"2102162","7.8198","0.0005","14.949","0.001","9.4908","0.0005","90","","90","","90","","1109.46","0.12","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","yttrium oxalate-carbonate","","","- C4 H4 O12 Y2 -","- C4 H4 O12 Y2 -","- C16 H16 O48 Y8 -","4","0.5","AN0567","Bataille, Thierry; Louër, Daniel","Powder and single-crystal X-ray diffraction study of the structure of [Y(H~2~O)]~2~(C~2~O~4~)(CO~3~)~2~","Acta Crystallographica Section B","2000","56","6","998","1002","10.1107/S0108768100010004","","","0.71073","MoKα","","0.093","0.0464","","","0.0817","0.1039","","","","","","1.091","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102511","13.1422","0.0015","12.1676","0.0015","34.638","0.004","90","","90","","90","","5538.9","1.1","0","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","3',6'-O-(1,1,3,3-Tetraisopropyl-disiloxane-1,3-diyl)-neplancin A","","- C23 H39 N5 O4 Si2 -","- C23 N5 O4 Si2 -","- C184 N40 O32 Si16 -","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","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102514","19.036","0.01","6.508","0.002","29.178","0.018","90","","90","","90","","3615","3","0","","","","","","","","","","","6","C 2 2 21","C 2c 2","20","","Calcium bis(phenxypenicillin) dihydrate","","- C32 H38 Ca N4 O12 S2 -","- C32 Ca N4 O12 S2 -","- C128 Ca4 N16 O48 S8 -","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",""
"2102517","23.1914","0.001","8.65","0.001","21.9","0.001","90","","90","","90","","4393.3","0.6","0","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Insine 5'-monphosphate nnahydrate","","- C10 H33 N4 O18.5 P -","- C10 N4 O18 P -","- C80 N32 O144 P8 -","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","","","0.71073","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102522","29.327","0.012","16.743","0.007","19.458","0.006","90","","90","","90","","9554","6","0","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","bis(2,2'-bis(p-tolylphosphin)-1,1-binaphthyl)-palladium(0) benzene solvate","","- C120 H104 P4 Pd -","- C120 P4 Pd -","- C480 P16 Pd4 -","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","MoK\α","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103177","15.571","","21.116","","23.187","","90","","90","","89.95","","7623.82","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","hexakis(2,3,6-tri-O-methyl)-alpha-cyclodextrin","","- C62 H110 O36 -","- C62 O35.5 -","- C248 O142 -","4","0.5","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2103178","7.246","","15.512","","23.838","","90","","90","","90.06","","2679.39","","","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","O-Methyl-neopyrrolomycin","","- C11 H6 Cl5 N O -","- C11 H6 Cl5 N O -","- C88 H48 Cl40 N8 O8 -","8","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","199516","2020-10-21","18:00:00",""
"2103259","5.253","0.001","26.748","0.005","15.621","0.003","90","","90","","90","","2194.9","0.7","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid diamide","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C88 H96 N8 O32 -","4","0.5","NA0128","Rychlewska, Urszula; Warżajtis, Beata","Isostructuralism in a series of methylester/methylamide derivatives of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyl tartaric acid; inclusion properties and guest-dependent homeotypism of the crystals of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid diamide","Acta Crystallographica Section B","2002","58","2","265","271","10.1107/S0108768101019334","","","1.54178","CuKα","","0.0811","0.0485","","","0.1272","0.1392","","","","","","1.062","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103781","7.625","0.002","19.808","0.002","11.986","0.002","90","","90","","90","","1810.3","0.6","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","bis(Nitrato)-((4S,5S)-2,2-dimethyl-4,5-bis(2-pyridyl)-1,3-dioxolane)-cobalt(ii)","","- C15 H16 Co N4 O8 -","- C15 H16 Co N4 O8 -","- C60 H64 Co4 N16 O32 -","4","0.5","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","","0.0195","0.0181","","","0.0764","0.1093","","","","","","0.575","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103782","9.002","0.003","11.4","0.005","14.846","0.007","90","","90","","90","","1523.5","1.1","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","bis(Chloroacetato)-(N,N,N',N'-tetramethylethylenediamine) copper(ii)","","- C10 H20 Cl2 Cu N2 O4 -","- C10 H20 Cl2 Cu N2 O4 -","- C40 H80 Cl8 Cu4 N8 O16 -","4","0.5","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","","0.0061","0.0061","","","0.0397","0.0422","","","","","","0.252","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103783","10.621","0.002","11.624","0.002","17.723","0.002","90","","90","","90","","2188.1","0.6","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","(syn-rac)-trans-Dichloro-(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclo- tetradeca-4,11-diene)-cobalt(iii) perchlorate","","- C16 Cl3 Co N4 O4 -","- C16 Cl3 Co N4 O4 -","- C64 Cl12 Co4 N16 O16 -","4","0.5","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","","0.0022","0.0022","","","0.0137","0.0154","","","","","","0.093","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103784","17.462","0.002","17.337","0.002","28.417","0.002","90","","90","","90","","8602.9","1.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Diaqua-(ethylenediamine-N,N')-bis(guanosine 5'-monophosphate-N$7!)-nickel ethylenediamine hydrate","","- C24 N14 Ni O24.5 P2 -","- C24 N14 Ni O24.5 P2 -","- C192 N112 Ni8 O196 P16 -","8","1","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.71073","MoKα","","0.0058","0.0056","","","0.0379","0.0388","","","","","","0.3","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103785","9.453","0.002","17.812","0.002","13.475","0.002","90","","90","","90","","2268.9","0.6","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","catena-(mu!2$-Aqua)bis(diaqua-(mu!3$-beta-N-oxalyl-L-alpha,beta-diaminopropionic acid)-sodium) trihydrate","","- C5 H15 N2 Na O9 -","- C5 H10 N2 Na O9 -","- C40 H80 N16 Na8 O72 -","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","","0.0098","0.0093","","","0.0365","0.0565","","","","","","0.246","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104609","14.737","","22.671","","20.833","0.004","90","","90","","90","","6960.4","1.3","150","2","","","","","","","","","","7","C 2 2 21","C 2c 2","20","","Tetrakis(mu(3)-Acetato-O,O,O')-bis(mu(2)-acetato-O,O)-bis(mu(2)-(eta- propyliminomethyl)-4-methyl-6-((bis(pyridin-2-ylmethyl)amino)phenolato)- bis(methanol)-tetra-nickel(ii)-sodium perchlorate.","","- C62 H80 Cl N8 Na Ni4 O20 -","- C62 H80 Cl N8 Na Ni4 O20 -","- C248 H320 Cl4 N32 Na4 Ni16 O80 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104610","14.8237","0.0016","22.6797","0.0016","21.3521","0.0018","90","","90","","90","","7178.5","1.1","150","2","","","","","","","","","","8","C 2 2 21","C 2c 2","20","","Tetrakis(mu(3)-Acetato-O,O,O')-bis(mu(2)-acetato-O,O)-bis(mu(2)-(eta- propyliminomethyl)-4-methyl-6-((bis(pyridin-2-ylmethyl)amino)phenolato)- bis(methanol)-tetra-nickel(ii)-sodium hexafluorophosphate.","","- C62 H80 F6 N8 Na Ni4 O16 P -","- C62 H80 F6 N8 Na Ni4 O16 P -","- C248 H320 F24 N32 Na4 Ni16 O64 P4 -","4","0.5","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2106693","11.172","","8.533","","7.284","","90","","90","","90","","694.389","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Nd (P3 O9)","","- Nd O9 P3 -","- Nd O9 P3 -","- Nd4 O36 P12 -","4","0.5","","Hong, H.Y.-P.","Crystal structures of neodymium metaphosphate (Nd P3 O9) and ultraphosphate (Nd P5 O14)","Acta Crystallographica B (24,1968-38,1982)","1974","30","","468","474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106763","6.115","","13.244","","13.087","","90","","90","","90","","1059.88","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Mn (N O3)2 (H2 O)","","- H2 Mn N2 O7 -","- Mn N2 O7 -","- Mn8 N16 O56 -","8","1","","Milinski, N.; Culum, Z.; Ribar, B.","The crystal structure of manganese nitrate monohydrate","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1678","1682","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107112","10","","5.8","","10.14","","90","","90","","90","","588.12","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","K (Al (N H2)4)","","- Al H8 K N4 -","- Al H8 K N4 -","- Al4 H32 K4 N16 -","4","0.5","","Molinie, P.; Brec, R.; Rouxel, J.; Herpin, P.","Structures des amidoaluminates alcalins M Al (N H2)4, (M= Na, K, Cs). Structure de l'amidogallate de sodium Na Ga (N H2)4","Acta Crystallographica B (24,1968-38,1982)","1973","29","","925","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2200876","9.3254","0.0011","11.9482","0.0015","8.5578","0.0009","90","","90","","90","","953.53","0.19","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Ammonium 2,7-dimethyl-5-bora-1,4,6,9-tetroxaspiro[4.4]nonane-3,8-dionate","","- C6 H12 B N O6 -","- C6 H12 B N O6 -","- C24 H48 B4 N4 O24 -","4","0.5","CI6086","Angeli Mary, P. A; Dhanuskodi, S; Thamotharan, S; Parthasarathi, V","Ammonium 2,7-dimethyl-5-bora-1,4,6,9-tetroxaspiro[4.4]nonane-3,8-dionate (ammonium borodilactate)","Acta Crystallographica Section E","2002","58","1","o45","o47","10.1107/S160053680102102X","","","1.5418","CuKα","","0.027","0.026","","","0.103","0.103","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201230","6.7571","0.0014","12.43","0.003","28.88","0.006","90","","90","","90","","2425.7","0.9","180","2","180","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","4-(R)-[4-amino-2,6-dioxopyrimidine-1-yl]-3(S)-hydroxy-2(R)-furan methanol solvate","","- C10 H17 N3 O6 -","- C9.9997 H16.9989 N3 O5.9997 -","- C79.9976 H135.991 N24 O47.9976 -","8","1","AC6010","Swenson, Dale C.; Bera ,Sanjib; Nair, Vasu","Tautomeric 6-oxoisocytidine (methanol solvate)","Acta Crystallographica Section E","2002","58","9","o1031","o1033","10.1107/S1600536802015040","","","0.71073","MoKα","","0.0678","0.0517","","","0.1193","0.1282","","","","","","1.062","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2201562","13.488","0.006","17.868","0.007","16.452","0.007","90","","90","","90","","3965","3","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","mont2","Montanastatin: cyclo(-Val-D-Hyv-D-Val-Lac-)2, Hyv=alpha-hydroxyisovaleric acid, Lac=lactic acid","","- C36 H60 N4 O12 -","- C36 H60 N4 O12 -","- C144 H240 N16 O48 -","4","0.5","OB6157","Mitsunobu Doi; Akiko Asano","Montanastatin, cyclo[‒(Val-<small>D</small>-Hyv-<small>D</small>-Val-Lac)~2~‒]","Acta Crystallographica Section E","2002","58","8","o935","o936","10.1107/S1600536802013259","","","0.71073","MoKα","","0.0511","0.0489","","","0.1096","0.1107","","","","","","1.177","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202452","11.7449","0.0005","14.5747","0.0007","22.97","0.0012","90","","90","","90","","3932","0.3","180","2","180","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","[(S)-(-)-2-aminomethyl-1-ethylpyrrolidine- κ^2^N,N'](1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate","","- C16 H28 F3 N2 O3 Rh S -","- C16 H28 F3 N2 O3 Rh S -","- C128 H224 F24 N16 O24 Rh8 S8 -","8","1","CF6296","Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.; Klinowski, Jacek","A new polymorph of [(<i>S</i>)-({-})-2-aminomethyl-1-ethylpyrrolidine-κ^2^<i>N,N</i>'](1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2003","59","12","m1091","m1093","10.1107/S1600536803024760","","","0.71073","MoKα","","0.0482","0.0407","","","0.096","0.1014","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202962","6.798","0.0006","10.9084","0.0009","25.331","0.002","90","","90","","90","","1878.4","0.3","296","1","296","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","(S,S)-1,2-bis(1-hydrobenzimidazol-2-yl)-1,2-ethanediol","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","0.5","WN6182","Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza","(<i>S,S</i>)-1,2-Bis(1-methylbenzimidazol-2-yl)-1',2'-bis(methoxy)ethane","Acta Crystallographica Section E","2003","59","10","o1448","o1450","10.1107/S1600536803019184","","","0.71073","MoKα","","0.0706","0.0484","","","0.11","0.1201","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203723","7.7376","0.0002","13.5917","0.0004","22.3338","0.0008","90","","90","","90","","2348.78","0.12","295","2","295","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H18 Cl2 Mn N4 O3 -","- C24 H12 Cl2 Mn N4 O3 -","- C96 H48 Cl8 Mn4 N16 O12 -","4","0.5","CI6359","Zhi-Yong Wu; Duan-Jun Xu","<i>cis</i>-Dichlorobis(4,5-diazafluoren-9-one-κ^2^<i>N,N</i>')manganese(II) ethanol solvate","Acta Crystallographica Section E","2004","60","6","m839","m841","10.1107/S1600536804011870","","","0.71073","MoKα","","0.0375","0.0304","","","0.0719","0.0733","","","","","","0.986","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205006","11.4626","0.0006","12.0032","0.0009","16.7541","0.0009","90","","90","","90","","2305.2","0.2","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Poly[tetra-μ~2~-azido-di-μ~2~-4,4'-bipyridine-sodium(I)iron(III)]","","- C20 H16 Fe N16 Na -","- C20 H16 Fe N16 Na -","- C80 H64 Fe4 N64 Na4 -","4","0.5","BT6585","Näther, Christian; Greve, Jan; Jeß, Inke","Poly[tetra-μ~2~-azido-di-μ~2~-4,4'-bipyridine-sodium(I)iron(III)]","Acta Crystallographica Section E","2005","61","2","m317","m319","10.1107/S1600536805001091","","","0.71073","MoKα","","0.032","0.029","","","0.0739","0.0753","","","","","","1.085","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205178","6.1138","0.0012","7.6933","0.0015","19.824","0.004","90","","90","","90","","932.4","0.3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","3,8-Dimethyl-1,6-dioxa-4,9-diaza-5λ^5^-phosphaspiro[4.4]nonane-2,7-dione","","- C6 H11 N2 O4 P -","- C6 H11 N2 O4 P -","- C24 H44 N8 O16 P4 -","4","0.5","WN6313","Yu, Lin; Liu, Zhao; Fang, Hua; Zhao, Yu-Fen","(3<i>S</i>,8<i>S</i>)-3,8-Dimethyl-1,6-dioxa-4,9-diaza-5λ^5^-phosphaspiro[4.4]nonane-2,7-dione","Acta Crystallographica Section E","2005","61","2","o261","o262","10.1107/S160053680403421X","","","0.71073","MoKα","","0.0885","0.0685","","","0.1787","0.1979","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205891","13.9158","0.0007","14.8078","0.0008","26.3807","0.0014","90","","90","","90","","5436.1","0.5","291","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","Incanilin","(20S,24R)-Incanilin","","- C30 H48 O4 -","- C30 H48 O4 -","- C240 H384 O32 -","8","1","CI6569","Hernández-Ortega, Simón; Parra Delgado, Hortensia; Martínez, Mariano","Incaniline (isoargentatin A) from <i>Parthenium argentatum</i>","Acta Crystallographica Section E","2005","61","6","o1921","o1923","10.1107/S1600536805016429","","","0.71073","MoKα","","0.0618","0.0494","","","0.1114","0.1166","","","","","","1.024","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206633","17.2192","0.0013","18.0407","0.0014","15.4424","0.0012","90","","90","","90","","4797.1","0.6","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","2-Methoxy-4-(phenyliminomethyl)phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C224 H208 N16 O32 -","16","2","BT6708","Lin, Zhi-Dong; Lin, Zhi-Dong; Li, Xing; Huang, Ya-min","2-Methoxy-4-(phenyliminomethyl)phenol","Acta Crystallographica Section E","2005","61","9","o3032","o3033","10.1107/S1600536805026164","","","0.71073","MoKα","","0.0419","0.0358","","","0.0892","0.0934","","","","","","1.154","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206706","7.5915","0.0002","20.1407","0.0006","17.5607","0.0006","90","","90","","90","","2685","0.14","190","","190","","","","","","","","","3","C 2 2 21","C 2c 2","20","","1,2:3,4-Di-O-isopropylidene-β-D-psicofuranose","","- C12 H20 O6 -","- C12 H20 O6 -","- C96 H160 O48 -","8","1","HG6223","David J Watkin; Andreas F. G. Glawar; Raquel Soengas; Ken Izumori; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet","1,2:3,4-Di-<i>O</i>-isopropylidene-β-<small>D</small>-psicofuranose","Acta Crystallographica Section E","2005","61","9","o2949","o2951","10.1107/S1600536805025572","","","0.71073","MoKα","","0.0411","0.0411","","0.0776","0.0776","0.0776","","","","","","0.9433","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207635","12.1765","0.0009","14.2518","0.001","26.6488","0.0018","90","","90","","90","","4624.6","0.6","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Dibrucinium sulfate heptahydrate","","- C46 H68 N4 O19 S -","- C46 H68 N4 O19 S -","- C184 H272 N16 O76 S4 -","4","0.5","SG6038","Agata Białońska; Zbigniew Ciunik","Dibrucinium sulfate heptahydrate","Acta Crystallographica Section E","2005","61","12","o4222","o4224","10.1107/S1600536805037451","","","0.71073","MoKα","","0.056","0.047","","","0.091","0.094","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209792","6.8918","0.0008","12.9137","0.0014","30.668","0.003","90","","90","","90","","2729.4","0.5","273","2","273","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","1,3',7,7-Tetramethylspiro[bicyclo[2.2.1]heptane-2,2'-thiolane] 1',1'-dioxide","","- C14 H24 O2 S -","- C14 H24 O2 S -","- C112 H192 O16 S8 -","8","1","CI2087","Huang, Kun; Li, Yi-Zhi; Zhao, Sen-Zhi; Li, Xin-Liang; Huang, Zhi-Zhen","1,3',7,7-Tetramethylspiro[bicyclo[2.2.1]heptane-2,2'-thiolane] 1',1'-dioxide","Acta Crystallographica Section E","2006","62","8","o3237","o3238","10.1107/S1600536806025372","","","0.71073","MoKα","","0.0652","0.0523","","","0.1073","0.1099","","","","","","0.951","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210709","8.2104","0.0015","10.3092","0.0019","23.771","0.005","90","","90","","90","","2012","0.7","113","2","113","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","(S,S)-N,N'-Bis(2-hydroxy-2-butyl)ethylenediammonium oxalate pentahydrate","","- C12 H36 N2 O11 -","- C12 H36 N2 O11 -","- C48 H144 N8 O44 -","4","0.5","LH2181","Bai, Guo-Yi; Ning, Hui-Sen; Simpson, Jim; Qin, Xin-Ying; Li, Na","(<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-Bis(2-hydroxy-2-butyl)ethylenediammonium oxalate pentahydrate","Acta Crystallographica Section E","2006","62","10","o4567","o4568","10.1107/S1600536806037652","","","0.7107","MoKα","","0.0306","0.0291","","","0.0702","0.0712","","","","","","1.056","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2211038","22.312","0.003","35.968","0.005","15.3","0.002","90","","90","","90","","12279","3","130","2","130","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","(S)-[2-(1-Aminoethyl)phenyl]chloro(3-chloropyridine)palladium(II) acetone 0.25-solvate","","- C13.75 H15.5 Cl2 N2 O0.25 Pd -","- C13.75 H15.5 Cl2 N2 O0.25 Pd -","- C440 H496 Cl64 N64 O8 Pd32 -","32","4","HG2100","Calmuschi-Cula, Beatrice; Timofte, Claudia; Englert, Ulli","(<i>S</i>)-[2-(1-Aminoethyl)phenyl]chloro(3-chloropyridine)palladium(II) acetone 0.25-solvate","Acta Crystallographica Section E","2006","62","11","m2791","m2793","10.1107/S160053680603902X","","","0.71073","MoKα","","0.0338","0.029","","","0.0613","0.0628","","","","","","0.99","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211782","7.2503","0.0015","15.952","0.003","10.371","0.002","90","","90","","90","","1199.5","0.4","295","2","295","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Disodium diaquabis(malonato-κ^2^O,O')cobalt(II) monohydrate","","- C6 H10 Co Na2 O11 -","- C6 H10 Co Na2 O11 -","- C24 H40 Co4 Na8 O44 -","4","0.5","CV2155","Ye, Ling; Li, Bao; Yang, Guang-Di; Wu, Li-Xin","Disodium diaquabis(malonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) monohydrate","Acta Crystallographica Section E","2007","63","1","m146","m147","10.1107/S1600536806049762","","","0.71073","MoKα","","0.042","0.0411","","","0.1133","0.1142","","","","","","1.248","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212044","22.1421","0.0002","7.0559","0.0013","19.5604","0.0011","90","","90","","90","","3056","0.6","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Ethyl 3,5-bis(allyloxy)-4-bromobenzoate","","- C15 H17 Br O4 -","- C15 H17 Br O4 -","- C120 H136 Br8 O32 -","8","1","BI2149","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","Ethyl 3,5-bis(allyloxy)-4-bromobenzoate","Acta Crystallographica Section E","2007","63","2","o833","o835","10.1107/S1600536807002383","","","0.71073","MoKα","","0.0848","0.0515","","","0.0764","0.0843","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212308","8.949","0.009","14.175","0.005","22.128","0.005","90","","90","","90","","2807","3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","catena-Poly[[bis(imidazole-κN)zinc(II)]-μ-L-(+)-tartrato-κ^4^O,O':O'',O''']","","- C10 H12 N4 O6 Zn -","- C10 H12 N4 O6 Zn -","- C80 H96 N32 O48 Zn8 -","8","1","NG2195","Adama, Sy; Mohamed, Gaye; Abdou Salam, Sall; Aliou Hamady, Barry; Ahmed, Driss","<i>catena</i>-Poly[[bis(imidazole-κ<i>N</i>)zinc(II)]-μ-(2<i>R</i>,3<i>R</i>)-tartrato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2007","63","2","m574","m575","10.1107/S1600536807002127","","","0.71073","MoKα","","0.03","0.027","","","0.0728","0.0759","","","","","","1.126","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2212560","16.8773","0.0003","21.1322","0.0004","27.4623","0.0004","90","","90","","90","","9794.6","0.3","100","1","100","1","","","","","","","","6","C 2 2 21","C 2c 2","20","","Di-μ-benzenethiolato-μ-chlorido-bis{hydrido[(S)-(-)-2,2'-bis(di-<i>p</i>- tolylphosphanyl)-1,1'-binaphthyl]iridium(III)} chloride 1,2-dichloroethane disolvate","","- C112 H100 Cl6 Ir2 P4 S2 -","- C112 H100 Cl6 Ir2 P4 S2 -","- C448 H400 Cl24 Ir8 P16 S8 -","4","0.5","HB2272","Tsuneaki Yamagata; Kazunori Hoshida; Aika Iseki; Kazuhide Tani","Di-μ-benzenethiolato-μ-chlorido-bis{hydrido[(<i>S</i>)-({-})-2,2'-bis(di-<i>p</i>-tolylphosphanyl)-1,1'-binaphthyl]iridium(III)} chloride 1,2-dichloroethane disolvate","Acta Crystallographica Section E","2007","63","3","m918","m920","10.1107/S1600536807008665","","","0.71073","MoKα","","0.0436","0.04","","","0.0964","0.0981","","","","","","1.099","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213984","11.236","0.002","8.611","0.0017","7.3458","0.0015","90","","90","","90","","710.7","0.2","180","2","180","2","","","","","","","","3","C 2 2 21","C 2c 2","20","Cerium metaphosphate","Cerium catena-polyphosphate","","- Ce O9 P3 -","- Ce O9 P3 -","- Ce4 O36 P12 -","4","0.5","WM2096","Cole, Jacqueline M.; Ilieva, Dora","<i>C</i>-type CeP~3~O~9~","Acta Crystallographica Section E","2007","63","6","i138","i139","10.1107/S1600536807020703","","","0.71073","MoKα","","0.027","0.0252","","","0.0541","0.0551","","","","","","1.053","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216110","13.985","0.004","15.054","0.004","7.976","0.002","90","","90","","90","","1679.2","0.8","298","2","298","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","(2,2-Bipyridyl N,N'-dioxide-κ^2^O,O')trichloridobis(methanol-κO)terbium(III)","","- C12 H16 Cl3 N2 O4 Tb -","- C12 H16 Cl3 N2 O4 Tb -","- C48 H64 Cl12 N8 O16 Tb4 -","4","0.5","SG2182","Liu, Yin-Qiu; Zeng, Xi-Rui; Lei, Liang-Ping","(2,2-Bipyridyl <i>N</i>,<i>N</i>'-dioxide-κ^2^<i>O</i>,<i>O</i>')trichloridobis(methanol-κ<i>O</i>)terbium(III)","Acta Crystallographica Section E","2007","63","11","m2693","m2693","10.1107/S1600536807033910","","","0.71073","MoKα","","0.0502","0.0391","","","0.072","0.0731","","","","","","0.975","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217173","7.0487","0.0014","25.011","0.002","15.587","0.002","90","","90","","90","","2747.9","0.7","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","catena-Poly[[trimethyltin(IV)]-μ-quinaldato]","","- C13 H15 N O2 Sn -","- C13 H15 N O2 Sn -","- C104 H120 N8 O16 Sn8 -","8","1","LH2573","Hongyun Wang; Handong Yin; Daqi Wang","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-quinaldato]","Acta Crystallographica Section E","2008","64","1","m26","m26","10.1107/S1600536807061715","","","0.71073","MoKα","","0.0258","0.0212","","","0.0511","0.0546","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217788","4.2562","0.0006","17.63","0.003","10.4775","0.0017","90","","90","","90","","786.2","0.2","294","2","294","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","1,4-Dihydroxyquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C8 H6 N2 O4 -","- C8 H6 N2 O4 -","- C32 H24 N8 O16 -","4","0.5","HK2425","Abu-El-Halawah, Rajab; Ali, Basem Fares; Ibrahim, Mohammad M.; Zahra, Jalal A.; Frey, Wolfgang","1,4-Dihydroxyquinoxaline-2,3(1<i>H</i>,4<i>H</i>)-dione","Acta Crystallographica Section E","2008","64","3","o571","o572","10.1107/S1600536808003784","","","0.71073","MoKα","","0.0434","0.034","","","0.0684","0.071","","","","","","1.073","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217863","8.8773","0.0002","13.9298","0.0002","23.1234","0.0004","90","","90","","90","","2859.42","0.09","89","2","89","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","(1<i>R</i>,1'<i>R</i>,3<i>S</i>,3'<i>S</i>)-5,5',10,10'-Tetramethoxy-1,1',3,3'- tetramethyl- 3,3',4,4'-tetrahydro-1<i>H</i>,1'<i>H</i>-8,8'-bi[benzo[<i>g</i>]isochromene]","","- C34 H38 O6 -","- C34 H38 O6 -","- C136 H152 O24 -","4","0.5","BI2283","Sejberg, Jimmy J. P.; Sperry, Jonathan; Choi, Ka Wai; Boyd, Peter D. W.; Brimble, Margaret A.","(1<i>R</i>,1'<i>R</i>,3<i>S</i>,3'<i>S</i>)-5,5',10,10'-Tetramethoxy-1,1',3,3'-tetramethyl-3,3',4,4'-tetrahydro-1<i>H</i>,1'<i>H</i>-8,8'-bi[benzo[<i>g</i>]isochromene]","Acta Crystallographica Section E","2008","64","4","o758","","10.1107/S1600536808007599","","","0.71073","MoKα","","0.0654","0.0403","","","0.0871","0.0952","","","","","","1.125","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218371","11.864","0.0014","20.669","0.003","14.2274","0.0017","90","","90","","90","","3488.8","0.8","108","2","108","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Dichloridobis[(1<i>S</i>,1S',2<i>R</i>,2<i>R</i>')-(+)-1,1'-di-<i>tert</i>-butyl-2,2'- diphospholane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II)","","- C32 H64 Cl2 P4 Ru -","- C32 H64 Cl2 P4 Ru -","- C128 H256 Cl8 P16 Ru4 -","4","0.5","CV2390","Wang, Chubei; Tao, Haiyan; Ji, Baoming","Dichloridobis[(1<i>S</i>,1<i>S</i>',2<i>R</i>,2<i>R</i>')-(+)-1,1'-di-<i>tert</i>-butyl-2,2'-diphospholane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II)","Acta Crystallographica Section E","2008","64","6","m754","","10.1107/S1600536808008301","","","0.71073","MoKα","","0.025","0.0237","","","0.0566","0.0571","","","","","","1.058","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2219191","6.2654","0.0004","10.4593","0.0006","34.5285","0.0019","90","","90","","90","","2262.7","0.2","173","2","173","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane","","- C12 H16 O4 -","- C12 H16 O4 -","- C96 H128 O32 -","8","1","WN2272","Luo, Yi-Ming; Liu, Xing-Ming; Yuan, Xian-You; Zhang, Min; Ng, Seik Weng","5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane","Acta Crystallographica Section E","2008","64","8","o1536","","10.1107/S1600536808022046","","","0.71073","MoKα","","0.0686","0.0664","","","0.1832","0.1843","","","","","","1.143","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219530","16.8029","0.0016","19.8231","0.0019","11.3642","0.0011","90","","90","","90","","3785.3","0.6","291","2","291","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","(1H-Imidazole-κN^3^){<i>N</i>-[1-(2-oxidophenyl-κO)ethylidene]-L- phenylalaninato-κ^2^N,O}copper(II)","","- C20 H19 Cu N3 O3 -","- C20 H19 Cu N3 O3 -","- C160 H152 Cu8 N24 O24 -","8","1","CI2661","Han, Yong-Jun; Zhao, Gan-Qing; Zhao, Xiao-Jun; Song, Wen-Li; Shi, Jie-Li","(1<i>H</i>-Imidazole-κ<i>N</i>^3^){<i>N</i>-[1-(2-oxidophenyl-κ<i>O</i>)ethylidene]-<small>L</small>-phenylalaninato-κ^2^<i>N</i>,<i>O</i>}copper(II)","Acta Crystallographica Section E","2008","64","10","m1228","","10.1107/S160053680802758X","","","0.71073","MoKα","","0.0392","0.0284","","","0.0613","0.0666","","","","","","1.011","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219559","10.0406","0.0002","17.8109","0.0006","18.4221","0.0005","90","","90","","90","","3294.46","0.16","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Tricaesium tris(pyridine-2,6-dicarboxylato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)lutetium(III) octahydrate","","- C21 H25 Cs3 Lu N3 O20 -","- C21 H9 Cs3 Lu N3 O20 -","- C84 H36 Cs12 Lu4 N12 O80 -","4","0.5","DN2357","Legrand, Vincent; Aubert, Flavien; D'Aléo, Anthony; Rabiller, Philippe; Maury, Olivier","Tricaesium tris(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)lutetium(III) octahydrate","Acta Crystallographica Section E","2008","64","10","m1280","m1281","10.1107/S1600536808029243","","","0.71073","MoKα","","0.0251","0.0248","","","0.0628","0.0629","","","","","","1.464","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2220758","9.6972","0.0004","25.8488","0.0013","19.9","0.0009","90","","90","","90","","4988.2","0.4","108","2","108","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","(<i>R</i>)-Di-<i>tert</i>-butyl 1,1'-binaphthyl-2,2'-dicarboxylate","","- C30 H30 O4 -","- C30 H30 O4 -","- C240 H240 O32 -","8","1","DN2418","Thoss, Melanie; Seidel, Rüdiger W.; Feigel, Martin","(<i>R</i>)-Di-<i>tert</i>-butyl 1,1'-binaphthyl-2,2'-dicarboxylate","Acta Crystallographica Section E","2009","65","2","o243","","10.1107/S1600536808044309","","","0.71073","MoKα","","0.0469","0.0331","","","0.0695","0.0716","","","","","","0.889","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221964","10.7901","0.0004","11.1995","0.0005","30.588","0.001","90","","90","","90","","3696.4","0.2","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Poly[[μ~4~-tartrato-cadmium(II)] 0.167-hydrate]","","- C4 H4.33 Cd O6.17 -","- C4 H4.33333 Cd O6.16667 -","- C96 H104 Cd24 O148 -","24","3","CI2796","Zhao, Li-Zhen; Li, Ping; Cao, Bao-Liang; Ng, Seik Weng","Poly[[μ~4~-tartrato-cadmium(II)] 0.167-hydrate]","Acta Crystallographica Section E","2009","65","6","m629","","10.1107/S1600536809016882","","","0.71073","MoKα","","0.0226","0.0223","","","0.0596","0.0598","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223066","6.9986","0.001","11.6229","0.001","33.932","0.003","90","","90","","90","","2760.2","0.5","273","2","273","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","2-Amino-9-[(1<i>S</i>,3<i>R</i>,4<i>S</i>)-4-hydroxy-3-hydroxymethyl- 2-methylenecyclopentyl]-1,9-dihydro-6<i>H</i>-purin-6-one monohydrate","","- C12 H17 N5 O4 -","- C12 H17 N5 O4 -","- C96 H136 N40 O32 -","8","1","HB5032","Jiang, Bin; Liu, Zhilu","2-Amino-9-[(1<i>S</i>,3<i>R</i>,4<i>S</i>)-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl]-1,9-dihydro-6<i>H</i>-purin-6-one monohydrate","Acta Crystallographica Section E","2009","65","9","o2232","","10.1107/S1600536809032966","","","0.71073","MoKα","","0.0336","0.0302","","","0.0767","0.0793","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223892","10.2335","0.0006","21.8532","0.0012","16.7441","0.0009","90","","90","","90","","3744.6","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","6-Isopropyl-3-phenyl-5-(<i>p</i>-tolyloxy)-3<i>H</i>-1,2,3- triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","","- C20 H19 N5 O2 -","- C20 H19 N5 O2 -","- C160 H152 N40 O16 -","8","1","LH2904","Zeng, Xiao-Hua; Deng, Shou-Heng; Chen, Ping; Wang, Hong-Mei; Gao, Hai-Tao","6-Isopropyl-3-phenyl-5-(<i>p</i>-tolyloxy)-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one: whole-molecule disorder","Acta Crystallographica Section E","2009","65","11","o2653","o2654","10.1107/S1600536809039798","","","0.71073","MoKα","","0.0592","0.0496","","","0.1297","0.1443","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228256","7.7096","0.0008","22.906","0.002","20.983","0.002","90","","90","","90","","3705.5","0.6","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","[2-Hydroxy-<i>N</i>'-(4-oxo-4-phenylbutan-2- ylidene)benzohydrazidato(2-)]pyridinecopper(II)","","- C22 H19 Cu N3 O3 -","- C22 H19 Cu N3 O3 -","- C176 H152 Cu8 N24 O24 -","8","1","BX2325","Zhang, Shu-Ping; Wei, Ying; Shao, Si-Chang","[2-Hydroxy-<i>N</i>'-(4-oxo-4-phenylbutan-2-ylidene)benzohydrazidato(2{-})]pyridinecopper(II)","Acta Crystallographica Section E","2010","66","12","m1635","","10.1107/S1600536810047719","","","0.71073","MoKα","","0.0721","0.0567","","","0.1233","0.1305","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229852","4.9453","0.0001","20.4691","0.0004","10.4543","0.0003","90","","90","","90","","1058.25","0.04","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","2-Methyl-5,6-dinitrobenzimidazolium chloride","","- C8 H7 Cl N4 O4 -","- C8 H7 Cl N4 O4 -","- C32 H28 Cl4 N16 O16 -","4","0.5","SU2261","Dinçer, Sebla; Gönülalan, Gonca; Tercan, Barış; Hökelek, Tuncer","2-Methyl-5,6-dinitrobenzimidazolium chloride","Acta Crystallographica Section E","2011","67","4","o806","o807","10.1107/S1600536811008105","","","0.71073","MoKα","","0.0252","0.0242","","","0.0614","0.062","","","","","","1.106","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229860","8.3876","0.0004","12.1772","0.0006","20.7479","0.0011","90","","90","","90","","2119.14","0.18","200","2","200","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Bis(2,2'-bipyrimidine-κ^2^<i>N</i>,<i>N</i>')dibromidomanganese(II) nitromethane monosolvate","","- C17 H15 Br2 Mn N9 O2 -","- C17 H15 Br2 Mn N9 O2 -","- C68 H60 Br8 Mn4 N36 O8 -","4","0.5","TK2729","Ha, Kwang","<i>cis</i>-Bis(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)dibromidomanganese(II) nitromethane monosolvate","Acta Crystallographica Section E","2011","67","4","m474","","10.1107/S1600536811010075","","","0.71073","MoKα","","0.0859","0.0431","","","0.0593","0.0777","","","","","","1.015","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230561","15.7181","0.0002","24.9338","0.0003","15.1048","0.0002","90","","90","","90","","5919.75","0.13","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Tetrakis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(nitrato-κ<i>O</i>)copper(II) nitrate","","- C28 H24 Cu N10 O6 -","- C28 H24 Cu N10 O6 -","- C224 H192 Cu8 N80 O48 -","8","1","ZS2111","Zhou, Fu-Lin; Ng, Seik Weng","Tetrakis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(nitrato-κ<i>O</i>)copper(II) nitrate","Acta Crystallographica Section E","2011","67","6","m792","","10.1107/S1600536811018885","","","1.5418","CuKα","","0.0417","0.0396","","","0.1135","0.1165","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234381","13.014","0.002","24.17","0.003","5.088","0.0009","90","","90","","90","","1600.4","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","trisodium tetraniobium triarsenic nonadecaoxide","","- As3 Na3 Nb4 O19 -","- As3 Na3.001 Nb4 O19 -","- As12 Na12.004 Nb16 O76 -","4","0.5","RU2026","Chérif, Saïda Fatma; Hizaoui, Khaled; Zid, Mohamed Faouzi; Driss, Ahmed","Non-centrosymmetric Na~3~Nb~4~As~3~O~19~","Acta Crystallographica Section E","2012","68","4","i25","i26","10.1107/S1600536812010537","","","0.71073","MoKα","","0.0408","0.0288","","","0.0712","0.0763","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235232","7.0699","0.0001","20.4852","0.0003","22.5416","0.0003","90","","90","","90","","3264.66","0.08","100","1","100","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","3,3'-Dicyclopentyl-1,1'-(1,3-phenylenedimethylene)dibenzimidazol-1-ium bis(hexafluorophosphate)","","- C32 H36 F12 N4 P2 -","- C32 H36 F12 N4 P2 -","- C128 H144 F48 N16 P8 -","4","0.5","RZ2756","Haque, Rosenani A.; Nasri, S. Fatimah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun","3,3'-Dicyclopentyl-1,1'-(1,3-phenylenedimethylene)dibenzimidazol-1-ium bis(hexafluorophosphate)","Acta Crystallographica Section E","2012","68","6","o1868","","10.1107/S160053681202274X","","","0.71073","MoKα","","0.0366","0.0323","","","0.0754","0.0783","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235889","13.344","0.015","10.693","0.014","23.537","0.013","90","","90","","90","","3358","6","193","2","193","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","(<i>S</i>,<i>E</i>)-3-[(2-Hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)- 2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","1","JJ2144","Tinguiano, Daniel; Sy, Adama; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal","(<i>S</i>,<i>E</i>)-3-[(2-Hydroxybenzylidene)amino]-2-(2-hydroxyphenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2374","o2375","10.1107/S1600536812030012","","","1.54187","CuKα","","0.0382","0.0353","","","0.0944","0.0983","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237762","8.3551","0.0004","9.7067","0.0005","23.8555","0.0011","90","","90","","90","","1934.69","0.16","293","2","293","2","101.3","","","","","","","4","C 2 2 21","C 2c 2","20","","Pentacobalt(II) divanadium(III) tetrakis(diphosphate)","","- Co5 O28 P8 V2 -","- Co4.9984 O28 P8 V2.0016 -","- Co19.9936 O112 P32 V8.0064 -","4","0.5","BR2223","Bronova, Anna; Glaum, Robert; Litterscheid, Christian","Pentacobalt(II) divanadium(III) tetrakis(diphosphate), Co~5~V~2~(P~2~O~7~)~4~","Acta Crystallographica Section E","2013","69","5","i26","","10.1107/S1600536813008507","","","0.71073","MoKα","","0.0701","0.0462","","","","0.1099","","","","","","0.92","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238671","7.5319","0.0008","12.9302","0.0014","32.3268","0.0018","90","","90","","90","","3148.3","0.5","200","1","200","1","","","","","","","","5","C 2 2 21","C 2c 2","20","4-methoxyanilinium hydrogen 4,5-dichlorophthalate","4-Methoxyanilinium 2-carboxy-4,5-dichlorobenzoate","","- C15 H13 Cl2 N O5 -","- C15 H13 Cl2 N O5 -","- C120 H104 Cl16 N8 O40 -","8","1","SJ5350","Smith, Graham; Wermuth, Urs D.","4-Methoxyanilinium 2-carboxy-4,5-dichlorobenzoate","Acta Crystallographica Section E","2013","69","10","o1546","","10.1107/S1600536813025014","","","0.71073","MoKα","","0.0696","0.0668","","","0.1165","0.1173","","","","","","1.423","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2240315","8.5947","0.0006","18.2401","0.0017","16.9272","0.0013","90","","90","","90","","2653.6","0.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","[<i>N</i>,<i>N</i>'-Bis(2-oxidobenzyl-κ<i>O</i>)-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl-κ<i>N</i>)ethylenediamine-κ^2^<i>N</i>,<i>N</i>'](nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)","","- C28 H28 N5 O5 Tb -","- C28 H28 N5 O5 Tb -","- C112 H112 N20 O20 Tb4 -","4","0.5","LH5741","Gregório, Thaiane; Rüdiger, André Luis; Nunes, Giovana G.; Soares, Jaísa F.; Hughes, David L.","Crystal structure of an eight-coordinate terbium(III) ion chelated by <i>N</i>,<i>N</i>'-bis(2-hydroxybenzyl)-<i>N</i>,<i>N</i>'-bis(pyridin-2-ylmethyl)ethylenediamine (bbpen^2{-^}) and nitrate","Acta Crystallographica Section E","2015","71","1","65","68","10.1107/S2056989014026826","","","0.71073","MoKα","","0.0105","0.0102","","","0.0265","0.0266","","","","","","1.153","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240376","7.64","0.0003","16.17","0.0005","21.3406","0.0009","90","","90","","90","","2636.39","0.17","150","2","150","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","7,7-Dimethyl-6-methylidenetricyclo[6.2.1.0^1,5^]undecane-2-carboxylic acid","","- C15 H22 O2 -","- C15 H22 O2 -","- C120 H176 O16 -","8","1","","Beghidja, Noureddine; Benayache, Samir; Benayache, Fadila; Knight, David W.; Kariuki, Benson M.","Crystal structure of 7,7-dimethyl-6-methylidenetricyclo[6.2.1.0^1,5^]undecane-2-carboxylic acid","Acta Crystallographica Section E","2015","71","2","o94","","10.1107/S2056989014028254","","","0.71073","MoKα","","0.0696","0.0469","","","0.0932","0.1027","","","","","","1.073","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240515","5.3145","0.0012","11.991","0.003","19.767","0.005","90","","90","","90","","1259.7","0.5","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","<i>catena</i>-Poly[[diaquacadmium(II)]-μ-3,3'-(1,3-phenylene)diacrylato]","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","XU5838","Zhang, Xiao-Ping; Chen, Xin; Huang, Kun-Lin","Crystal structure of <i>catena</i>-poly[[diaquacadmium(II)]-μ-3,3'-(1,3-phenylene)diacrylato]","Acta Crystallographica Section E","2015","71","4","m91","m92","10.1107/S2056989015005411","","","0.71073","MoKα","","0.0462","0.0392","","","0.1492","0.1548","","","","","","1.078","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2241211","8.5509","0.0011","8.6327","0.0011","20.057","0.003","90","","90","","90","","1480.6","0.3","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","1,2,3,5-di-<i>O</i>-Methylene-α-<i>D</i>-xylofuranose","","- C7 H10 O5 -","- C7 H10 O5 -","- C56 H80 O40 -","8","1","ZL2650","Tiritiris, Ioannis; Tussetschläger, Stefan; Kantlehner, Willi","Crystal structure of 1,2,3,5-di-<i>O</i>-methylene-α-<small>D</small>-xylofuranose","Acta Crystallographica Section E","2015","71","11","o889","","10.1107/S2056989015020022","","","0.71073","MoKα","","0.0396","0.0328","","","0.0708","0.0738","","","","","","1.047","","","","has coordinates,has Fobs","169807","2020-10-21","18:00:00",""
"2310211","13.935","","8.8797","","11.6927","","90","","90","","90","","1446.84","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- Na2 Tl -","- Na2 Tl -","- Na32 Tl16 -","16","2","","Hansen, D.A.; Smith, J.F.","Structure and bonding model for Na2 Tl","Acta Crystallographica (1,1948-23,1967)","1967","22","","836","845","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310639","6.967","","6.967","","6.866","","90","","90","","90","","333.269","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Ga (P O4)","","- Ga O4 P -","- Ga O4 P -","- Ga4 O16 P4 -","4","0.5","","Mooney, R.C.L.","The crystal structure of aluminum phosphate and gallium phosphate, low-cristobalite type","Acta Crystallographica (1,1948-23,1967)","1956","9","","728","734","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310733","6.6","","11.42","","6.96","","90","","90","","90","","524.589","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","K2 Zr F6","","- K2 Zr -","- K2 Zr -","- K8 Zr4 -","4","0.5","","Bode, H.","Ueber die Kristallstrukturen der Hexafluorozirkonate","Acta Crystallographica (1,1948-23,1967)","1954","7","","637","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2312394","4.8791","0.001","22.049","0.005","28.256","0.006","90","","90","","90","","3039.8","1.1","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Bis(6-methylmercaptopurine riboside-κ<i>N</i>^7^)(nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I) 2.32-hydrate","","- C22 H32.64 Ag N9 O13.32 S2 -","- C22 H32 Ag N9 O13.314 S2 -","- C88 H128 Ag4 N36 O53.256 S8 -","4","0.5","VP3034","Al-Mahamad, Lamia L G; Clegg, William","Synthesis and crystal structure of a silver(I) 6-methylmercaptopurine riboside complex.","Acta crystallographica. Section C, Structural chemistry","2024","80","3","","","10.1107/S2053229624001670","","","0.6889","synchrotron","","0.0329","0.0292","","","0.0671","0.0683","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","289936","2024-02-23","03:06:00",""
"3500038","7.618","0.008","9.945","0.016","7.219","0.004","90","","90","","90","","546.9","1.1","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Calcium tartrate anhydrous form II","","- C4 H4 Ca O6 -","- C4 H4 Ca O6 -","- C16 H16 Ca4 O24 -","4","0.5","","Armel Le Bail","","Personal communication to COD","2016","","","","","","","","0.71069","MoKα","","0.0927","0.0532","","","0.1162","0.1342","","","","","","1.149","","","","has coordinates,has Fobs","183932","2020-10-21","18:00:00",""
"4000081","14.3826","0.0013","22.7555","0.0019","8.9757","0.0008","90","","90","","90","","2937.6","0.4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C29 H18 Cl2 Cu N6 O6 -","- C29 H18 Cl2 Cu N6 O6 -","- C116 H72 Cl8 Cu4 N24 O24 -","4","0.5","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0366","0.0358","","","0.1029","0.1036","","","","","","1.071","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000082","14.0364","0.0012","23.7595","0.0019","8.9706","0.0007","90","","90","","90","","2991.7","0.4","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C29 H18 Cl2 Co N6 O6 -","- C29 H18 Cl2 Co N6 O6 -","- C116 H72 Cl8 Co4 N24 O24 -","4","0.5","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0365","0.0353","","","0.0974","0.098","","","","","","1.061","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000367","12.156","0.003","13.96","0.004","14.258","0.004","90","","90","","90","","2419.6","1.1","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C2.5 H10 Ge4.5 N2.5 O11 -","- C2.5 H9 Ge4.5 N2.5 O11 -","- C20 H72 Ge36 N20 O88 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0346879","","","0.71073","MoKα","","0.0416","0.0392","","","0.0973","0.0987","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000461","6.52","0.0013","8.663","0.0017","17.359","0.004","90","","90","","90","","980.5","0.3","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C5 H4 N S -","- C5 H4 N S -","- C40 H32 N8 S8 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm048640e","","","0.71073","MoKα","","0.0327","0.0272","","","0.0637","0.0657","","","","","","1.022","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000898","16.2213","0.0011","3.89355","0.00027","6.27724","0.00043","90","","90","","90","","396.46","0.05","300","","300","","","","","","","","","3","C 2 2 21","C 2c 2","20","delta-(MoO2)2P2O7","","","- Mo2 O11 P2 -","- Mo2 O11 P2 -","- Mo4 O22 P4 -","2","0.25","","Lister, Sarah E.; Rixom, Victoria J.; Evans, John S. O.","Structural and Mechanistic Studies of the Dehydration of MoO2PO3OH·H2O and the In situ Identification of Two New Molybdenum Phosphates","Chemistry of Materials","2010","22","18","5279","","10.1021/cm101429u","","","0.35285","synchrotron","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000899","17.3171","0.0038","3.73005","0.00078","6.4173","0.0012","90","","90","","90","","414.52","0.15","300","","300","","","","","","","","","4","C 2 2 21","C 2c 2","20","Li2Mo2P2O11","","","- Li2 Mo2 O11 P2 -","- Li2 Mo2 O11 P2 -","- Li4 Mo4 O22 P4 -","2","0.25","","Lister, Sarah E.; Rixom, Victoria J.; Evans, John S. O.","Structural and Mechanistic Studies of the Dehydration of MoO2PO3OH·H2O and the In situ Identification of Two New Molybdenum Phosphates","Chemistry of Materials","2010","22","18","5279","","10.1021/cm101429u","","","1.5418","CuKα","","6.503","","","","","","","","1.281","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4020011","10.6675","0.0004","11.0586","0.0005","16.5092","0.0007","90","","90","","90","","1947.55","0.14","198","2","198","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C80 H120 N8 O24 -","8","1","","Mingshi Dai; Xuqing Zhang; Seock-Kyu Khim; Arthur G. Schultz","","Journal of Organic Chemistry","2005","70","","384","387","10.1021/jo048408s","","","0.71073","MoKα","","0.0312","0.0303","","","0.081","0.0822","","","","","","1.034","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4021024","18.267","0.0013","22.2381","0.0016","65.457","0.005","90","","90","","90","","26590","3","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C68.75 H84 N O8 P2 Rh -","- C65 H79 O8 P2 Rh -","- C1040 H1264 O128 P32 Rh16 -","16","2","","Christopher J. Cobley; Kelli Gardner; Jerzy Klosin; Céline Praquin; Catherine Hill; Gregory T. Whiteker; Antonio Zanotti-Gerosa; Jeffrey L. Petersen; Khalil A. Abboud","Synthesis and Application of a New Bisphosphite Ligand Collection for Asymmetric Hydroformylation of Allyl Cyanide","Journal of Organic Chemistry","2004","69","","4031","4040","10.1021/jo040128p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021053","10.6924","0.0002","33.0953","0.0007","14.2824","0.0003","90","","90","","90","","5054.1","0.2","200","2","200","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C58 H71 N6 O1.5 -","- C52 H56 N6 -","- C208 H224 N24 -","4","0.5","","Angela L. Sauers; Douglas M. Ho; Stefan Bernhard","Synthesis and Characterization of Highly Conjugated, Chiral Bridging Ligands","Journal of Organic Chemistry","2004","69","","8910","8915","10.1021/jo048515m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021701","11.2761","0.0005","23.5451","0.0009","26.7168","0.0011","90","","90","","90","","7093.2","0.5","100","2","100","2","","","","","","","synthesized","5","C 2 2 21","C 2c 2","20","","","","- C33 H45 Cl N5 O9 -","- C33 H43 Cl N5 O8 -","- C264 H344 Cl8 N40 O64 -","8","1","","May Xiao-Wu Jiang; Bohan Jin; Jennifer L. Gage; Alain Priour; Gordon Savela; Marvin J. Miller","Substrate-Dependent Dihydroxylation of Substituted Cyclopentenes: Toward the Syntheses of Carbocyclic Sinefungin and Noraristeromycin","Journal of Organic Chemistry","2006","71","","4164","4169","10.1021/jo060224l","","x-ray","0.71073","MoKα","","0.044","0.0368","","","0.0838","0.0868","","","","","","1.037","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021705","8.6769","0.0008","14.8384","0.0014","25.297","0.002","90","","90","","90","","3257","0.5","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","9-(5-O-acetyl-β-D-ribofuranosyl)-6-(imidazol-1-yl)purine","","- C15 H16 N6 O5 -","- C15 H16 N6 O5 -","- C120 H128 N48 O40 -","8","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0294","0.0289","","","0.0776","0.0782","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021948","9.2755","0.0002","13.5333","0.0003","25.1099","0.0007","90","","90","","90","","3152","0.13","180","2","180","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C37 H32 N2 O9 -","- C37 H32 N2 O9 -","- C148 H128 N8 O36 -","4","0.5","","Paolo Pengo; G. Dan Pantoş; Sijbren Otto; Jeremy K. M. Sanders","Efficient and Mild Microwave-Assisted Stepwise Functionalization of Naphthalenediimide with -Amino Acids","Journal of Organic Chemistry","2006","71","","7063","7066","10.1021/jo061195h","","","0.71073","MoKα","","0.0961","0.0488","","","0.1199","0.1423","","","","","","1.053","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021950","7.4919","0.0003","9.0192","0.0003","49.8755","0.0018","90","","90","","90","","3370.1","0.2","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H21 Br O5 -","- C17 H21 Br O5 -","- C136 H168 Br8 O40 -","8","1","","Tobias Bender; Tim Schuhmann; Jörg Magull; Stephanie Grond; Paultheo von Zezschwitz","Comprehensive Study of Okaspirodiol: Characterization, Total Synthesis, and Biosynthesis of a New Metabolite from Streptomyces","Journal of Organic Chemistry","2006","71","","7125","7132","10.1021/jo060149e","","","1.54178","CuKα","","0.0294","0.0286","","","0.0644","0.0648","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023705","10.937","0.003","20.414","0.006","9.167","0.003","90","","90","","90","","2046.7","1","571","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C10 H8 B0.5 Cu0.5 F2 N2 -","- C10 H8 B0.5 Cu0.5 F2 N2 -","- C80 H64 B4 Cu4 F16 N16 -","8","1","","Jiajia Niu; Hua Zhou; Zhigang Li; Jingwei Xu; Shaojing Hu","An Efficient Ullmann-Type C-O Bond Formation Catalyzed by an Air-Stable Copper(I)-Bipyridyl Complex","Journal of Organic Chemistry","2008","73","","7814","7817","10.1021/jo801002c","","","0.71073","MoKα","","0.0785","0.065","","","0.1877","0.2036","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023951","11.975","0.003","20.307","0.004","23.856","0.005","90","","90","","90","","5801","2","98","2","98","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C65 H76 N4 O8 -","- C65 H76 N4 O8 -","- C260 H304 N16 O32 -","4","0.5","","Zi-Bo Li; Jing Lin; Michal Sabat; Marilise Hyacinth; Lin Pu","Enantioselective Fluorescent Recognition of Chiral Acids by Cyclohexane-1,2-diamine-Based Bisbinaphthyl Molecules","Journal of Organic Chemistry","2007","72","","4905","4916","10.1021/jo0704715","","","0.71073","MoKα","","0.0762","0.0522","","","0.0991","0.1069","","","","","","0.982","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4024133","16.126","0.003","21.227","0.003","16.074","0.004","90","","90","","90","","5502.2","1.9","297","2","297","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H35 N3 O8 -","- C24 H35 N3 O8 -","- C192 H280 N24 O64 -","8","1","","Deekonda Srinivas; Rajesh Gonnade; Sapna Ravindranathan; Gangadhar J. Sanjayan","Conformationally Constrained Aliphatic-Aromatic Amino-Acid-Conjugated Hybrid Foldamers with Periodic β-Turn Motifs","Journal of Organic Chemistry","2007","72","","7022","7025","10.1021/jo0709044","","","0.71073","MoKα","","0.1093","0.0695","","","0.1492","0.1653","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024144","10.0342","0.0006","20.4049","0.0012","42.599","0.003","90","","90","","90","","8722","0.9","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C41 H36 Cl6 O4 P2 Pd Ru -","- C41 H36 Cl5.5 O4 P2 Pd Ru -","- C328 H288 Cl44 O32 P16 Pd8 Ru8 -","8","1","","Delong Liu; Fang Xie; Wanbin Zhang","Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2007","72","","6992","6997","10.1021/jo0711440","","","0.71073","MoKα","","0.0945","0.0673","","","0.1258","0.1399","","","","","","1.019","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4026762","5.1842","0.0001","22.775","0.0004","30.4741","0.0004","90","","90","","90","","3598.08","0.11","296","2","296","2","","","","","","","","3","C 2 2 21","C 2c 2","20","cytospolide P","(3S,6R,9S,10R)-9-hydroxy-3-methyl-2,4-dioxo-10 -pentyloxecan-6-yl acetate","","- C17 H28 O6 -","- C17 H28 O6 -","- C136 H224 O48 -","8","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0463","0.0389","","","0.1038","0.1135","","","","","","1.032","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026977","9.1999","0.0018","16.063","0.003","19.924","0.004","90","","90","","90","","2944.3","1","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C22 H18 Cl4 N6 O6 -","- C22 H18 Cl4 N6 O6 -","- C88 H72 Cl16 N24 O24 -","4","0.5","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.0375","0.0365","","","0.0893","0.0902","","","","","","1.083","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4027214","18.343","0.003","19.435","0.004","36.805","0.007","90","","90","","90","","13121","4","122","2","122","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C64 H56 B F24 Ir N O2 P -","- C64 H56 B F24 Ir N O2 P -","- C512 H448 B8 F192 Ir8 N8 O16 P8 -","8","1","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0459","0.0354","","","0.0741","0.0775","","","","","","1.038","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027450","11.822","0.003","15.382","0.003","28.246","0.007","90","","90","","90","","5136","2","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H26 Cl3 N3 O -","- C28 H26 Cl3 N3 O -","- C224 H208 Cl24 N24 O8 -","8","1","","Hai-Liang Zhu; Jun-Bing Ling; Peng-Fei Xu","α-Oxo-γ-Butyrolactam, N-Containing Pronucleophile in Organocatalytic One-Pot Assembly of Butyrolactam-Fused Indoloquinolizidines","Journal of Organic Chemistry","2012","77","","7737","7743","10.1021/jo301192d","","","0.71073","MoKα","","0.0825","0.0472","","","0.1071","0.1243","","","","","","1.062","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4029109","10.607","0.0003","12.554","0.0003","19.315","0.0007","90","","90","","90","","2571.99","0.13","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H24 O4 -","- C12 H22 O4 -","- C96 H176 O32 -","8","1","","Miquet, Stéphanie; Brémond, Paul; Ayela, Benjamin; Marque, Sylvain R. A.; Audran, Gérard","Revised structure, total synthesis, and absolute configuration of kopeolin and kopeolone.","The Journal of organic chemistry","2014","79","5","2268","2273","10.1021/jo402572b","","","0.71073","MoKα","","0.0464","0.0453","","","0.1437","0.1456","","","","","","1.202","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4030109","10.1348","0.00019","17.309","0.0003","38.8028","0.0005","90","","90","","90","","6806.91","0.19","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H34 F N O9 S -","- C31 H34 F N O9 S -","- C248 H272 F8 N8 O72 S8 -","8","1","","Bai, Sha; Liao, Yuting; Lin, Lili; Luo, Weiwei; Liu, Xiaohua; Feng, Xiaoming","N,N'-Dioxide-Scandium(III)-Catalyzed Asymmetric Aza-Friedel-Crafts Reaction of Sesamol with Aldimines.","The Journal of organic chemistry","2014","79","21","10662","","10.1021/jo5020036","","x-ray","1.54184","CuKα","","0.0778","0.0714","","","0.1995","0.2123","","","","","","1.035","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030488","8.4327","0.0001","9.695","0.001","23.663","0.004","90","","90","","90","","1934.6","0.4","","","293","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Fe7 O28 P8 -","- Fe7 O28 P8 -","- Fe28 O112 P32 -","4","0.5","","Malaman, B.; Ijjaali, M.; Gerardin, R.; Venturini, G.; Gleitzer, C.","Fe7(P2O7)4, a mixed-valence iron diphosphate, the missing link between Fe2P2O7 and Fe3(P2O7)2","European Journal of Solid State and Inorganic Chemistry","1992","29","","1269","1284","","","x-ray","0.71019","MoKα","","","0.024","","","0.025","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4031928","10.7048","0.0007","13.9924","0.0008","18.8717","0.0013","90","","90","","90","","2826.7","0.3","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H42 Br2 N4 O -","- C28 H42 Br2 N4 O -","- C112 H168 Br8 N16 O4 -","4","0.5","","Abdulwahaab, Bassim H.; Burke, Benjamin P.; Domarkas, Juozas; Silversides, Jon D.; Prior, Timothy J.; Archibald, Stephen J.","Mono- and Bis-Alkylation of Glyoxal-Bridged Tetraazamacrocycles Using Mechanochemistry.","The Journal of organic chemistry","2016","81","3","890","898","10.1021/acs.joc.5b02464","","","0.71073","MoKα","","0.0842","0.0626","","","0.1441","0.1532","","","","","","0.914","","","","has coordinates","177265","2020-10-21","18:00:00",""
"4031963","8.503","0.002","19.136","0.004","24.138","0.005","90","","90","","90","","3927.6","1.5","170","2","170","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C21 H24 N2 O7 -","- C21 H24 N2 O7 -","- C168 H192 N16 O56 -","8","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0518","0.0458","","","0.1119","0.1179","","","","","","1.001","","","","has coordinates","181366","2020-10-21","18:00:00",""
"4033046","9.0459","0.0006","15.6351","0.0012","24.8362","0.0014","90","","90","","90","","3512.7","0.4","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H14 Br N O6 -","- C18 H14 Br N O6 -","- C144 H112 Br8 N8 O48 -","8","1","","Sivamuthuraman, Koilpitchai; Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Diastereo- and Enantioselective Synthesis of 2,2-Disubstituted Benzofuran-3-one Bearing Adjacent Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2017","82","20","10812","10822","10.1021/acs.joc.7b01105","","","0.71073","MoKα","","0.0752","0.0376","","","0.0671","0.076","","","","","","0.974","","","","has coordinates","202603","2020-10-21","18:00:00",""
"4033404","19.6068","0.0004","11.6765","0.0003","19.545","0.0004","90","","90","","90","","4474.61","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C43 H56 Cl2 N6 O10 -","- C43 H56 Cl2 N6 O10 -","- C172 H224 Cl8 N24 O40 -","4","0.5","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0573","0.0417","","","0.0989","0.1099","","","","","","1.032","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4034405","9.4881","0.0008","34.08","0.004","21.122","0.002","90","","90","","90","","6829.9","1.2","293","","293","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C75 H65 B F2 N2 -","- C75 H65 B F2 N2 -","- C300 H260 B4 F8 N8 -","4","0.5","","Miao, Wei; Feng, Yuanmei; Wu, Qinghua; Sheng, Wanle; Li, Mao; Liu, Qingyun; Hao, Erhong; Jiao, Lijuan","Phenanthro[<i>b</i>]-Fused BODIPYs through Tandem Suzuki and Oxidative Aromatic Couplings: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2019","84","15","9693","9704","10.1021/acs.joc.9b01425","","","0.71073","MoKα","","0.1163","0.069","","","0.1591","0.1828","","","","","","1.04","","","","has coordinates","222936","2020-10-21","18:00:00",""
"4034726","9.663","0.003","14.733","0.004","17.972","0.005","90","","90","","90","","2558.6","1.3","296.15","","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H9 N O2 S2 -","- C12 H9 N O2 S2 -","- C96 H72 N8 O16 S16 -","8","1","","Hu, Biao; Zhou, Pan; Zhang, Qiaohe; Wang, Yanqin; Zhao, Siyun; Lu, Lingling; Yan, Shengjiao; Yu, Fuchao","Metal-Free Oxidative Thioesterification of Methyl Ketones with Thiols/Disulfides for the Synthesis of α-Ketothioesters.","The Journal of organic chemistry","2018","83","24","14978","14986","10.1021/acs.joc.8b02235","","","0.71073","MoKα","","0.0506","0.0389","","","0.098","0.1077","","","","","","1.043","","","","has coordinates,has disorder","226249","2020-10-21","18:00:00",""
"4036374","17.2354","0.0002","25.5309","0.0003","16.9029","0.0002","90","","90","","90","","7437.87","0.15","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C74.5 H94 Fe4 Li4 N4 O8 -","- C72 H88 Fe4 Li4 N4 O8 -","- C288 H352 Fe16 Li16 N16 O32 -","4","0.5","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0355","0.0312","","","0.0712","0.073","","","","","","1.061","","","","has coordinates","264764","2021-05-03","08:11:05",""
"4036508","13.1234","0.0004","15.3338","0.0004","16.3896","0.0005","90","","90","","90","","3298.11","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","1,1'-Biphenyl-2,2'-diamine bis(trifluoromethylacetamide)","","- C16 H10 F6 N2 O2 -","- C16 H10 F6 N2 O2 -","- C128 H80 F48 N16 O16 -","8","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0464","0.0356","","","0.0838","0.0943","","","","","","1.065","","","","has coordinates,has disorder","276330","2022-06-28","15:14:20",""
"4036680","7.1107","0.0011","16.739","0.003","23.312","0.004","90","","90","","90","","2774.7","0.8","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","10","","","- C33 H38 Cl N3 O2 -","- C33 H38 Cl N3 O2 -","- C132 H152 Cl4 N12 O8 -","4","0.5","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0674","0.0492","","","0.0969","0.1062","","","","","","1.049","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036961","11.0134","0.0004","14.8591","0.0005","31.472","0.001","90","","90","","90","","5150.4","0.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C48 H50 I2 N2 O15 S4 -","- C48 H50 I2 N2 O15 S4 -","- C192 H200 I8 N8 O60 S16 -","4","0.5","","Romero, R Martín; Souto, José A; Muñiz, Kilian","Substitution Effects of Hypervalent Iodine(III) Reagents in the Diamination of Styrene.","The Journal of organic chemistry","2016","81","14","6118","6122","10.1021/acs.joc.6b01070","","","0.71073","MoKα","","0.0306","0.0297","","","0.0852","0.093","","","","","","1.252","","","","has coordinates","235477","2020-10-21","18:00:00",""
"4037720","18.3998","0.0013","22.4395","0.0013","9.6817","0.0006","90","","90","","90","","3997.4","0.4","100","","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C192 H176 N32 O16 -","8","1","","Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G.","Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01928","","x-ray","1.54178","CuKα","","0.0281","0.0267","","","0.0662","0.0674","","","","","","1.076","","","","has coordinates","245539","2020-10-21","18:00:00",""
"4038123","8.351","0.004","21.414","0.006","13.48","0.004","90","","90","","90","","2410.6","1.5","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C33 H18 O4 -","- C33 H18 O4 -","- C132 H72 O16 -","4","0.5","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0375","0.0362","","","0.1175","0.1194","","","","","","1.071","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038889","13.4355","0.0004","14.6914","0.0004","19.5353","0.0006","90","","90","","90","","3856","0.2","100","0.2","100","0.2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C192 H168 N8 O24 -","8","1","","Liu, Yu-Te; Cheng, Chi-Wei; Lu, Huan-Chang; Chang, Ting-Yu; Chen, Chun-Ying; Yang, Hao-Chun; Yu, Shih-Hsien; Zehra, Syeda; Liu, Shu-Hui; Leung, Man-Kit; Lee, Kwang-Ming; Chen, Hsiu-Hui","One-Pot CuI/DBU-Catalyzed Carboxylative Cyclization toward Oxazolidinones Using Recyclable Molecular Sieves as Efficient Promoters for Fixation of CO2 in Water Medium","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01833","","","1.54178","CuKα","","0.0262","0.0256","","","0.0662","0.0667","","","","","","1.093","","","","has coordinates","258348","2020-10-21","18:00:00",""
"4038998","18.3893","0.0004","18.6897","0.0005","12.66","0.0003","90","","90","","90","","4351.12","0.18","150","","150","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C25.5 H20 O5.5 -","- C25.5 H20 O5.5 -","- C204 H160 O44 -","8","1","","Néron, Sébastien; Morency, Mathieu; Chen, Liguo; Maris, Thierry; Rocherfort, Dominic; Iftimie, Radu; Wuest, James D.","Diphenoquinone Redux","Journal of Organic Chemistry","2022","87","","7673","7695","10.1021/acs.joc.2c00260","","x-ray","1.34139","GaKα","","0.0473","0.0467","","","0.1283","0.1297","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","276090","2022-06-18","15:03:08",""
"4060200","12.4723","0.001","17.2458","0.001","18.0452","0.001","90","","90","","90","","3881.4","0.4","200","2","200","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Pentakis(tetrahydrofuran)europium undecacarbonyl(tetracobalt)","","","- C31 H40 Co4 Eu O16 -","- C31 H36 Co4 Eu O16 -","- C124 H144 Co16 Eu4 O64 -","4","0.5","","Christine E. Plečnik; Shengming Liu; Xuenian Chen; Edward A. Meyers; Sheldon G. Shore","Lanthanide-Transition-Metal Carbonyl Complexes: New [Co4(CO)11]2- Clusters and Lanthanide(II) Isocarbonyl Polymeric Arrays","Journal of the American Chemical Society","2004","126","","204","213","10.1021/ja0304852","","","0.71073","MoKα","","0.0444","0.033","","","0.0679","0.0712","","","","","","1.035","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060232","12.7813","0.001","13.8254","0.0008","16.7924","0.0014","90","","90","","90","","2967.3","0.4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H8 Fe2 O5 -","- C17 H8 Fe2 O5 -","- C136 H64 Fe16 O40 -","8","1","","Niibayashi, Shota; Matsubara, Kouki; Haga, Masa-aki; Nagashima, Hideo","Thermally Reversible Photochemical Haptotropic Rearrangement of Diiron Carbonyl Complexes Bearing a Bridging Acenaphthylene or Aceanthrylene Ligand","Organometallics","2004","23","4","635","646","10.1021/om034117i","","","0.71069","MoKα","","0.0386","0.0332","","","0.0745","0.0766","","","","","","1.063","","","","has coordinates","210386","2020-10-21","18:00:00",""
"4060628","14.581","0.003","22.782","0.005","12.847","0.003","90","","90","","90","","4267.6","1.5","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C47 H74 Li2 N4 -","- C47 H74 Li2 N4 -","- C188 H296 Li8 N16 -","4","0.5","","Carsten Strohmann; Stefan Dilsky; Katja Strohfeldt","Crystal Structures of [PhLi·(−)-sparteine]2, [PhOLi·(−)-sparteine]2, and the Mixed Aggregate [PhLi·PhOLi·2(−)-sparteine]","Organometallics","2006","25","","41","","10.1021/om050794w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061258","15.192","0.006","22.41","0.01","11.173","0.005","90","","90","","90","","3804","3","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C38 H30 N6 Si -","- C38 H30 N6 Si -","- C152 H120 N24 Si4 -","4","0.5","","","","Organometallics","2004","","","","","10.1021/om0494216","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061722","13.1193","0.0006","17.4889","0.0007","22.9015","0.001","90","","90","","90","","5254.6","0.4","140","2","140","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C56 H70 Al4 N2 O3 -","- C56 H70 Al4 N2 O3 -","- C224 H280 Al16 N8 O12 -","4","0.5","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4064119","11.188","0.003","35.056","0.01","16.275","0.005","90","","90","","90","","6383","3","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C60 H80 Ca K2 N4 O -","- C60 H80 Ca K2 N4 O -","- C240 H320 Ca4 K8 N16 O4 -","4","0.5","","Liu, Yanyan; Zhao, Yanxia; Yang, Xiao-Juan; Li, Shaoguang; Gao, Jing; Yang, Peiju; Xia, Yana; Wu, Biao","Calcium Complexes of Noninnocent α-Diimine Ligands","Organometallics","2011","30","6","1599","","10.1021/om101139n","","","0.71073","MoKα","","0.2055","0.0662","","","0.1362","0.1995","","","","","","0.948","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064702","23.8228","0.0019","24.848","0.002","24.213","0.002","90","","90","","90","","14333","2","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C132 H200 K2 La2 O18 -","- C132 H184 K2 La2 O18 -","- C528 H736 K8 La8 O72 -","4","0.5","","Xu, Bin; Huang, Lingling; Yang, Zijian; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Structural Diversity of Heterobimetallic Lanthanide‒Potassium Complexes and Catalytic Activity for Amidation of Aldehydes with Amines","Organometallics","2011","30","13","3588","","10.1021/om200283j","","","0.7107","MoKα","","0.0998","0.087","","","0.2233","0.2312","","","","","","1.169","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064734","9.1768","0.0003","16.9657","0.0006","27.8831","0.0011","90","","90","","90","","4341.1","0.3","123","2","123","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H23 O7 P Si2 W -","- C14 H23 O7 P Si2 W -","- C112 H184 O56 P8 Si16 W8 -","8","1","","Duan, Lili; Schnakenburg, Gregor; Streubel, Rainer","Generation and Decomposition of Li/OR Phosphinidenoid Complexes","Organometallics","2011","30","12","3246","","10.1021/om200300m","","","0.71073","MoKα","","0.0214","0.0201","","","0.0438","0.0442","","","","","","1.014","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4066280","15.151","0.002","18.936","0.003","15.576","0.003","90","","90","","90","","4468.7","1.3","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C47 H59 N5 O2 Zr -","- C47 H59 N5 O2 Zr -","- C188 H236 N20 O8 Zr4 -","4","0.5","","Leitch, David C.; Schafer, Laurel L.","Zirconium Alkyl Complexes Supported by Ureate Ligands: Synthesis, Characterization, and Precursors to Metal−Element Multiple Bonds†","Organometallics","2010","29","21","5162","","10.1021/om100381d","","","0.71073","MoKα","","0.0321","0.0257","","","0.0645","0.0697","","","","","","1.091","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066999","15.266","0.005","18.163","0.006","15.374","0.005","90","","90","","90","","4263","2","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C46 H38 O2 Y2 -","- C46 H38 O2 Y2 -","- C184 H152 O8 Y8 -","4","0.5","","Li, Xiaoqing; Hong, Jianquan; Liu, Ruiting; Weng, Linhong; Zhou, Xigeng","Reactions of Cp3Y with Benzophenone: A Simple and Efficient Method for Transformation of Unsubstituted Cyclopentadienyl to Bridgedansa-Cyclopentadienyl/Alkoxyl Ligand","Organometallics","2010","29","20","4606","","10.1021/om100755s","","","0.71073","MoKα","","0.0674","0.0407","","","0.0592","0.0615","","","","","","0.982","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4067362","12.5121","0.0016","22.639","0.003","21.756","0.003","90","","90","","90","","6162.6","1.4","180","2","180","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C72 H72 Cl2 N4 O P2 Ru -","- C72 H72 Cl2 N4 O P2 Ru -","- C288 H288 Cl8 N16 O4 P8 Ru4 -","4","0.5","","Praetorius, Jeremy M.; Wang, Ruiyao; Crudden, Cathleen M.","Benzimidazoles as Ligands in the Ruthenium-Catalyzed Enantioselective Bifunctional Hydrogenation of Ketones","Organometallics","2010","29","3","554","","10.1021/om900897b","","","0.71073","MoKα","","0.0671","0.0446","","","0.0898","0.1","","","","","","1.022","","","","has coordinates,has disorder","178564","2020-10-21","18:00:00",""
"4067840","21.897","0.003","25.195","0.003","17.378","0.003","90","","90","","90","","9587","2","123","2","123","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55 H47 N4 O2 Rh -","- C55 H47 N4 O2 Rh -","- C440 H376 N32 O16 Rh8 -","8","1","","Fung, Hong Sang; Li, Bao Zhu; Chan, Kin Shing","Mild and Selective C(CO)‒C(α) Bond Cleavage of Ketones by Rhodium(III) Porphyrins: Scope and Mechanism","Organometallics","2012","31","2","570","","10.1021/om200788p","","","0.71073","MoKα","","0.0847","0.0697","","","0.1914","0.2029","","","","","","1.097","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4068174","9.599","0.004","19.149","0.009","26.346","0.01","90","","90","","90","","4843","4","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C42 H54 F6 N6 Ni O6 P4 S2 -","- C42 H54 F6 N6 Ni O6 P4 S2 -","- C168 H216 F24 N24 Ni4 O24 P16 S8 -","4","0.5","","Doud, Michael D.; Grice, Kyle A.; Lilio, Alyssia M.; Seu, Candace S.; Kubiak, Clifford P.","Versatile Synthesis of PR2NR′2Ligands for Molecular Electrocatalysts with Pendant Bases in the Second Coordination Sphere","Organometallics","2012","31","3","779","","10.1021/om201168h","","","0.71073","MoKα","","0.0427","0.0316","","","0.0725","0.1","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069007","13.261","0.003","20.409","0.004","21.194","0.004","90","","90","","90","","5736","2","200","2","200","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C57 H59 B2 F8 O5 P4 Rh2 -","- C57 H59 B2 F8 O5 P4 Rh2 -","- C228 H236 B8 F32 O20 P16 Rh8 -","4","0.5","","Preetz, Angelika; Baumann, Wolfgang; Fischer, Christian; Drexler, Hans-Joachim; Schmidt, Thomas; Thede, Richard; Heller, Detlef","Asymmetric Hydrogenation. Dimerization of Solvate Complexes: Synthesis and Characterization of Dimeric [Rh(DIPAMP)]22+, a Valuable Catalyst Precursor","Organometallics","2009","28","13","3673","","10.1021/om801199q","","","0.71073","MoKα","","0.0421","0.0307","","","0.0524","0.0543","","","","","","0.891","","","","has coordinates,has disorder","178507","2020-10-21","18:00:00",""
"4074041","20.337","0.002","29.842","0.003","11.485","0.001","90","","90","","90","","6970.2","1.2","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C28.48 H39.19 I2 N2 O0.12 P2 Pt -","- C28 H38 I2 N2 P2 Pt -","- C224 H304 I16 N16 P16 Pt8 -","8","1","","Brissy, Delphine; Skander, Myriem; Retailleau, Pascal; Marinetti, Angela","N-Heterocyclic Carbenes in the Synthesis of Axially Chiral Square-Planar Platinum Complexes","Organometallics","2007","26","24","5782","","10.1021/om700839y","","","0.71069","MoKα","","0.041","0.031","","","0.0675","0.0708","","","","","","1.049","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074874","10.4452","0.0006","18.4475","0.0012","42.096","0.002","90","","90","","90","","8111.4","0.8","293","2","293","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C44 H45 B F4 N2 O2 P2 Pt -","- C44 H45 B F4 N2 O2 P2 Pt -","- C352 H360 B8 F32 N16 O16 P16 Pt8 -","8","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.06","0.0451","","","0.0908","0.0961","","","","","","1.036","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074962","12.31","0.0015","22.511","0.002","47.384","0.006","90","","90","","90","","13131","3","200","2","200","2","","","","","","","","9","C 2 2 21","C 2c 2","20","[Ru(PNNP)(OH2)2](SbF6)2","","","- C52.5 H37 Cl F36 N2 O2 P2 Ru Sb2 -","- C52.929 H36 Cl1.858 F38.078 N2 O2 P2 Ru Sb2.37 -","- C423.432 H288 Cl14.864 F304.624 N16 O16 P16 Ru8 Sb18.96 -","8","1","","Bonaccorsi, Cristina; Santoro, Francesco; Gischig, Sebastian; Mezzetti, Antonio","Chiral Dicationic Bis(aqua) Complexes [Ru(OH2)2(PNNP)]2+: The Effect of Double Chloride Abstraction on Asymmetric Cyclopropanation","Organometallics","2006","25","8","2002","","10.1021/om0510627","","","0.71073","MoKα","","0.064","0.0543","","","0.1246","0.1312","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075851","16.7","0.003","23.066","0.005","21.127","0.004","90","","90","","90","","8138","3","120","2","120","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C65 H32 Cl6 N2 O28 P2 Rh12 -","- C65 H26 Cl6 N2 O28 P2 Rh12 -","- C260 H104 Cl24 N8 O112 P8 Rh48 -","4","0.5","","Koshevoy, Igor O.; Haukka, Matti; Pakkanen, Tapani A.; Tunik, Sergey P.; Vainiotalo, Pirjo","Supermolecular Assembly of Tetra- and Hexanuclear Carbonyl Clusters Using a Novel Polydentate Pyridylphosphine Ligand","Organometallics","2005","24","14","3516","","10.1021/om0502032","","","0.71073","MoKα","","0.0387","0.0311","","","0.0643","0.0674","","","","","","1.045","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075958","17.443","0.003","20.752","0.004","23.465","0.005","90","","90","","90","","8494","3","180","2","180","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H83 N P2 Ru Si2 -","- C40 H83 N P2 Ru Si2 -","- C320 H664 N8 P16 Ru8 Si16 -","8","1","","Ayed, Tahra; Barthelat, Jean-Claude; Tangour, Bahoueddine; Pradère, Caroline; Donnadieu, Bruno; Grellier, Mary; Sabo-Etienne, Sylviane","Structure and Bonding in a Disilazane Ruthenium Complex. Catalytic Selective Deuteration of Disilazane","Organometallics","2005","24","16","3824","","10.1021/om050361t","","","0.71073","MoKα","","0.0673","0.0387","","","0.0575","0.0632","","","","","","0.863","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4077022","7.737","0.002","11.958","0.003","15.786","0.004","90","","90","","90","","1460.5","0.6","143","1","143","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H24 Cl2 Cu N2 -","- C12 H24 Cl2 Cu N2 -","- C48 H96 Cl8 Cu4 N8 -","4","0.5","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0275","0.0229","","0.0461","0.045","","","","0.948","0.977","0.977","","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4078272","14.936","0.005","28.367","0.01","22.525","0.01","90","","90","","90","","9544","6","150","","150","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C108 H132 In4 O10 -","- C108 H124 In4 O10 -","- C432 H496 In16 O40 -","4","0.5","","Ahmad, S. Usman; Beckmann, Jens; Duthie, Andrew","Concomitant Reactivity of them-Terphenylindium Dihydroxide [2,6-Mes2C6H3In(OH)2]4toward Carbon Dioxide and Ethylene Glycol","Organometallics","2012","31","9","3802","","10.1021/om3001857","","","0.71073","MoKα","","0.0685","0.0323","","","0.0583","0.0737","","","","","","0.825","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078929","13.735","0.008","17.118","0.008","20.647","0.011","90","","90","","90","","4854","4","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C49 H76 P4 Pt -","- C49 H76 P4 Pt -","- C196 H304 P16 Pt4 -","4","0.5","","Chapp, Timothy W.; Schoenfeld, Adam J.; Sanderson, Matthew D.; Chang, Cory L.; Glueck, David S.; Golen, James A.; Moore, Curtis E.; Rheingold, Arnold L.","Synthesis, Structure, Dynamics, and Selective Methylation of Platinum and Palladium Diphosphametallacyclobutane Complexes","Organometallics","2012","31","15","5573","","10.1021/om3005367","","","0.71073","MoKα","","0.0198","0.018","","","0.0372","0.0379","","","","","","1.002","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4079073","12.2271","0.0003","17.1048","0.0004","29.5106","0.0007","90","","90","","90","","6171.9","0.3","223","2","223","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C50 H84 Cl4 Fe2 N2 O3 Si4 Zr -","- C50 H84 Cl4 Fe2 N2 O3 Si4 Zr -","- C200 H336 Cl16 Fe8 N8 O12 Si16 Zr4 -","4","0.5","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.1103","0.103","","","0.2409","0.2463","","","","","","1.121","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4080635","13.9076","0.0008","23.8618","0.0013","22.5455","0.0012","90","","90","","90","","7482","0.7","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","PdNeoBoxH","","","- C28 H34 F6 N4 O12 Pd2 S2 -","- C28 H34 F6 N4 O12 Pd2 S2 -","- C224 H272 F48 N32 O96 Pd16 S16 -","8","1","","De Crisci, Antonio G.; Chung, Kevin; Oliver, Allen G.; Solis-Ibarra, Diego; Waymouth, Robert M.","Chemoselective Oxidation of Polyols with Chiral Palladium Catalysts","Organometallics","2013","32","7","2257","","10.1021/om4001549","","","1.54178","CuKα","","0.0755","0.0573","","","0.1384","0.1483","","","","","","1.039","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080660","9.5037","0.0012","24.321","0.003","83.46","0.01","90","","90","","90","","19291","4","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C576 H1024 Ag32 F192 N128 P32 -","32","4","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","1.54178","CuKα","","0.1113","0.1071","","","0.2503","0.2545","","","","","","1.095","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4082877","26.364","0.007","40.635","0.011","41.437","0.01","90","","90","","90","","44392","2","153","2","153","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C149 H140 Cl6 F24 N2 P16 Pt6 -","- C149 H140 Cl6 F24 N2 P16 Pt6 -","- C1192 H1120 Cl48 F192 N16 P128 Pt48 -","8","1","","Goto, Eri; Begum, Rowshan Ara; Ueno, Chiaki; Hosokawa, Aya; Yamamoto, Chie; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Kajiwara, Takashi; Tanase, Tomoaki","Electron-Deficient Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd) Supported by Triphosphine Ligands","Organometallics","2014","33","8","1893","","10.1021/om401211d","","","0.71075","MoKα","","","0.0729","","","","0.2224","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082878","26.407","0.0009","40.588","0.0013","41.3526","0.0013","90","","90","","90","","44322","2","153","2","153","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C151 H144 Cl10 F24 N2 P16 Pd2 Pt4 -","- C151 H144 Cl10 F24 N2 P16 Pd2 Pt4 -","- C1208 H1152 Cl80 F192 N16 P128 Pd16 Pt32 -","8","1","","Goto, Eri; Begum, Rowshan Ara; Ueno, Chiaki; Hosokawa, Aya; Yamamoto, Chie; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki; Kajiwara, Takashi; Tanase, Tomoaki","Electron-Deficient Pt2M2Pt2Hexanuclear Metal Strings (M = Pt, Pd) Supported by Triphosphine Ligands","Organometallics","2014","33","8","1893","","10.1021/om401211d","","","0.7107","MoKα","","","0.0887","","","","0.2487","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4084539","20.4589","0.0007","17.3014","0.0006","14.5749","0.0006","90","","90","","90","","5159","0.3","147","2","147","2","","","","","","","","9","C 2 2 21","C 2c 2","20","","","","- C57 H58 B Br F4 Fe N2 O2 P2 -","- C57 H58 B Br F4 Fe N2 O2 P2 -","- C228 H232 B4 Br4 F16 Fe4 N8 O8 P8 -","4","0.5","","Sonnenberg, Jessica F.; Lough, Alan J.; Morris, Robert H.","Synthesis of Iron P-N-P′ and P-NH-P′ Asymmetric Hydrogenation Catalysts","Organometallics","2014","33","22","6452","","10.1021/om5008083","","","0.71073","MoKα","","0.046","0.042","","","0.1017","0.1034","","","","","","1.145","","","","has coordinates,has disorder","178734","2020-10-21","18:00:00",""
"4084886","7.2991","0.0008","10.1695","0.0011","27.408","0.004","90","","90","","90","","2034.4","0.4","100","2","100","2","","","","","","","synthetical product","4","C 2 2 21","C 2c 2","20","","1,3-bis(1,1-dimethylpentyl)-1,1,3,3-tetrahydroxydisiloxane","","- C14 H34 O5 Si2 -","- C14 H34 O5 Si2 -","- C56 H136 O20 Si8 -","4","0.5","","Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf","Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.","Organometallics","2014","33","24","7299","7306","10.1021/om5010918","","","0.71073","MoKα","","0.0711","0.0685","","","0.1733","0.1752","","","","","","1.089","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4085163","9.8671","0.0003","12.8873","0.0004","44.7904","0.0013","90","","90","","90","","5695.6","0.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H48 N P Si Zr -","- C28 H48 N P Si Zr -","- C224 H384 N8 P8 Si8 Zr8 -","8","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.0486","0.0451","","","0.0755","0.0764","","","","","","1.265","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085624","12.4002","0.0003","19.0341","0.0006","24.7514","0.0012","90","","90","","90","","5842","0.4","291","2","291.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C58 H49 Cl8 N5 P2 Ru -","- C58 H47 Cl8 N5 P2 Ru -","- C232 H188 Cl32 N20 P8 Ru4 -","4","0.5","","Li, Ke; Niu, Jun-Long; Yang, Ming-Ze; Li, Zhen; Wu, Li-Yuan; Hao, Xin-Qi; Song, Mao-Ping","New Type of 2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine-Based Ruthenium Complexes: Active Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2015","34","7","1170","","10.1021/om501119x","","","0.7107","MoKα","","0.0508","0.0438","","","0.1042","0.1082","","","","","","1.042","","","","has coordinates,has disorder","178745","2020-10-21","18:00:00",""
"4086151","12.167","0.004","14.734","0.004","20.615","0.006","90","","90","","90","","3695.6","1.9","173","","173","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C33 H60 Mo N12 -","- C33 H60 Mo N12 -","- C132 H240 Mo4 N48 -","4","0.5","","Ohki, Yasuhiro; Aoyagi, Keiya; Seino, Hidetake","Synthesis and Protonation of N-Heterocyclic-Carbene-Supported Dinitrogen Complexes of Molybdenum(0)","Organometallics","2015","34","13","3414","","10.1021/acs.organomet.5b00391","","","0.71075","MoKα","","0.0664","0.0513","","","0.1031","0.1109","","","","","","1.016","","","","has coordinates","152772","2020-10-21","18:00:00",""
"4086238","25.462","0.003","35.443","0.003","21.8849","0.0018","90","","90","","90","","19750","3","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C174 H132 Ag5 Br5 N12 -","- C174 H132 Ag5 Br5 N12 -","- C696 H528 Ag20 Br20 N48 -","4","0.5","","Grande-Carmona, Francisca; Iglesias-Sigüenza, Javier; Álvarez, Eleuterio; Díez, Elena; Fernández, Rosario; Lassaletta, José","Synthesis and Characterization of Axially Chiral Imidazoisoquinolin-2-ylidene Silver and Gold Complexes","Organometallics","2015","","","150924155910003","","10.1021/acs.organomet.5b00681","","","0.71073","MoKα","","0.0997","0.0693","","","0.1565","0.1675","","","","","","0.953","","","","has coordinates","158436","2020-10-21","18:00:00",""
"4086596","21.954","0.002","25.303","0.002","17.5417","0.0017","90","","90","","90","","9744.5","1.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55 H47 Co N4 O2 -","- C55 H47 Co N4 O2 -","- C440 H376 Co8 N32 O16 -","8","1","","Lee, Siu Yin; Fung, Hong Sang; Feng, Shiyu; Chan, Kin Shing","Visible Light Photocatalysis of Carbon‒Carbon σ-Bond Anaerobic Oxidation of Ketones with Water by Cobalt(II) Porphyrins","Organometallics","2016","35","15","2480","","10.1021/acs.organomet.6b00352","","","0.71073","MoKα","","0.1237","0.0837","","","0.2269","0.2614","","","","","","1.052","","","","has coordinates","186258","2020-10-21","18:00:00",""
"4087062","15.0428","0.0003","19.654","0.0004","15.1897","0.0003","90","","90","","90","","4490.85","0.16","291","2","291","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C48 H36 Cl2 N2 O4 Pd2 -","- C48 H36 Cl2 N2 O4 Pd2 -","- C192 H144 Cl8 N8 O16 Pd8 -","4","0.5","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","1.54184","CuKα","","0.0426","0.0416","","","0.1106","0.1123","","","","","","1.056","","","","has coordinates","192256","2020-10-21","18:00:00",""
"4087636","16.145","0.005","16.399","0.005","18.23","0.006","90","","90","","90","","4827","3","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C48 H70 Fe K O4 S2 Y -","- C48 H70 Fe K O4 S2 Y -","- C192 H280 Fe4 K4 O16 S8 Y4 -","4","0.5","","Wang, Xinke; Brosmer, Jonathan L.; Thevenon, Arnaud; Diaconescu, Paula L.","Highly Active Yttrium Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and δ-Valerolactone","Organometallics","2015","34","19","4700","","10.1021/acs.organomet.5b00442","","","0.71073","MoKα","","0.0603","0.0569","","","0.1509","0.1524","","","","","","1.072","","","","has coordinates","236892","2020-10-21","18:00:00",""
"4088679","17.1993","0.0003","28.0554","0.0005","18.4489","0.0003","90","","90","","90","","8902.2","0.3","150","","150","","","","","","","","SYN","3","C 2 2 21","C 2c 2","20","","","","- C28 H36 Hf -","- C28 H36 Hf -","- C448 H576 Hf16 -","16","2","","Chadwick, F. Mark; Cooper, Robert T.; O’Hare, Dermot","Zirconium and Hafnium Permethylpentalene Compounds","Organometallics","2016","35","12","2092","","10.1021/acs.organomet.6b00301","","","0.71073","MoKα","","0.0879","0.0669","","0.2363","0.1889","0.2361","","","","","","0.9683","","","","has coordinates","237762","2020-10-21","18:00:00",""
"4100058","16.448","0.004","19.038","0.004","19.669","0.004","90","","90","","90","","6159","2","173","2","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H42 I2 Ni2 Si4 -","- C18 H42 I2 Ni2 Si4 -","- C144 H336 I16 Ni16 Si32 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044308s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100258","12.81","0.005","24.332","0.005","18.638","0.005","90","","90","","90","","5809","3","173","2","173","2","","","","","","","","8","C 2 2 21","C 2c 2","20","05073","","","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C132 H288 Cl24 Cu12 F72 N24 P12 S8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100392","8.3325","0.001","15.3628","0.0017","31.061","0.004","90","","90","","90","","3976.1","0.8","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C36 H56 B2 F8 O6 Rh2 -","- C36 H56 B2 F8 O6 Rh2 -","- C144 H224 B8 F32 O24 Rh8 -","4","0.5","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100599","9.793","0.0001","14.426","0.0002","29.275","0.0005","90","","90","","90","","4135.79","0.1","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H31 N O -","- C24 H31 N O -","- C192 H248 N8 O8 -","8","1","","","Efficient Synthesis of Optically Active Atropisomeric Anilides through Catalytic Asymmetric N-Arylation Reaction","Journal of the American Chemical Society","2005","","","","","10.1021/ja042216x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4102389","9.997","0.0014","20.717","0.004","39.968","0.006","90","","90","","90","","8278","2","150","2","150","2","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C60 Cl10 -","- C60 Cl10 -","- C480 Cl80 -","8","1","","Igor V. Kuvychko; Alexey V. Streletskii; Natalia B. Shustova; Konrad Seppelt; Thomas Drewello; Alexey A. Popov; Steven H. Strauss; Olga V. Boltalina","Soluble Chlorofullerenes C~60~Cl~2,4,6,8,10~. Synthesis, Purification, Compositional Analysis, Stability, and Experimental/Theoretical Structure Elucidation, Including the X-ray Structure of C~1~-C~60~Cl~10~","Journal of the American Chemical Society","2010","132","","6443","6462","10.1021/ja1005256","","","0.7749","synchrotron","","0.1418","0.0888","","","0.2049","0.2251","","","","","","1.072","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102937","15.0114","0.0019","26.305","0.003","24.52","0.003","90","","90","","90","","9682","2","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C44 H60.5 Br2 Cl4 N4 O2.5 -","- C44 H61 Br2 Cl3.7 N4 O1.7 -","- C352 H488 Br16 Cl29.6 N32 O13.6 -","8","1","","Qing-Feng Wu; Hu He; Wen-Bo Liu; Shu-Li You","Enantioselective Construction of Spiroindolenines by Ir-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2010","132","","11418","11419","10.1021/ja105111n","","","0.71073","MoKα","","0.263","0.0758","","","0.1846","0.2279","","","","","","0.659","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4103444","9.6631","0.0004","12.2031","0.0004","9.9913","0.0004","90","","90","","90","","1178.17","0.08","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Be0.25 K0.5 O3.75 Si -","- Be2 K4 O26 Si8 -","- Be4 K8 O52 Si16 -","2","0.25","","Jennifer A. Armstrong; Mark T. Weller","Beryllosilicate Frameworks and Zeolites","Journal of the American Chemical Society","2010","132","","15679","15686","10.1021/ja106313p","","","0.71073","MoKα","","0.0346","0.0325","","","0.0818","0.0833","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103707","13.167","0.015","17.558","0.019","13.564","0.016","90","","90","","90","","3136","6","183","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H24 Ca N2 O16 Zn2 -","- C24 H24 Ca N2 O16 Zn2 -","- C96 H96 Ca4 N8 O64 Zn8 -","4","0.5","","Ruqiang Zou; Ruiqin Zhong; Songbai Han; Hongwu Xu; Anthony K. Burrell; Neil Henson; Jonathan L. Cape; Donald D. Hickmott; Tatiana V. Timofeeva; Toti E. Larson; Yusheng Zhao","A Porous Metal-Organic Replica of α-PbO2 for Capture of Nerve Agent Surrogate","Journal of the American Chemical Society","2010","132","","17996","17999","10.1021/ja101440z","","","0.71073","MoKα","","0.0658","0.0618","","","0.1569","0.1608","","","","","","1.029","","","","has coordinates,has disorder","178783","2020-10-21","18:00:00",""
"4104411","29.389","0.003","43.595","0.005","45.965","0.005","90","","90","","90","","58891","11","113","2","113","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C144 H484 Br12 Cl18 Er60 N34 O354 -","- C140 H340 Er60 N34 O232 -","- C560 H1360 Er240 N136 O928 -","4","0.5","","Xiang-Jian Kong; Yinglan Wu; La-Sheng Long; Lan-Sun Zheng; Zhiping Zheng","A Chiral 60-Metal Sodalite Cage Featuring 24 Vertex-Sharing [Er4(μ3-OH)4] Cubanes","Journal of the American Chemical Society","2009","131","","6918","6919","10.1021/ja901214d","","","0.71073","MoKα","","0.114","0.0633","","","0.1271","0.141","","","","","","1.036","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104412","29.2379","0.0003","43.3554","0.0006","46.0899","0.0005","90","","90","","90","","58424.5","1.2","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C144 H484 Br12 Cl18 Er60 N34 O354 -","- C140 H340 Er60 N34 O238 -","- C560 H1360 Er240 N136 O952 -","4","0.5","","Xiang-Jian Kong; Yinglan Wu; La-Sheng Long; Lan-Sun Zheng; Zhiping Zheng","A Chiral 60-Metal Sodalite Cage Featuring 24 Vertex-Sharing [Er4(μ3-OH)4] Cubanes","Journal of the American Chemical Society","2009","131","","6918","6919","10.1021/ja901214d","","","1.54178","CuKα","","0.1164","0.1042","","","0.2441","0.2529","","","","","","1.058","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4105070","9.0746","0.0003","17.4596","0.0005","36.6618","0.001","90","","90","","90","","5808.7","0.3","295","2","295","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C29 H33 Br N2 O6 -","- C29 H33 Br N2 O6 -","- C232 H264 Br8 N16 O48 -","8","1","","Xiao-Hua Chen; Qiang Wei; Shi-Wei Luo; Han Xiao; Liu-Zhu Gong","Organocatalytic Synthesis of Spiro[pyrrolidin-3,3'-oxindoles] with High Enantiopurity and Structural Diversity","Journal of the American Chemical Society","2009","131","","13819","13825","10.1021/ja905302f","","","1.54184","CuKα","","0.1454","0.074","","","0.1609","0.1772","","","","","","1.056","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105178","7.6418","0.001","9.9656","0.0013","7.2395","0.0009","90","","90","","90","","551.33","0.12","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C4 H4 Ca O6 -","- C4 H4 Ca O6 -","- C16 H16 Ca4 O24 -","4","0.5","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0477","0.0468","","","0.1201","0.1213","","","","","","1.063","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105184","7.8865","0.001","10.0448","0.001","7.5186","0.0008","90","","90","","90","","595.61","0.12","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C4 H4 O6 Sr -","- C4 H4 O6 Sr -","- C16 H16 O24 Sr4 -","4","0.5","","Leah N. Appelhans; Monica Kosa; A. V. Radha; Petra Simoncic; Alexandra Navrotsky; Michele Parrinello; Anthony K. Cheetham","Phase Selection and Energetics in Chiral Alkaline Earth Tartrates and Their Racemic and Meso Analogues: Synthetic, Structural, Computational, and Calorimetric Studies","Journal of the American Chemical Society","2009","131","","15375","15386","10.1021/ja905690t","","","0.71073","MoKα","","0.0274","0.0265","","","0.0677","0.0683","","","","","","1.087","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105689","14.158","0.01","21.005","0.014","18.336","0.012","90","","90","","90","","5453","6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27.4 H26.8 Cl0.8 N4 O7 -","- C27.4 H26.8 Cl0.8 N4 O7 -","- C219.2 H214.4 Cl6.4 N32 O56 -","8","1","","Xue Gao; Yit-Heng Chooi; Brian D. Ames; Peng Wang; Christopher T. Walsh; Yi Tang","Fungal Indole Alkaloid Biosynthesis: Genetic and Biochemical Investigation of the Tryptoquialanine Pathway in Penicillium aethiopicum","Journal of the American Chemical Society","2011","133","","2729","2741","10.1021/ja1101085","","","0.71073","MoKα","","0.0765","0.0491","","","0.1414","0.1666","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4105845","18.4918","0.0014","26.861","0.002","41.776","0.003","90","","90","","90","","20750","3","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H0 N7 O10 Ru0.5 Zn2 -","- C40.066 N7.006 O10 Ru0.499 Zn2 -","- C320.528 N56.048 O80 Ru3.992 Zn16 -","8","1","","Cheng Wang; Wenbin Lin","Diffusion-Controlled Luminescence Quenching in Metal-Organic Frameworks","Journal of the American Chemical Society","2011","133","","4232","4235","10.1021/ja111197d","","","1.54178","CuKα","","0.188","0.1472","","","0.3545","0.3907","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107012","12.803","0.003","24.319","0.007","18.623","0.005","90","","90","","90","","5798","3","173","2","173","2","","","","","","","","8","C 2 2 21","C 2c 2","20","09184","","","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C33 H72 Cl6 Cu3 F18 N6 P3 S2 -","- C132 H288 Cl24 Cu12 F72 N24 P12 S8 -","4","0.5","","Ritimukta Sarangi; Lei Yang; Stuart G. Winikoff; Laura Gagliardi; Christopher J. Cramer; William B. Tolman; Edward I. Solomon","X-ray Absorption Spectroscopic and Computational Investigation of a Possible S...S Interaction in the [Cu3S2]3+ Core","Journal of the American Chemical Society","2011","133","","17180","17191","10.1021/ja111323m","","","0.71073","MoKα","","0.0841","0.0494","","","0.1193","0.1403","","","","","","1.1","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107681","10.3608","0.0019","25.392","0.005","22.38","0.004","90","","90","","90","","5887.8","1.9","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C68 H66 N8 O12 -","- C68 H66 N8 O12 -","- C272 H264 N32 O48 -","4","0.5","","Shifa Zhu; Joshua V. Ruppel; Hongjian Lu; Lukasz Wojtas; X. Peter Zhang","Cobalt-Catalyzed Asymmetric Cyclopropanation with Diazosulfones: Rigidification and Polarization of Ligand Chiral Environment via Hydrogen Bonding and Cyclization","Journal of the American Chemical Society","2008","130","","5042","5043","10.1021/ja7106838","","","0.71073","MoKα","","0.05","0.0418","","","0.093","0.0964","","","","","","1.096","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4108308","15.6507","0.0007","22.6708","0.0007","19.8315","0.001","90","","90","","90","","7036.5","0.5","150","1","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23.33333 H27.33333 Cl2 N2 O1.33333 -","- C23.3333 H27.3333 Cl2 N2 O1.33333 -","- C280 H328 Cl24 N24 O16 -","12","1.5","","Hyunwoo Kim; Yen Nguyen; Cindy Pai-Hui Yen; Leonid Chagal; Alan J. Lough; B. Moon Kim; Jik Chin","Stereospecific Synthesis of C2 Symmetric Diamines from the Mother Diamine by Resonance-Assisted Hydrogen-Bond Directed Diaza-Cope Rearrangement","Journal of the American Chemical Society","2008","130","","12184","12191","10.1021/ja803951u","","","0.71073","MoKα","","0.1101","0.0652","","","0.1608","0.1787","","","","","","0.995","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4108353","8.9975","0.0015","12.9799","0.0019","9.8043","0.0016","90","","90","","90","","1145","0.3","143","1","143","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H16 Cu I N2 -","- C8 H16 Cu I N2 -","- C32 H64 Cu4 I4 N8 -","4","0.5","","J. Brian Hewgley; Shannon S. Stahl; Marisa C. Kozlowski","Mechanistic Study of Asymmetric Oxidative Biaryl Coupling: Evidence for Self-Processing of the Copper Catalyst to Achieve Control of Oxidase vs Oxygenase Activity","Journal of the American Chemical Society","2008","130","","12232","12233","10.1021/ja804570b","","","0.71073","MoKα","","0.0331","0.0296","","","0.0765","0.0786","","","","","","1.098","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108583","17.1419","0.0004","27.4558","0.0008","19.2037","0.0005","90","","90","","90","","9038.1","0.4","120","2","120","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C81 H138 N6 P6 Rh3 -","- C81 H138 N6 P6 Rh3 -","- C324 H552 N24 P24 Rh12 -","4","0.5","","Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein","Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent","Journal of the American Chemical Society","2008","130","","14374","14375","10.1021/ja8046798","","","0.71073","MoKα","","0.0618","0.057","","","0.137","0.1391","","","","","","1.174","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109264","19.7622","0.0019","20.478","0.002","16.3811","0.0016","90","","90","","90","","6629.3","1.1","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","Boc-Gpn-Gpn-Leu-OMe","","","- C30 H53 N3 O6.5 -","- C30 H53 N3 O6.5 -","- C240 H424 N24 O52 -","8","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.1088","0.0804","","","0.1858","0.2021","","","","","","1.179","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4110069","14.438","0.001","6.9788","0.0005","11.4743","0.0008","90","","90","","90","","1156.15","0.14","10","2","10","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H4 N2 O10 V4 Zn -","- C4 H4 N2 O10 V4 Zn -","- C16 H16 N8 O40 V16 Zn4 -","4","0.5","","Bangbo Yan; Marilyn M. Olmstead; Paul A. Maggard","Effect of Spin-Ladder Topology on 2D Charge Ordering: Toward New Spin-Antiferroelectric Transitions","Journal of the American Chemical Society","2007","129","","12646","12647","10.1021/ja0754709","","","0.71073","MoKα","","0.0378","0.0354","","","0.0944","0.0955","","","","","","1.107","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4111189","5.858","0.0012","23.938","0.005","7.8425","0.0016","90","","90","","90","","1099.7","0.4","203","2","203","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","4-trifluoromethyl-2,3,5,6-tetrafluoro-biphenyl","","- C6.5 H2.5 F3.5 -","- C6.5 H2.5 F3.5 -","- C52 H20 F28 -","8","1","","Thomas Schaub; Marc Backes; Udo Radius","Catalytic C-C Bond Formation Accomplished by Selective C-F Activation of Perfluorinated Arenes","Journal of the American Chemical Society","2006","128","","15964","15965","10.1021/ja064068b","","","0.71073","MoKα","","0.0463","0.0316","","","0.0677","0.0739","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111621","14.1487","0.001","27.8078","0.0019","23.1818","0.0016","90","","90","","90","","9120.7","1.1","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C86.2 H64.4 Cl10.4 P6 Pt3 -","- C86.2 H64.4 Cl10.4 P6 Pt3 -","- C344.8 H257.6 Cl41.6 P24 Pt12 -","4","0.5","","Maria Paz Martin-Redondo; Ludmila Scoles; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","Metal-Templated Diyne Cyclodimerization and Cyclotrimerization","Journal of the American Chemical Society","2005","127","","5038","5039","10.1021/ja050155c","","","0.71073","MoKα","","0.0953","0.0564","","","0.1233","0.1397","","","","","","0.981","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113082","17.7568","0.0006","19.4998","0.0007","22.7932","0.0008","90","","90","","90","","7892.2","0.5","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C78 H92 Cl10 N O13 Sb -","- C76 H88 Cl6 N O13 Sb -","- C304 H352 Cl24 N4 O52 Sb4 -","4","0.5","","Rajendra Rathore; Sameh H. Abdelwahed; Ilia A. Guzei","Synthesis of a Calix[4]arene Derivative for Isolation of a Stable Cation Radical Salt for Use as a Colorimetric Sensor of Nitric Oxide","Journal of the American Chemical Society","2004","126","","13582","13583","10.1021/ja0454900","","","0.71073","MoKα","","0.033","0.0313","","","0.0732","0.0738","","","","","","1.051","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113256","12.531","0.003","16.867","0.005","25.965","0.007","90","","90","","90","","5488","3","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C26 H39 N O8 -","- C26 H39 N O8 -","- C208 H312 N8 O64 -","8","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0751","0.0525","","","0.1308","0.1439","","","","","","1.026","","","","has coordinates,has disorder","178903","2020-10-21","18:00:00",""
"4113257","10.73","0.005","10.766","0.005","52.83","0.02","90","","90","","90","","6103","5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C13 H20 Cl N O5 -","- C13 H20 Cl N O5 -","- C208 H320 Cl16 N16 O80 -","16","2","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0612","0.0523","","","0.1403","0.145","","","","","","1.075","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113431","20.795","0.0017","25.6061","0.0018","43.291","0.003","90","","90","","90","","23052","3","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C102.5 H135 N6 Ni1.5 O13.5 -","- C102.5 H122.5 N6 Ni1.5 O13.5 -","- C820 H980 N48 Ni12 O108 -","8","1","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.1943","0.0946","","","0.2254","0.2545","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113473","14.898","0.003","18.01","0.003","12.42","0.002","90","","90","","90","","3332.4","1","193","2","193","2","","","","","","","","7","C 2 2 21","C 2c 2","20","7d(SnCl4","","","- C23 H46 Cl4 N6 O3 P2 Sn -","- C23 H44 Cl4 N6 O3 P2 Sn -","- C92 H176 Cl16 N24 O12 P8 Sn4 -","4","0.5","","Scott E. Denmark; Jiping Fu","Understanding the Correlation of Structure and Selectivity in the Chiral-Phosphoramide-Catalyzed Enantioselective Allylation Reactions: Solution and Solid-State Structural Studies of Bisphosphoramide.SnCl4 Complexes","Journal of the American Chemical Society","2003","125","","2208","2216","10.1021/ja021280g","","","0.71073","MoKα","","0.0766","0.0398","","","0.0612","0.0679","","","","","","0.92","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113532","11.951","0.001","15.125","0.001","16.774","0.001","90","","90","","90","","3032","0.4","296.2","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H36 N5 O14 Y -","- C46 H58 N7 O27 Y -","- C184 H232 N28 O108 Y4 -","4","0.5","","Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi","Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes","Journal of the American Chemical Society","2003","125","","2989","2996","10.1021/ja028698z","","","0.7107","MoKα","","","0.0355","","","","0.0689","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113878","9.9086","0.0004","12.8372","0.0006","42.2856","0.0012","90","","90","","90","","5378.7","0.4","210","2","210","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","9-hydroxy-3-isopropenyl-8,14-dimethyl-2-(triethyl-silanyloxy)- 2,6,7,8,9,11,12,13,14,17-decahydro-3H,5H-4,16-dioxa-cyclopenta[a]phenanthren- 15-one","","- C26 H42 O5 Si -","- C24.5 H27 O5 Si -","- C196 H216 O40 Si8 -","8","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.101","0.093","","0.2657","0.2538","","","","1.07","1.087","1.087","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113974","22.412","0.005","24.106","0.005","16.388","0.003","90","","90","","90","","8854","3","183","2","183","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C44.5 H71 Br Fe O P2 Pd -","- C38 H57 Br Fe P2 Pd -","- C304 H456 Br8 Fe8 P16 Pd8 -","8","1","","Amy H. Roy; John F. Hartwig","Oxidative Addition of Aryl Tosylates to Palladium(0) and Coupling of Unactivated Aryl Tosylates at Room Temperature","Journal of the American Chemical Society","2003","125","","8704","8705","10.1021/ja035835z","","","0.71073","MoKα","","0.0546","0.041","","","0.1095","0.1184","","","","","","0.843","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4114462","20.185","0.006","30.163","0.008","25.969","0.01","90","","90","","90","","15811","9","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","Boc-Leu-Aib-Val-Aib-Leu-Aib-Val-D-Ala-D-Leu-Aib-OMe","t-Butyloxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-(alpha-aminoisobutyryl) -leucyl-(alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl) methyl ester monohydrate","","- C53 H98 N10 O14 -","- C53 H96 N10 O14 -","- C424 H768 N80 O112 -","8","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Abhishek Bandyopadhyay; Padmanabhan Balaram","Probing the Role of the C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal at the C-terminus of Designed Peptide Helices. Structural Characterization of Three Decapeptides","Journal of the American Chemical Society","2003","125","","15065","15075","10.1021/ja0372762","","","0.71073","MoKα","","0.2156","0.1064","","","0.1854","0.2346","","","","","","0.96","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4115386","7.4957","0.0012","9.8957","0.0015","18.149","0.003","90","","90","","90","","1346.2","0.4","123","2","123","2","","","","","","","","3","C 2 2 21","C 2c 2","20","1,2-dithiin annelated with BCO","","","- C16 H20 S2 -","- C16 H20 S2 -","- C64 H80 S8 -","4","0.5","","Atsushi Wakamiya; Tohru Nishinaga; Koichi Komatsu","1,2-Dithiin Annelated with Bicyclo[2.2.2]octene Frameworks. One-Electron and Two-Electron Oxidations and Formation of a Novel 2,3,5,6-Tetrathiabicyclo[2.2.2]oct-7-ene Radical Cation with Remarkable Stability Owing to a Strong Transannular Interaction","Journal of the American Chemical Society","2002","124","","15038","15050","10.1021/ja028297j","","","0.71073","MoKα","","0.0524","0.0518","","","0.1417","0.1422","","","","","","1.223","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115411","10.8188","0.0007","21.434","0.001","16.306","0.001","90","","90","","90","","3781.2","0.4","296.2","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H42 Fe N4 O8 -","- C38 H42 Fe N4 O8 -","- C152 H168 Fe4 N16 O32 -","4","0.5","","Toshiyuki Moriuchi; Akihiro Nomoto; Kazuhiro Yoshida; Akiya Ogawa; Toshikazu Hirao","Chirality Organization of Ferrocenes Bearing Podand Dipeptide Chains: Synthesis and Structural Characterization","Journal of the American Chemical Society","2001","123","","68","75","10.1021/ja002869n","","","0.7107","MoKα","","","0.0555","","","","0.0586","","","","","","2.246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115443","4.3087","0.0005","22.093","0.004","4.3319","0.0004","90","","90","","90","","412.36","0.1","295","2","295","2","","","","","","","","3","C 2 2 21","C 2c 2","20","samarium gallium antimonide","samarium gallium antimonide","","- Ga Sb2 Sm -","- Ga Sb2 Sm -","- Ga4 Sb8 Sm4 -","4","0.5","","Allison M. Mills; Arthur Mar","Layered Rare-Earth Gallium Antimonides REGaSb2 (RE= La-Nd, Sm)","Journal of the American Chemical Society","2001","123","","1151","1158","10.1021/ja003705+","","","0.71073","MoKα","","0.0318","0.0293","","","0.0722","0.0737","","","","","","1.055","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4116230","9.532","0.006","24.712","0.008","38.47","0.01","90","","90","","90","","9062","7","296.2","","296.2","","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C43 H62 B Cl F4 O2 Ru2 S2 -","- C43 B0.5 Cl F2 O1.5 Ru2 S2 -","- C344 B4 Cl8 F16 O12 Ru16 S16 -","8","1","","Yoshiaki Nishibayashi; Issei Wakiji; Masanobu Hidai","Novel Propargylic Substitution Reactions Catalyzed by Thiolate-Bridged Diruthenium Complexes via Allenylidene Intermediates","Journal of the American Chemical Society","2000","122","","11019","11020","10.1021/ja0021161","","","0.7107","MoKα","","0.0694","0.0694","","","0.0865","0.0865","","","","","","2.428","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116512","13.6792","0.0006","14.7758","0.0007","20.9824","0.0012","90","","90","","90","","4241","0.4","220","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H74 N2 P6 Ru2 Si2 -","- C24 H74 N2 P6 Ru2 Si2 -","- C96 H296 N8 P24 Ru8 Si8 -","4","0.5","","Vladimir K. Dioumaev; Karl Plössl; Patrick J. Carroll; Donald H. Berry","Formation and Interconversion of Ruthenium-Silene and 16-Electron Ruthenium Silyl Complexes","Journal of the American Chemical Society","1999","121","","8391","8392","10.1021/ja984363z","","","0.7107","MoKα","","0.0512","0.048","","0.109","0.1069","","","","1.108","1.118","1.118","","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4118282","7.415","0.006","18.273","0.016","22.36","0.019","90","","90","","90","","3030","4","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C15 H16 F4 N2 O3 -","- C15 H16 F4 N2 O3 -","- C120 H128 F32 N16 O24 -","8","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.6889","Synchrotron","","0.0846","0.0682","","0.1705","0.1575","0.1705","","","","","","0.9169","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4119417","22.1316","0.0004","30.883","0.0006","45.3137","0.0009","90","","90","","90","","30971.5","1","153","","153","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C234 H449 N O72 Si14 -","- C234 H445 N O72 Si14 -","- C936 H1780 N4 O288 Si56 -","4","0.5","","Toshiyuki Kida; Takuya Iwamoto; Haruyasu Asahara; Tomoaki Hinoue; Mitsuru Akashi","Chiral Recognition and Kinetic Resolution of Aromatic Amines via Supramolecular Chiral Nanocapsules in Nonpolar Solvents","Journal of the American Chemical Society","2013","135","","3371","3374","10.1021/ja312367k","","","1.54187","CuKα","","","0.0991","","","","0.3106","","","","","","1.066","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119798","26.153","0.002","29.754","0.002","28.621","0.002","90","","90","","90","","22272","3","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C194 H144 Co16 N68 O47 -","- C194 H144 Co16 N68 O47 -","- C776 H576 Co64 N272 O188 -","4","0.5","","Yue-Qiao Hu; Ming-Hua Zeng; Kun Zhang; Sheng Hu; Fu-Fang Zhou; Mohamedally Kurmoo","Tracking the Formation of a Polynuclear Co16 Complex and Its Elimination and Substitution Reactions by Mass Spectroscopy and Crystallography","Journal of the American Chemical Society","2013","135","","7901","7908","10.1021/ja3123784","","","0.71073","MoKα","","0.0726","0.059","","","0.1651","0.1793","","","","","","1.056","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4120231","15.563","0.003","21.504","0.004","17.424","0.004","90","","90","","90","","5831","2","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C67 H58 Cl2 O14 -","- C67 H58 Cl2 O14 -","- C268 H232 Cl8 O56 -","4","0.5","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54178","CuKα","","0.0391","0.0384","","","0.1108","0.1117","","","","","","1.055","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4121857","23.8149","0.0017","36.254","0.003","36.328","0.003","90","","90","","90","","31365","4","143","1","143","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C77 H82 Eu N9 O6.5 -","- C77 H82 Eu N9 O6.5 -","- C1232 H1312 Eu16 N144 O104 -","16","2","","Robinson, Jerome R.; Fan, Xinyuan; Yadav, Jagjit; Carroll, Patrick J.; Wooten, Alfred J.; Pericàs, Miquel A; Schelter, Eric J.; Walsh, Patrick J.","Air- and Water-Tolerant Rare Earth Guanidinium BINOLate Complexes as Practical Precatalysts in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2014","136","22","8034","","10.1021/ja502568g","","","0.71073","MoKα","","0.0636","0.0527","","","0.1396","0.1451","","","","","","1.031","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4122181","15.4459","0.0012","15.9426","0.0013","18.6329","0.0015","90","","90","","90","","4588.3","0.6","220","2","220","2","","","","","","","","5","C 2 2 21","C 2c 2","20","cmpd9c","cmpd9c","","- C44 H76 N8 O Ta2 -","- C44 H76 N8 O Ta2 -","- C176 H304 N32 O4 Ta8 -","4","0.5","","Keane, Andrew J.; Yonke, Brendan L.; Hirotsu, Masakazu; Zavalij, Peter Y.; Sita, Lawrence R.","Fine-tuning the energy barrier for metal-mediated dinitrogen n≡n bond cleavage.","Journal of the American Chemical Society","2014","136","28","9906","9909","10.1021/ja505309j","","","0.71073","MoKα","","0.0175","0.0171","","","0.0411","0.0413","","","","","","1.002","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122760","13.6536","0.0004","17.8161","0.0005","37.5266","0.001","90","","90","","90","","9128.5","0.4","193","2","193","2","","","","","","","synthesis as described","11","C 2 2 21","C 2c 2","20","","","","- C51 H102 Au2 B20 Cl2 F12 I2 N12 O8 P4 S4 -","- C51 H102 Au2 B20 Cl2 F12 I2 N12 O8 P4 S4 -","- C204 H408 Au8 B80 Cl8 F48 I8 N48 O32 P16 S16 -","4","0.5","","Joost, Maximilian; Zeineddine, Abdallah; Estévez, Laura; Mallet Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Facile oxidative addition of aryl iodides to gold(i) by ligand design: bending turns on reactivity.","Journal of the American Chemical Society","2014","136","42","14654","14657","10.1021/ja506978c","","x-ray","0.71073","MoKα","","0.0446","0.0331","","","0.0665","0.0783","","","","","","1.082","","","","has coordinates,has disorder","179029","2020-10-21","18:00:00",""
"4123219","18.425","0.005","27.789","0.007","26.139","0.007","90","","90","","90","","13383","6","103","2","103","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C154 H158 Cl3 N10 Ni2 -","- C154 H158 Cl3 N10 Ni2 -","- C616 H632 Cl12 N40 Ni8 -","4","0.5","","Ito, Satoru; Hiroto, Satoru; Lee, Sangsu; Son, Minjung; Hisaki, Ichiro; Yoshida, Takuya; Kim, Dongho; Kobayashi, Nagao; Shinokubo, Hiroshi","Synthesis of Highly Twisted and Fully π-Conjugated Porphyrinic Oligomers.","Journal of the American Chemical Society","2015","137","1","142","145","10.1021/ja511905f","","","0.71075","MoKα","","0.0645","0.0572","","","0.1465","0.1566","","","","","","1.07","","","","has coordinates,has disorder","179034","2020-10-21","18:00:00",""
"4124171","10.4706","0.0011","14.4379","0.0015","7.9454","0.0009","90","","90","","90","","1201.1","0.2","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- B3 Ba3 Cl O9 Pb2 -","- B3 Ba3 Cl O9 Pb2 -","- B12 Ba12 Cl4 O36 Pb8 -","4","0.5","","Dong, Xiaoyu; Jing, Qun; Shi, Yunjing; Yang, Zhihua; Pan, Shilie; Poeppelmeier, Kenneth R.; Young, Joshua; Rondinelli, James M.","Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups.","Journal of the American Chemical Society","2015","137","29","9417","9422","10.1021/jacs.5b05406","","","0.71073","MoKα","","0.0205","0.0198","","","0.0506","0.0509","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124891","11.9982","0.001","15.44","0.0013","15.5724","0.0014","90","","90","","90","","2884.8","0.4","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H23 F20 N O2 S -","- C24 H23 F20 N O2 S -","- C96 H92 F80 N4 O8 S4 -","4","0.5","","Imada, Yasuyuki; Nakano, Hideyuki; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi; Maruyama, Hitoshi; Nakamoto, Masaaki; Sekiguchi, Akira; Ogawa, Masahiro; Ohta, Toshiaki; Yamamoto, Yohsuke","Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries.","Journal of the American Chemical Society","2016","138","2","479","482","10.1021/jacs.5b10774","","","0.71075","MoKα","","0.0307","0.0291","","","0.0738","0.0751","","","","","","1.06","","","","has coordinates","175687","2020-10-21","18:00:00",""
"4125546","17.0811","0.0005","33.4347","0.001","21.6852","0.0006","90","","90","","90","","12384.4","0.6","100","","99.99","","","","","","","","","4","C 2 2 21","C 2c 2","20","","NDI Cage Nitrobenzene","","- C120 H102 N16 O20 -","- C120 H102 N16 O20 -","- C480 H408 N64 O80 -","4","0.5","","Šolomek, Tomáš; Powers-Riggs, Natalia E; Wu, Yi-Lin; Young, Ryan M.; Krzyaniak, Matthew D.; Horwitz, Noah E.; Wasielewski, Michael R.","Electron Hopping and Charge Separation within a Naphthalene-1,4:5,8-bis(dicarboximide) Chiral Covalent Organic Cage.","Journal of the American Chemical Society","2017","139","9","3348","3351","10.1021/jacs.7b00233","","","1.54178","CuKα","","0.0593","0.0575","","","0.169","0.1727","","","","","","1.092","","","","has coordinates","194840","2020-10-21","18:00:00",""
"4126042","19.623","0.008","19.612","0.008","36.77","0.015","90","","90","","90","","14151","10","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C56 H103 N19 O23 S4 -","- C59.7333 H109.867 N20.2667 O24.5333 S4.26667 -","- C358.4 H659.2 N121.6 O147.2 S25.6 -","6","0.75","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","0.41425","synchrotron","","0.1346","0.1081","","","0.2749","0.303","","","","","","1.051","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126674","20.23","0.002","30.537","0.003","28.675","0.003","90","","90","","90","","17714","3","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Gd15","","","- C50 H130 Cl Gd15 O70 -","- C50 H130 Cl Gd15 O70 -","- C200 H520 Cl4 Gd60 O280 -","4","0.5","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.0647","0.0554","","","0.1481","0.1563","","","","","","1.09","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4127464","10.2386","0.0001","23.8719","0.0002","11.734","0.0001","90","","90","","90","","2867.96","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C30 H36 Co F6 N2 O2 -","- C30 H36 Co F6 N2 O2 -","- C120 H144 Co4 F24 N8 O8 -","4","0.5","","Ye, Ke-Yin; McCallum, Terry; Lin, Song","Bimetallic Radical Redox-Relay Catalysis for the Isomerization of Epoxides to Allylic Alcohols.","Journal of the American Chemical Society","2019","141","24","9548","9554","10.1021/jacs.9b04993","","x-ray","0.71073","MoKα","","0.0198","0.0194","","","0.0511","0.0512","","","","","","1.047","","","","has coordinates","220737","2020-10-21","18:00:00",""
"4127490","7.6808","0.0006","17.7492","0.0014","6.4998","0.0005","90","","90","","90","","886.11","0.12","363","2","363","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C16 H36 Cl12 F4 Mn4 N4 -","4","0.5","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0548","0.0511","","","0.1523","0.1572","","","","","","1.054","","","","has coordinates","220759","2020-10-21","18:00:00",""
"4127491","7.6727","0.0005","17.7337","0.0011","6.5009","0.0003","90","","90","","90","","884.55","0.09","363","2","363","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Cl3 F Mn N -","- C4 H9 Cl3 F Mn N -","- C16 H36 Cl12 F4 Mn4 N4 -","4","0.5","","Ai, Yong; Chen, Xiao-Gang; Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Xiong, Ren-Gen","Fluorine Substitution Induced High T<sub>c</sub> of Enantiomeric Perovskite Ferroelectrics: ( R) - and ( S) -3-(Fluoropyrrolidinium)MnCl<sub>3</sub>.","Journal of the American Chemical Society","2019","141","10","4474","4479","10.1021/jacs.9b00886","","","0.71073","MoKα","","0.0563","0.0453","","","0.133","0.1418","","","","","","1.102","","","","has coordinates","220760","2020-10-21","18:00:00",""
"4128613","10.7997","0.0004","18.2694","0.0006","16.827","0.0006","90","","90","","90","","3320","0.2","285","2","285.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C10 H28 Cl14 N4 Pb5 -","- C10 H28 Cl14 N4 Pb5 -","- C40 H112 Cl56 N16 Pb20 -","4","0.5","","Peng, Yu; Li, Lina; Ji, Chengmin; Wu, Zhenyue; Wang, Sasa; Liu, Xitao; Yao, Yunpeng; Luo, Junhua","Tailored Synthesis of an Unprecedented Pb-Mn Heterometallic Halide Hybrid with Enhanced Emission.","Journal of the American Chemical Society","2019","141","31","12197","12201","10.1021/jacs.9b04829","","","0.71073","MoKα","","0.0623","0.0451","","","0.0961","0.1039","","","","","","1.092","","","","has coordinates","221694","2020-10-21","18:00:00",""
"4128662","7.755","0.002","26.43","0.006","22.349","0.005","90","","90","","90","","4580.8","1.9","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C51 H35 B3 F20 -","- C51 H35 B3 F20 -","- C204 H140 B12 F80 -","4","0.5","","Bamford, Karlee L.; Qu, Zheng-Wang; Stephan, Douglas W.","Activation of H<sub>2</sub> and Et<sub>3</sub>SiH by the Borinium Cation [Mes<sub>2</sub>B]<sup>+</sup>: Avenues to Cations [MesB(μ-H)<sub>2</sub>(μ-Mes)BMes]<sup>+</sup> and [H<sub>2</sub>B(μ-H)(μ-Mes)B(μ-Mes)(μ-H)BH<sub>2</sub>]<sup/>.","Journal of the American Chemical Society","2019","141","15","6180","6184","10.1021/jacs.9b02510","","","0.71073","MoKα","","0.0878","0.0415","","","0.0671","0.0791","","","","","","1.017","","","","has coordinates","221743","2020-10-21","18:00:00",""
"4128875","12.1921","0.0003","15.8104","0.0004","17.6415","0.0004","90","","90","","90","","3400.61","0.14","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H28 N O2.5 -","- C20 H28 N O2.5 -","- C160 H224 N8 O20 -","8","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.54178","CuKα","","0.0449","0.0398","","","0.0979","0.1024","","","","","","1.064","","","","has coordinates","221910","2020-10-21","18:00:00",""
"4128886","9.9111","0.0002","19.1719","0.0004","24.772","0.0005","90","","90","","90","","4707.04","0.17","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27 H32 F N S -","- C27 H32 F N S -","- C216 H256 F8 N8 S8 -","8","1","","Roth, Aaron; Denmark, Scott E.","Enantioselective, Lewis Base-Catalyzed, Intermolecular Sulfenoamination of Alkenes.","Journal of the American Chemical Society","2019","141","35","13767","13771","10.1021/jacs.9b07019","","","1.54178","CuKα","","0.0232","0.0232","","","0.062","0.0621","","","","","","1.075","","","","has coordinates,has disorder","221921","2020-10-21","18:00:00",""
"4129273","17.7467","0.0005","10.0959","0.0002","43.4589","0.0005","90","","90","","90","","7786.5","0.3","123","","123","","","","","","","","see text","6","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cu2 I2 N2 P2 -","- C36 H32 Cu2 I2 N2 P2 -","- C288 H256 Cu16 I16 N16 P16 -","8","1","","Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut","Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence.","Journal of the American Chemical Society","2015","137","1","399","404","10.1021/ja5109672","","x-ray","1.54184","CuKα","","0.0597","0.056","","","0.1396","0.1407","","","","","","1.054","","","","has coordinates","240028","2020-10-21","18:00:00",""
"4130352","8.7136","0.0006","17.3862","0.0013","17.083","0.0012","90","","90","","90","","2588","0.3","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Br Dy N4 O2 -","- C28 H28 Br Dy N4 O2 -","- C112 H112 Br4 Dy4 N16 O8 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","0.71073","MoKα","","0.0289","0.0253","","","0.0617","0.0675","","","","","","1.099","","","","has coordinates","240815","2020-10-21","18:00:00",""
"4130353","8.7031","0.0005","17.1806","0.0009","16.9926","0.0012","90","","90","","90","","2540.8","0.3","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Cl Dy N4 O2 -","- C28 H28 Cl Dy N4 O2 -","- C112 H112 Cl4 Dy4 N16 O8 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","0.71073","MoKα","","0.0478","0.0383","","","0.0653","0.0686","","","","","","1.042","","","","has coordinates","240816","2020-10-21","18:00:00",""
"4130354","8.6882","0.0004","17.3517","0.0009","17.0584","0.0008","90","","90","","90","","2571.6","0.2","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Br N4 O2 Y -","- C28 H28 Br N4 O2 Y -","- C112 H112 Br4 N16 O8 Y4 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","1.54178","CuKα","","0.034","0.0317","","","0.0775","0.0802","","","","","","1.027","","","","has coordinates","240817","2020-10-21","18:00:00",""
"4130355","8.6871","0.0004","17.1521","0.0006","17.0046","0.0006","90","","90","","90","","2533.72","0.17","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H28 Cl N4 O2 Y -","- C28 H28 Cl N4 O2 Y -","- C112 H112 Cl4 N16 O8 Y4 -","4","0.5","","Liu, Jiang; Chen, Yan-Cong; Liu, Jun-Liang; Vieru, Veacheslav; Ungur, Liviu; Jia, Jian-Hua; Chibotaru, Liviu F.; Lan, Yanhua; Wernsdorfer, Wolfgang; Gao, Song; Chen, Xiao-Ming; Tong, Ming-Liang","A Stable Pentagonal Bipyramidal Dy(III) Single-Ion Magnet with a Record Magnetization Reversal Barrier over 1000 K.","Journal of the American Chemical Society","2016","138","16","5441","5450","10.1021/jacs.6b02638","","","1.54178","CuKα","","0.0319","0.0305","","","0.0754","0.0765","","","","","","1.07","","","","has coordinates","240818","2020-10-21","18:00:00",""
"4131565","9.2436","0.0004","10.9618","0.0004","34.6834","0.0015","90","","90","","90","","3514.3","0.3","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","PF156","sarpong138","","- C20 H26 O3 -","- C20 H26 O3 -","- C160 H208 O24 -","8","1","","Finkbeiner, Peter; Murai, Kenichi; Röpke, Michael; Sarpong, Richmond","Total Synthesis of Terpenoids Employing a ""Benzannulation of Carvone"" Strategy: Synthesis of (-)-Crotogoudin.","Journal of the American Chemical Society","2017","139","33","11349","11352","10.1021/jacs.7b06823","","","1.54178","CuKα","","0.0704","0.0664","","","0.1451","0.1468","","","","","","1.127","","","","has coordinates,has disorder","241744","2020-10-21","18:00:00",""
"4132061","17.77519","0.00018","19.4896","0.0002","16.16113","0.00019","90","","90","","90","","5598.72","0.1","100","0.1","100","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C59 H52 Au Cl N2 -","- C59 H52 Au Cl N2 -","- C236 H208 Au4 Cl4 N8 -","4","0.5","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0236","0.023","","","0.0595","0.0599","","","","","","1.033","","","","has coordinates","242103","2020-10-21","18:00:00",""
"4132370","6.51","0.0003","8.6267","0.0003","17.3423","0.0007","90","","90","","90","","973.94","0.07","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H8 N2 S2 -","- C10 H8 N2 S2 -","- C40 H32 N8 S8 -","4","0.5","","Liu, Guofeng; Sheng, Jianhui; Wu, Hongwei; Yang, Chaolong; Yang, Guangbao; Li, Yongxin; Ganguly, Rakesh; Zhu, Liangliang; Zhao, Yanli","Controlling Supramolecular Chirality of Two-Component Hydrogels by J- and H-Aggregation of Building Blocks.","Journal of the American Chemical Society","2018","140","20","6467","6473","10.1021/jacs.8b03309","","","0.71073","MoKα","","0.0498","0.0377","","","0.0692","0.0754","","","","","","1.048","","","","has coordinates","242353","2020-10-21","18:00:00",""
"4133886","6.5974","0.0002","15.3006","0.0005","16.726","0.0006","90","","90","","90","","1688.39","0.1","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H22 Co F6 P -","- C16 H22 Co F6 P -","- C64 H88 Co4 F24 P4 -","4","0.5","","Zhu, Tianyu; Sha, Ye; Adabi Firouzjaie, Horie; Peng, Xiong; Cha, Yujin; Dissanayake, D. M. M. Mevan; Smith, Mark D.; Vannucci, Aaron K.; Mustain, William Earl; Tang, Chuanbing","Rational Synthesis of Metallo-Cations Toward Redox- and Alkaline-Stable Metallo-Polyelectrolytes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12051","","x-ray","0.71073","MoKα","","0.0345","0.0332","","","0.0824","0.083","","","","","","1.204","","","","has coordinates","246339","2020-10-21","18:00:00",""
"4134271","7.8873","0.001","18.012","0.002","6.7513","0.0008","90","","90","","90","","959.1","0.2","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C16 H36 Br12 F4 Mn4 N4 -","4","0.5","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0432","0.039","","","0.1056","0.108","","","","","","1.089","","","","has coordinates","248538","2020-10-21","18:00:00",""
"4134272","7.9069","0.0005","18.0192","0.0012","6.7589","0.0004","90","","90","","90","","962.98","0.11","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H9 Br3 F Mn N -","- C4 H9 Br3 F Mn N -","- C16 H36 Br12 F4 Mn4 N4 -","4","0.5","","Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei","Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13291","","","0.71073","MoKα","","0.0588","0.0401","","","0.0987","0.1049","","","","","","1.001","","","","has coordinates","248539","2020-10-21","18:00:00",""
"4135222","30.139","0.0006","52.7563","0.0009","30.1676","0.0008","90","","90","","90","","47967.2","1.8","150.01","0.11","150.01","0.11","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C315 H543 Cr27 F24 N6 O109 S3 -","- C315 H543 Cr27 F24 N6 O109 S3 -","- C1260 H2172 Cr108 F96 N24 O436 S12 -","4","0.5","","Lockyer, Selena J.; Nawaz, Selina; Brookfield, Adam; Fielding, Alistair J.; Vitorica-Yrezabal, Inigo J; Timco, Grigore A.; Burton, Neil A.; Bowen, Alice M.; Winpenny, Richard E. P.; McInnes, Eric J. L.","Conformational flexibility of hybrid [3]- and [4]-rotaxanes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06547","","x-ray","0.71073","MoKα","","0.1879","0.1471","","","0.3688","0.4074","","","","","","1.365","","","","has coordinates,has disorder","255840","2020-10-21","18:00:00",""
"4301199","13.8857","0.0004","17.2819","0.0005","43.4423","0.0009","90","","90","","90","","10424.9","0.5","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C52 H55 B2 F8 Fe N5 P2 -","- C52 H55 B2 F8 Fe N5 P2 -","- C416 H440 B16 F64 Fe8 N40 P16 -","8","1","","Christine Sui-Seng; F. Nipa Haque; Alen Hadzovic; Anna-Maria Pütz; Valerie Reuss; Nils Meyer; Alan J. Lough; Marco Zimmer-De Iuliis; Robert H. Morris","Synthesis and Characterization of Iron(II) Complexes with Tetradentate Diiminodiphosphine or Diaminodiphosphine Ligands as Precatalysts for the Hydrogenation of Acetophenone","Inorganic Chemistry","2009","48","","735","743","10.1021/ic801518h","","","0.71073","MoKα","","0.1419","0.0656","","","0.1255","0.1497","","","","","","0.944","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301955","9.34","0.003","10.308","0.003","13.777","0.005","90","","90","","90","","1326.4","0.7","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- Al B5 H8 K2 O14 -","- Al B5 K2 O14 -","- Al4 B20 K8 O56 -","4","0.5","","Cheng Rong; Zhiwu Yu; Qiang Wang; Shou-Tian Zheng; Chun-Yang Pan; Feng Deng; Guo-Yu Yang","Aluminoborates with Open Frameworks: Syntheses, Structures, and Properties","Inorganic Chemistry","2009","48","","3650","3659","10.1021/ic802124v","","","0.71073","MoKα","","0.0259","0.0249","","","0.0732","0.0736","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4301956","9.335","0.004","10.487","0.005","14.165","0.007","90","","90","","90","","1386.7","1.1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- Al B5 H16 N2 O14 -","- Al B5 H16 N2 O14 -","- Al4 B20 H64 N8 O56 -","4","0.5","","Cheng Rong; Zhiwu Yu; Qiang Wang; Shou-Tian Zheng; Chun-Yang Pan; Feng Deng; Guo-Yu Yang","Aluminoborates with Open Frameworks: Syntheses, Structures, and Properties","Inorganic Chemistry","2009","48","","3650","3659","10.1021/ic802124v","","","0.71073","MoKα","","0.0315","0.0308","","","0.0938","0.0943","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302165","7.4919","0.0008","31.083","0.003","22.483","0.002","90","","90","","90","","5235.6","0.9","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C51 H24 F18 La2 O12 -","- C51 H24 F18 La2 O12 -","- C204 H96 F72 La8 O48 -","4","0.5","","Felipe Gándara; Víctor A. de la Peña-O'Shea; Francesc Illas; Natalia Snejko; David M. Proserpio; Enrique Gutiérrez-Puebla; M. Angeles Monge","Three Lanthanum MOF Polymorphs: Insights into Kinetically and Thermodynamically Controlled Phases","Inorganic Chemistry","2009","48","","4707","4713","10.1021/ic801779j","","","0.71073","MoKα","","0.0974","0.0898","","","0.2016","0.2112","","","","","","1.26","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302201","17.56","0.01","14.205","0.008","20.82","0.01","90","","90","","90","","5193","5","298","","298","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C40 H60 Cu4 N6 O21 -","- C40 H53 Cu4 N6 O21 -","- C160 H212 Cu16 N24 O84 -","4","0.5","","Theocharis C. Stamatatos; Gina C. Vlahopoulou; Catherine P. Raptopoulou; Aris Terzis; Albert Escuer; Spyros P. Perlepes","Interpretation of the Magnetic Properties of a Compound Consisting of Cocrystallized CuII3 and CuII4 Clusters through the Targeted Synthesis and Study of Its Discrete CuII4 Component","Inorganic Chemistry","2009","48","","4610","4612","10.1021/ic900188k","","","0.71073","MoKα","","0.0269","0.025","","","0.0637","0.0648","","","","","","1.053","","","","has coordinates","179060","2020-10-21","18:00:00",""
"4302766","7.5583","0.0012","11.1289","0.0018","25.784","0.004","90","","90","","90","","2168.8","0.6","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C13 H10 Fe O4 -","- C13 H10 Fe O4 -","- C104 H80 Fe8 O32 -","8","1","","Sayon A. Kumalah; K. Travis Holman","Polymorphism and Inclusion Properties of Three-Dimensional Metal-Organometallic Frameworks Derived from a Terephthalate Sandwich Compound","Inorganic Chemistry","2009","48","","6860","6872","10.1021/ic900816h","","","0.71073","MoKα","","0.0496","0.0379","","","0.0868","0.0907","","","","","","1.055","","","","has coordinates,has disorder","179065","2020-10-21","18:00:00",""
"4302967","12.024","0.003","15.032","0.004","12.948","0.003","90","","90","","90","","2340.3","1","113","2","113","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H12 Co Li2 O10 -","- C16 H12 Co Li2 O10 -","- C64 H48 Co4 Li8 O40 -","4","0.5","","Jie-Peng Zhang; Sujit K. Ghosh; Jian-Bin Lin; Susumu Kitagawa","New Heterometallic Carboxylate Frameworks: Synthesis, Structure, Robustness, Flexibility, and Porosity","Inorganic Chemistry","2009","48","","7970","7976","10.1021/ic900919w","","","0.71073","MoKα","","0.0473","0.0455","","","0.1154","0.1165","","","","","","1.067","","","","has coordinates,has disorder","179067","2020-10-21","18:00:00",""
"4303269","17.6885","0.0007","20.9207","0.0008","26.7585","0.001","90","","90","","90","","9902.1","0.7","296","2","296","2","","","","","","","Synthesized","7","C 2 2 21","C 2c 2","20","","","","- C82 H108 Cl K N8 Ni3 O27 -","- C82 H108 Cl K N8 Ni3 O27 -","- C328 H432 Cl4 K4 N32 Ni12 O108 -","4","0.5","","Mrigendra Dubey; Rik Rani Koner; Manabendra Ray","Sodium and Potassium Ion Directed Self-Assembled Multinuclear Assembly of Divalent Nickel or Copper and l-Leucine Derived Ligand","Inorganic Chemistry","2009","48","","9294","9302","10.1021/ic9011444","","","0.71073","MoKα","","0.0653","0.0466","","","0.1287","0.1397","","","","","","1.011","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303270","17.7564","0.0008","20.9237","0.001","26.682","0.0013","90","","90","","90","","9913.2","0.8","296","2","296","2","","","","","","","Synthesized","7","C 2 2 21","C 2c 2","20","","","","- C84 H116 Cl N8 Na Ni3 O27 -","- C84 H116 Cl N8 Na Ni3 O27 -","- C336 H464 Cl4 N32 Na4 Ni12 O108 -","4","0.5","","Mrigendra Dubey; Rik Rani Koner; Manabendra Ray","Sodium and Potassium Ion Directed Self-Assembled Multinuclear Assembly of Divalent Nickel or Copper and l-Leucine Derived Ligand","Inorganic Chemistry","2009","48","","9294","9302","10.1021/ic9011444","","","0.71073","MoKα","","0.051","0.0404","","","0.1102","0.1152","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303271","17.5336","0.0006","21.0148","0.0006","27.5553","0.0009","90","","90","","90","","10153.2","0.6","296","2","296","2","","","","","","","Synthesized","8","C 2 2 21","C 2c 2","20","","","","- C87 H108 F3 N10 Na Ni3 O22 S -","- C87 H108 F3 N10 Na Ni3 O22 S -","- C348 H432 F12 N40 Na4 Ni12 O88 S4 -","4","0.5","","Mrigendra Dubey; Rik Rani Koner; Manabendra Ray","Sodium and Potassium Ion Directed Self-Assembled Multinuclear Assembly of Divalent Nickel or Copper and l-Leucine Derived Ligand","Inorganic Chemistry","2009","48","","9294","9302","10.1021/ic9011444","","","0.71073","MoKα","","0.0518","0.0383","","","0.0952","0.1035","","","","","","1.044","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303272","17.746","0.002","21.144","0.003","26.968","0.004","90","","90","","90","","10119","2","296","2","296","2","","","","","","","Synthesized","7","C 2 2 21","C 2c 2","20","","","","- C84 H102 Cl Cu3 K N8 O27 -","- C84 H102 Cl Cu3 K N8 O27 -","- C336 H408 Cl4 Cu12 K4 N32 O108 -","4","0.5","","Mrigendra Dubey; Rik Rani Koner; Manabendra Ray","Sodium and Potassium Ion Directed Self-Assembled Multinuclear Assembly of Divalent Nickel or Copper and l-Leucine Derived Ligand","Inorganic Chemistry","2009","48","","9294","9302","10.1021/ic9011444","","","0.71073","MoKα","","0.1308","0.0634","","","0.1327","0.1624","","","","","","0.979","","","","has coordinates,has disorder","179070","2020-10-21","18:00:00",""
"4303273","17.786","0.003","21.037","0.003","26.971","0.004","90","","90","","90","","10092","3","296","2","296","2","","","","","","","synthesized","7","C 2 2 21","C 2c 2","20","","","","- C83 H114 Cl Cu3 N8 Na O27 -","- C83 H114 Cl Cu3 N8 Na O27 -","- C332 H456 Cl4 Cu12 N32 Na4 O108 -","4","0.5","","Mrigendra Dubey; Rik Rani Koner; Manabendra Ray","Sodium and Potassium Ion Directed Self-Assembled Multinuclear Assembly of Divalent Nickel or Copper and l-Leucine Derived Ligand","Inorganic Chemistry","2009","48","","9294","9302","10.1021/ic9011444","","","0.71073","MoKα","","0.0874","0.0506","","","0.1173","0.1314","","","","","","1.02","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303274","17.8717","0.0016","21.262","0.002","26.901","0.003","90","","90","","90","","10222.1","1.7","293","2","293","","","","","","","","Synthesized","6","C 2 2 21","C 2c 2","20","","","","- C80 H108 Cu3 K N7 O31 -","- C80 H108 Cu3 K N7 O31 -","- C320 H432 Cu12 K4 N28 O124 -","4","0.5","","Mrigendra Dubey; Rik Rani Koner; Manabendra Ray","Sodium and Potassium Ion Directed Self-Assembled Multinuclear Assembly of Divalent Nickel or Copper and l-Leucine Derived Ligand","Inorganic Chemistry","2009","48","","9294","9302","10.1021/ic9011444","","","0.71073","MoKα","","0.0633","0.0546","","","0.1432","0.1485","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4303622","9.715","0.005","32.469","0.007","16","0.005","90","","90","","90","","5047","3","292","","292","","","","","","","","","5","C 2 2 21","C 2c 2","20","cortisone, Ca2+ complex","Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy- (7CI,9CI), Ca complex","","- C46 H76 Ca Cl2 O16 -","- C46 H72 Ca Cl2 O16 -","- C184 H288 Ca4 Cl8 O64 -","4","0.5","","Melanie R. Hauser; Kenneth M. Doxsee; Håkon Hope","Calcium Complexation by Corticosteroids","Inorganic Chemistry","2009","48","","10780","10788","10.1021/ic901670r","","","0.71069","MoKα","","0.097","0.064","","0.102","","0.049","","","1.68","","","1.79","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4304036","11.329","0.005","21.308","0.009","9.923","0.004","90","","90","","90","","2395.4","1.8","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C18 H40 Cu2 N6 -","- C18 H40 Cu2 N6 -","- C72 H160 Cu8 N24 -","4","0.5","","Jason P. Coyle; Wesley H. Monillas; Glenn P. A. Yap; Seán T. Barry","Synthesis and Thermal Chemistry of Copper (I) Guanidinates","Inorganic Chemistry","2008","47","","683","689","10.1021/ic701317y","","","0.71073","MoKα","","0.036","0.0331","","","0.0844","0.086","","","","","","1.027","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304100","12.358","0.0002","15.419","0.0002","29.757","0.0005","90","","90","","90","","5670.14","0.15","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","sa0508","","","- C66 H54 B4 Fe O8 -","- C66 H54 B4 Fe O8 -","- C264 H216 B16 Fe4 O32 -","4","0.5","","Joanna K. Day; Christopher Bresner; Natalie D. Coombs; Ian A. Fallis; Li-Ling Ooi; Simon Aldridge","Colorimetric Fluoride Ion Sensing by Polyborylated Ferrocenes: Structural Influences on Thermodynamics and Kinetics","Inorganic Chemistry","2008","47","","793","804","10.1021/ic701494p","","","0.71073","MoKα","","0.0899","0.0513","","","0.1029","0.1178","","","","","","1.019","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304427","22.475","0.009","6.782","0.002","28.418","0.011","90","","90","","90","","4332","3","298","","298","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C17 H20 Br Ca0.5 N3 O7 Re -","- C17 H18 Br Ca0.5 N3 O7 Re -","- C136 H144 Br8 Ca4 N24 O56 Re8 -","8","1","","Aris Chiotellis; Charalambos Tsoukalas; Maria Pelecanou; Catherine Raptopoulou; Aris Terzis; Minas Papadopoulos; Zetta Papadopoulou-Daifoti; Ioannis Pirmettis","Convenient Route Leading to Neutralfac-M(CO)3(NNO) Complexes (M = Re,99mTc) Coupled to Amine Pharmacophores","Inorganic Chemistry","2008","47","","2601","2607","10.1021/ic7019268","","","1.5418","CuKα","","0.0622","0.0541","","","0.1388","0.1473","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305248","6.227","0.0012","15.598","0.003","21.076","0.004","90","","90","","90","","2047.1","0.7","193","2","193","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H24 Ag Cl N4 O4 -","- C18 H24 Ag Cl N4 O4 -","- C72 H96 Ag4 Cl4 N16 O16 -","4","0.5","","Emerson D. Genuis; Joel A. Kelly; Malay Patel; Robert McDonald; Michael J. Ferguson; Grace Greidanus-Strom","Coordination Polymers from the Self-Assembly of Silver(I) Salts and Two Nonlinear Aliphatic Dinitrile Ligands, cis-1,3-Cyclopentanedicarbonitrile and cis-1,3-Bis(cyanomethyl)cyclopentane: Synthesis, Structures, and Photoluminescent Properties","Inorganic Chemistry","2008","47","","6184","6194","10.1021/ic800069f","","","0.71073","MoKα","","0.0432","0.0397","","","0.1104","0.1131","","","","","","1.061","","","","has coordinates,has disorder","179090","2020-10-21","18:00:00",""
"4305554","8.3956","0.0005","29.5409","0.0018","35.872","0.002","90","","90","","90","","8896.7","0.9","292","2","292","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C44 H50 N13 O4 -","- C44 H50 N13 O4 -","- C352 H400 N104 O32 -","8","1","","Xianggao Meng; Liang Liu; Chunshan Zhou; Li Wang; Changlin Liu","Dinuclear Copper(II) Complexes of a Polybenzimidazole Ligand: Their Structures and Inductive Roles in DNA Condensation","Inorganic Chemistry","2008","47","","6572","6574","10.1021/ic800532q","","","0.71073","Mokα","","0.099","0.0581","","","0.1302","0.1418","","","","","","0.891","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4306009","11.5278","0.0007","15.7492","0.001","18.782","0.0014","90","","90","","90","","3409.9","0.4","104","","","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C30 H38 Cl2 N4 Ni O12 -","- C30 H38 Cl2 N4 Ni O12 -","- C120 H152 Cl8 N16 Ni4 O48 -","4","0.5","","Atsushi Okazawa; Yasunori Nagaichi; Takashi Nogami; Takayuki Ishida","Magneto-Structure Relationship in Copper(II) and Nickel(II) Complexes Chelated with Stabletert-Butyl 5-Phenyl-2-pyridyl Nitroxide and Related Radicals","Inorganic Chemistry","2008","47","","8859","8868","10.1021/ic800937n","","","0.71069","MoKα","","","0.0483","","","","0.048","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306667","9.91","0.003","13.899","0.005","27.538","0.01","90","","90","","90","","3793","2","200","2","200","2","","","","","","","","9","C 2 2 21","C 2c 2","20","","","","- C14 H48 Cd Cl5 Co2 Cu N10 O15 S2 -","- C14 H42 Cd Cl5 Co2 Cu N10 O15 S2 -","- C56 H168 Cd4 Cl20 Co8 Cu4 N40 O60 S8 -","4","0.5","","Takashi Aridomi; Asako Igashira-Kamiyama; Takumi Konno","Control of 1D Wave versus 2D Honeycomb CoIIICdIICuI Heterotrimetallic Architectures by ΔL-ΛL Diastereoisomerism of l-Cysteinatocobalt(III) Building Units","Inorganic Chemistry","2008","47","","10202","10204","10.1021/ic801495h","","","0.71075","MoKα","","0.0421","0.0355","","","0.0711","0.0749","","","","","","0.987","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306947","12.7851","0.0017","15.0878","0.0019","27.705","0.004","90","","90","","90","","5344.3","1.2","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H20 Cl2 Mn2 N10 O2 -","- C24 H20 Cl2 Mn2 N10 O2 -","- C192 H160 Cl16 Mn16 N80 O16 -","8","1","","Lin Cheng; Wei-Xiong Zhang; Bao-Hui Ye; Jian-Bin Lin; Xiao-Ming Chen","In Situ Solvothermal Generation of 1,2,4-Triazolates and Related Compounds from Organonitrile and Hydrazine Hydrate: A Mechanism Study","Inorganic Chemistry","2007","46","","1135","1143","10.1021/ic061303i","","","0.71073","MoKα","","0.1138","0.0713","","","0.1152","0.1296","","","","","","0.969","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4307055","19.4167","0.0015","23.8824","0.0019","37.771","0.003","90","","90","","90","","17515","2","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C58 H126 Cl2 Cu N3 O56.5 -","- C58 H97 Cl2 Cu N3 O56.5 -","- C464 H776 Cl16 Cu8 N24 O452 -","8","1","","Ying-Hua Zhou; Heng Fu; Wei-Xi Zhao; Wei-Lin Chen; Cheng-Yong Su; Hongzhe Sun; Liang-Nian Ji; Zong-Wan Mao","Synthesis, Structure, and Activity of Supramolecular Mimics for the Active Site and Arg141 Residue of Copper, Zinc-Superoxide Dismutase","Inorganic Chemistry","2007","46","","734","739","10.1021/ic061541d","","","0.71073","MoKα","","0.0785","0.073","","","0.1931","0.1996","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4307544","11.7557","0.0007","25.424","0.0016","24.7493","0.0016","90","","90","","90","","7397","0.8","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C76 H70 Ge6 O10 Ru4 -","- C76 H70 Ge6 O10 Ru4 -","- C304 H280 Ge24 O40 Ru16 -","4","0.5","","Richard D. Adams; Erin M. Boswell; Burjor Captain; Mitul A. Patel","Multiple Additions of Phenylgermanium Ligands to Tetraruthenium and Tetraosmium Carbonyl Cluster Complexes","Inorganic Chemistry","2007","46","","533","540","10.1021/ic062039w","","","0.71073","MoKα","","0.0298","0.0258","","","0.0579","0.0597","","","","","","1.025","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4308084","10.3798","0.0007","9.3934","0.0007","13.8051","0.001","90","","90","","90","","1346.02","0.17","291","2","291","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","hydrated dipotassium gallium pentaborate","","- B5 Ga H8 K2 O14 -","- B5 Ga H8 K2 O14 -","- B20 Ga4 H32 K8 O56 -","4","0.5","","Zhi-Hong Liu; Ping Yang; Ping Li","K2[Ga(B5O10)].4H2O: The First Chiral Zeolite-like Galloborate with Large Odd 11-Ring Channels","Inorganic Chemistry","2007","46","","2965","2967","10.1021/ic070056v","","","0.71073","MoKα","","0.0211","0.021","","","0.0555","0.0556","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308227","13.026","0.002","14.733","0.002","21.529","0.004","90","","90","","90","","4131.7","1.1","296","2","296","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C14 H52 Cl6 Co2 N10 O20 Pt S2 -","- C14 H44 Cl6 Co2 N10 O20 Pt S2 -","- C56 H176 Cl24 Co8 N40 O80 Pt4 S8 -","4","0.5","","Zentaro Matsumoto; Takashi Aridomi; Asako Igashira-Kamiyama; Tatsuya Kawamoto; Takumi Konno","Proton-Induced Cis-Trans Conversion of a Platinum(II) Center Coordinated by l-Cysteinatocobalt(III) Metalloligands","Inorganic Chemistry","2007","46","","2968","2970","10.1021/ic070265f","","","0.71069","MoKα","","0.0367","0.0332","","","0.0896","0.0917","","","","","","1.068","","","","has coordinates,has disorder","179120","2020-10-21","18:00:00",""
"4308728","17.6718","0.0005","34.1179","0.0009","32.3479","0.0006","90","","90","","90","","19503.3","0.8","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C87 H94 Cd Cl5 N4 O22 -","- C86 H60 Cd Cl5 N4 O22 -","- C688 H480 Cd8 Cl40 N32 O176 -","8","1","","Chuan-De Wu; Wenbin Lin","Self-Assembly of Homochiral Porous Solids Based on 1D Cadmium(II) Coordination Polymers","Inorganic Chemistry","2005","44","","1178","1180","10.1021/ic048671b","","","0.71073","MoKα","","","0.1185","","","0.2637","0.2801","","","","","","1.195","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4310010","24.069","0.002","36.637","0.003","22.2568","0.0019","90","","90","","90","","19626","3","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C184 H170 Cl14 N4 O19 P6 Rh6 -","- C184 H128 Cl14 N4 O19 P6 Rh6 -","- C736 H512 Cl56 N16 O76 P24 Rh24 -","4","0.5","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0819","0.0611","","","0.1567","0.1758","","","","","","1.101","","","","has coordinates,has disorder","179139","2020-10-21","18:00:00",""
"4310299","9.9584","0.0005","17.1445","0.0009","31.4379","0.0016","90","","90","","90","","5367.4","0.5","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C32 H56 Cd N24 O10 P6 -","- C32 H56 Cd N24 O10 P6 -","- C128 H224 Cd4 N96 O40 P24 -","4","0.5","","Vadapalli Chandrasekhar; Venkatasubbaiah Krishnan; Alexander Steiner; Jamie F. Bickley","Cyclotriphosphazene Hydrazides as Efficient Multisite Coordination Ligands. η3-fac-non-geminal-N3 Coordination of spiro-N3P3[O2C12H8][N(Me)NH2]4(L) in L2CoCl3 and L2M(NO3)2 (M = Ni, Zn, Cd)","Inorganic Chemistry","2004","43","","166","172","10.1021/ic034561d","","","0.71073","MoKα","","0.0473","0.043","","","0.1151","0.1181","","","","","","1.072","","","","has coordinates,has disorder","179141","2020-10-21","18:00:00",""
"4311468","10.585","0.002","14.807","0.003","27.67","0.006","90","","90","","90","","4336.8","1.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C22 H24 Mo N2 O6 -","- C22 H24 Mo N2 O6 -","- C176 H192 Mo8 N16 O48 -","8","1","","Karuppasamy Kandasamy; Harkesh B. Singh; Ray J. Butcher; Jerry P. Jasinski","Synthesis, Structure, and Catalytic Properties of VIV, MnIII, MoVI, and UVI Complexes Containing Bidentate (N, O) Oxazine and Oxazoline Ligands","Inorganic Chemistry","2004","43","","5704","5713","10.1021/ic0352093","","","0.71073","MoKα","","0.1596","0.0617","","","0.1445","0.1905","","","","","","1.033","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311725","24.775","0.002","13.8968","0.0009","22.0113","0.0015","90","","90","","90","","7578.3","0.9","223","2","223","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cl2 Mn N6 O10.5 -","- C36 H31 Cl2 Mn N6 O10.5 -","- C288 H248 Cl16 Mn8 N48 O84 -","8","1","","Gema Fernández; Montserrat Corbella; Montserrat Alfonso; Helen Stoeckli-Evans; Isabel Castro","A Comparative XAS and X-ray Diffraction Study of New Binuclear Mn(III) Complexes with Catalase Activity. Indirect Effect of the Counteranion on Magnetic Properties","Inorganic Chemistry","2004","43","","6684","6698","10.1021/ic0348897","","","0.71073","MoKα","","0.0657","0.0357","","","0.0633","0.0704","","","","","","0.813","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4313039","13.396","0.0016","14.9412","0.0018","12.0953","0.0014","90","","90","","90","","2420.9","0.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","7,15-Diacetyl-2,3,4,4a,5,9,10,11,12,13,17,17a-dodecahydro-1H-5,9,13,17- tetraaza-benzocyclopentadecenium(2+) hexafluorophosphate","","- C17 H30 F12 N4 P2 -","- C17 H30 F12 N4 P2 -","- C68 H120 F48 N16 P8 -","4","0.5","","Guodong Du; Arkady Ellern; L. Keith Woo","Synthesis and Characterization of Chiral Tetraaza Macrocyclic Nickel(II) and Palladium(II) Complexes","Inorganic Chemistry","2003","42","","873","877","10.1021/ic025818v","","","0.71073","MoKα","","0.0428","0.0335","","","0.0778","0.0807","","","","","","0.972","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313057","11.4484","0.001","14.3019","0.0012","23.552","0.002","90","","90","","90","","3856.3","0.6","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C42 H34 Cd N4 O7 -","- C42.2 H30.2 Cd N3.89 O7 -","- C168.8 H120.8 Cd4 N15.56 O28 -","4","0.5","","Yong Cui; Helen L. Ngo; Peter S. White; Wenbin Lin","Hierarchical Assembly of Homochiral Porous Solids Using Coordination and Hydrogen Bonds","Inorganic Chemistry","2003","42","","652","654","10.1021/ic025932d","","","0.71073","MoKα","","0.0832","0.0618","","","0.1567","0.1693","","","","","","1.152","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313944","23.3535","0.0014","30.783","0.0018","14.5083","0.0009","90","","90","","90","","10429.9","1.1","298","2","298","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C70 H54 Cl28 N6 O22 P2 Ru -","- C70 H28 Cl28 N6 O22 P2 Ru -","- C280 H112 Cl112 N24 O88 P8 Ru4 -","4","0.5","","Murielle Chavarot; Stéphane Ménage; Olivier Hamelin; Florence Charnay; Jacques Pécaut; Marc Fontecave","""Chiral-at-Metal"" Octahedral Ruthenium(II) Complexes with Achiral Ligands: A New Type of Enantioselective Catalyst","Inorganic Chemistry","2003","42","","4810","4816","10.1021/ic0341338","","","0.71073","MoKα","","0.0591","0.0474","","","0.1432","0.1487","","","","","","1.089","","","","has coordinates","179207","2020-10-21","18:00:00",""
"4313965","8.174","0.002","24.497","0.007","29.161","0.008","90","","90","","90","","5839","3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H16 N O12 Yb2 -","- C30 H16 N O12 Yb2 -","- C240 H128 N8 O96 Yb16 -","8","1","","Yonghong Wan; Liping Zhang; Linpei Jin; Song Gao; Shaozhe Lu","High-Dimensional Architectures from the Self-Assembly of Lanthanide Ions with Benzenedicarboxylates and 1,10-Phenanthroline","Inorganic Chemistry","2003","42","","4985","4994","10.1021/ic034258c","","","0.71073","MoKα","","0.0492","0.0357","","","0.0735","0.0856","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314167","9.272","0.002","16.164","0.012","27.851","0.002","90","","90","","90","","4174","3","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","[(4-aminomethyl)pyridine]silver(I) tetrafluoroborate acetonitrile solvate","","- C15 H20.5 Ag2 B2 F8 N5.5 -","- C14 H17.5 Ag2 B2 F8 N5.5 -","- C112 H140 Ag16 B16 F64 N44 -","8","1","","S. Sailaja; M. V. Rajasekharan","Synthesis and Structure of Coordination Polymers of Ag(I) with Isomeric (Aminomethyl)pyridines. Formation of A Novel Circular Helicate and 2-D Networks via Ag...Ag Contacts and Coordination Shell Expansion under Anion Control","Inorganic Chemistry","2003","42","","5675","5684","10.1021/ic0342292","","","0.71073","MoKα","","0.1183","0.0766","","","0.2064","0.2308","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314467","19.0729","0.0008","21.6099","0.0009","27.5003","0.0011","90","","90","","90","","11334.6","0.8","150","1","150","1","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C44 H49 Ag2 B2 F8 N17 O4 -","- C44 H49 Ag2 B2 F8 N17 O4 -","- C352 H392 Ag16 B16 F64 N136 O32 -","8","1","","Daniel L. Reger; Elizabeth A. Foley; Mark D. Smith","Structural Impact of Multitopic Third-Generation Bis(1-pyrazolyl)methane Ligands: Double, Mononuclear Metallacyclic Silver(I) Complexes","Inorganic Chemistry","2010","49","","234","242","10.1021/ic901899r","","","0.71073","MoKα","","0.0585","0.0505","","","0.12","0.1248","","","","","","0.977","","","","has coordinates,has disorder","179218","2020-10-21","18:00:00",""
"4314660","11.2125","0.0013","18.4339","0.0013","26.755","0.002","90","","90","","90","","5530","0.9","0","2","0","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","bis-(o-methoxy-benzyl)-dichloride-tin, THF solvate","","- C17.33333 H20.66667 Cl2 O2.33333 Sn -","- C17.3333 H20.6667 Cl2 O2.33333 Sn -","- C208 H248 Cl24 O28 Sn12 -","12","1.5","","Diana Gabriela Vargas-Pineda; Tanya Guardado; Francisco Cervantes-Lee; Alejandro J. Metta-Magana; Keith H. Pannell","Intramolecular Chalcogen-Tin Interactions in [(o-MeEC6H4)CH2]2SnPh2-nCln (E = S, O, CH2; n= 0, 1, 2) and Intermolecular Chlorine-Tin Interactions in the meta- and para-Methoxy Isomers","Inorganic Chemistry","2010","49","","960","968","10.1021/ic901800c","","","0.71073","MoKα","","0.0344","0.0333","","","0.0804","0.0812","","","","","","1.154","","","","has coordinates","273129","2022-02-23","10:11:34",""
"4316225","14.6629","0.0012","15.0013","0.0012","19.9118","0.0017","90","","90","","90","","4379.9","0.6","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C9 H33 B9 Ir N P2 S -","- C9 H32.878 B9 Ir N P2 S -","- C72 H263.024 B72 Ir8 N8 P16 S8 -","8","1","","Jonathan Bould; Carmen Cunchillos; Fernando J. Lahoz; Luis A. Oro; John D. Kennedy; Ramón Macías","New Iridathiaboranes with Reversible Isonido\λeftarrow\ρightarrowNido Cluster Flexibility","Inorganic Chemistry","2010","49","","7353","7361","10.1021/ic1004769","","","0.71073","MoKα","","0.0474","0.0385","","","0.083","0.0864","","","","","","1.046","","","","has coordinates,has disorder","179242","2020-10-21","18:00:00",""
"4316398","6.8531","0.0002","39.0426","0.0008","7.4976","0.0002","90","","90","","90","","2006.08","0.09","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Na O12 Y -","- C18 H16 Na O12 Y -","- C72 H64 Na4 O48 Y4 -","4","0.5","","Zakariae Amghouz; Laura Roces; Santiago García-Granda; José R. García; Badredine Souhail; Luís Mafra; Fa-nian Shi; João Rocha","Metal Organic Frameworks Assembled from Y(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates","Inorganic Chemistry","2010","49","","7917","7926","10.1021/ic100867w","","","1.54184","CuKα","","0.0317","0.0278","","","0.0715","0.0723","","","","","","1.145","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316399","6.8854","0.0002","30.3859","0.0007","7.4741","0.0002","90","","90","","90","","1563.72","0.07","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Na O12 Y -","- C12 H12 Na O12 Y -","- C48 H48 Na4 O48 Y4 -","4","0.5","","Zakariae Amghouz; Laura Roces; Santiago García-Granda; José R. García; Badredine Souhail; Luís Mafra; Fa-nian Shi; João Rocha","Metal Organic Frameworks Assembled from Y(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates","Inorganic Chemistry","2010","49","","7917","7926","10.1021/ic100867w","","","1.54184","CuKα","","0.0334","0.0303","","","0.0622","0.0627","","","","","","1.024","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316558","14.611","0.0017","17.121","0.002","28.675","0.003","90","","90","","90","","7173.2","1.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C64 H103 F2 N17 O11 -","- C64 H103 F2 N17 O11 -","- C256 H412 F8 N68 O44 -","4","0.5","","Sung Ok Kang; Victor W. Day; Kristin Bowman-James","Tricyclic Host for Linear Anions","Inorganic Chemistry","2010","49","","8629","8636","10.1021/ic1013297","","","0.71073","MoKα","","0.0842","0.0743","","","0.2119","0.2213","","","","","","1.02","","","","has coordinates,has disorder","179245","2020-10-21","18:00:00",""
"4316983","11.734","0.007","16.033","0.016","18.492","0.009","90","","90","","90","","3479","4","204","","200","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C30 H38 B2 Cu F8 N4 O4 -","- C30 H38 B2 Cu F8 N4 O4 -","- C120 H152 B8 Cu4 F32 N16 O16 -","4","0.5","","Atsushi Okazawa; Takayuki Ishida","Spin-Transition-Like Behavior on One Side in a Nitroxide-Copper(II)-Nitroxide Triad System","Inorganic Chemistry","2010","49","","10144","10147","10.1021/ic101536q","","","0.7107","MoKα","","","0.0524","","","","0.0665","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317760","12.5686","0.0016","14.4059","0.0016","22.515","0.003","90","","90","","90","","4076.6","0.9","298","2","298","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","[Mn2(O2CCH3)3(bpea)2](PF6)","","- C34 H43 F6 Mn2 N6 O6 P -","- C34 H43 F6.02 Mn2 N6 O6 P -","- C136 H172 F24.08 Mn8 N24 O24 P4 -","4","0.5","","Isabel Romero; Lionel Dubois; Marie-Noëlle Collomb; Alain Deronzier; Jean-Marc Latour; Jacques Pécaut","A Dinuclear Manganese(II) Complex with the {Mn2(μ-O2CCH3)3}+ Core: Synthesis, Structure, Characterization, Electroinduced Transformation, and Catalase-like Activity","Inorganic Chemistry","2002","41","","1795","1806","10.1021/ic010721e","","","0.71073","MoKα","","0.1078","0.0541","","","0.1341","0.1499","","","","","","0.93","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4319212","15.792","0.002","17.561","0.004","20.451","0.003","90","","90","","90","","5671.5","1.7","213","2","213","2","","","","","","","synthesis","7","C 2 2 21","C 2c 2","20","","","","- C46 H44 Cl4 Co2 Mo2 N16 O2 -","- C46 H36 Cl4 Co2 Mo2 N16 O2 -","- C184 H144 Cl16 Co8 Mo8 N64 O8 -","4","0.5","","Rodolphe Clérac; F. Albert Cotton; Kim R. Dunbar; Carlos A. Murillo; Xiaoping Wang","Dinuclear and Heteropolynuclear Complexes Containing Mo24+ Units","Inorganic Chemistry","2001","40","","420","426","10.1021/ic001002n","","","0.71073","MoKα","","0.0776","0.075","","0.1823","0.1736","","","","1.2","1.208","1.208","","","","","has coordinates","179272","2020-10-21","18:00:00",""
"4319932","7.9453","0.0005","10.3439","0.0007","11.6252","0.0007","90","","90","","90","","955.42","0.11","298","","298","","","","","","","","synthesis as described","5","C 2 2 21","C 2c 2","20","","sodium tin trisilicate dihydrate","","- H4 Na2 O11 Si3 Sn -","- Na2 O11 Si3 Sn -","- Na8 O44 Si12 Sn4 -","4","0.5","","Artur Ferreira; Zhi Lin; João Rocha; Cláudia M. Morais; Marta Lopes; Christian Fernandez","Ab Initio Structure Determination of a Small-Pore Framework Sodium Stannosilicate","Inorganic Chemistry","2001","40","","3330","3335","10.1021/ic0012571","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0495","1.93","","","","","","","has coordinates","213922","2020-10-21","18:00:00",""
"4320680","14.2966","0.0008","23.9396","0.0014","14.75","0.0008","90","","90","","90","","5048.3","0.5","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C41 H69 N12 Nb -","- C41 H69 N12 Nb -","- C164 H276 N48 Nb4 -","4","0.5","","Carlos Yélamos; Karl R. Gust; Anwar G. Baboul; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands: Synthesis, Structure, and Molecular Orbital Studies","Inorganic Chemistry","2001","40","","6451","6462","10.1021/ic0109389","","","0.71073","MoKα","","0.0743","0.0492","","0.0996","0.091","","","","1.024","1.064","1.064","","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4322217","11.994","0.0002","35.0895","0.0008","22.2423","0.0004","90","","90","","90","","9361","0.3","193","2","386","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C100 H144 N4 Ni O8 -","- C100 H144 N4 Ni O8 -","- C400 H576 N16 Ni4 O32 -","4","0.5","","Céline Pérollier; Jacques Pécaut; René Ramasseul; Jean-Claude Marchon","Asymmetric Epoxidation of 1,2-Dihydronaphthalene Catalyzed by Manganese Chiroporphyrins: Stereoinduction Directed by Steric Exclusion","Inorganic Chemistry","1999","38","","3758","3759","10.1021/ic990295l","","","0.71073","MoKα","","0.1215","0.079","","0.2045","0.184","","","","1.13","1.264","1.264","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4323202","13.986","0.003","24.201","0.005","9.3691","0.0008","90","","90","","90","","3171.2","1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C2 H3 Ag B11 Br11 -","- Ag B12 Br11.16 -","- Ag4 B48 Br44.64 -","4","0.5","","Zuowei Xie; Chi-Wing Tsang; Eric Tung-Po Sze; Qingchuan Yang; Dominic T. W. Chan; Thomas C. W. Mak","Highly Chlorinated, Brominated, and Iodinated Icosahedral Carborane Anions: 1-H-CB11X11-, 1-CH3-CB11X11- (X = Cl, Br, I); 1-Br-CB11Br11-","Inorganic Chemistry","1998","37","","6444","6451","10.1021/ic9805628","","","0.71073","MoKα","","0.1164","0.0956","","0.3137","0.2337","","","","1.134","1.149","1.149","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323493","7.12","0.001","15.899","0.003","16.946","0.004","90","","90","","90","","1918.3","0.6","178","2","178","2","","","","","","","","4","C 2 2 21","C 2c 2","20","[Ti(NMe2)2(N3)2(py)2]","","","- C14 H22 N10 Ti -","- C14 H22 N10 Ti -","- C56 H88 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","","0.0526","0.0418","","0.1269","0.1015","","","","1.097","1.128","1.128","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4324046","9.4478","0.0011","24.2995","0.0011","18.231","0.001","90","","90","","90","","4185.4","0.6","295","2","296","2","","","","","","","slow evaporation of a CH2Cl2/heptane solution","6","C 2 2 21","C 2c 2","20","Ditechnetium tetrachloro tetra(dimethylphenyl)phosphine hexafluorophosphate","Ditechnetium tetrachloro tetra(dimethylphenyl)phosphine hexafluorophosphate","","- C32 H44 Cl4 F6 P5 Tc2 -","- C32 H44 Cl4 F6 P5 Tc2 -","- C128 H176 Cl16 F24 P20 Tc8 -","4","0.5","","F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger","Metal-Metal Multiply-Bonded Complexes of Technetium. 3.1 Preparation and Characterization of Phosphine Complexes of Technetium Possessing a Metal-Metal Bond Order of 3.5","Inorganic Chemistry","1996","35","","1831","1838","10.1021/ic9508583","","","1.54184","CuKα","","0.0325","0.0309","","0.0825","0.0812","","","","1.107","1.107","1.107","","","","","has coordinates,has disorder","179343","2020-10-21","18:00:00",""
"4326614","36.7911","0.0013","60.4299","0.0013","40.1216","0.0009","90","","90","","90","","89202","4","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Au25 Cl2 P10 S5 -","- Au25 Cl2 P10 S5 -","- Au200 Cl16 P80 S40 -","8","1","","Huifeng Qian; William T. Eckenhoff; Mark E. Bier; Tomislav Pintauer; Rongchao Jin","Crystal Structures of Au2 Complex and Au25 Nanocluster and Mechanistic Insight into the Conversion of Polydisperse Nanoparticles into Monodisperse Au25 Nanoclusters","Inorganic Chemistry","2011","50","","10735","10739","10.1021/ic2012292","","","0.71073","MoKα","","0.3716","0.2826","","","0.5765","0.6349","","","","","","2.131","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4326628","10.4333","0.001","12.167","0.002","13.8077","0.0011","90","","90","","90","","1752.8","0.4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H22 Mn2 O13 -","- C10 H22 Mn2 O13 -","- C40 H88 Mn8 O52 -","4","0.5","","Mariadel Déniz; Jorge Pasán; Jesús Ferrando-Soria; Oscar Fabelo; Laura Cañadillas-Delgado; Consuelo Yuste; Miguel Julve; Joan Cano; Catalina Ruiz-Pérez","Synthesis, Structural Analysis, and Magnetic Properties of Ethylmalonate-Manganese(II) Complexes","Inorganic Chemistry","2011","50","","10765","10776","10.1021/ic201314k","","x-ray","0.71073","MoKα","","0.0156","0.0142","","","0.034","0.0346","","","","","","1.124","","","","has coordinates","179369","2020-10-21","18:00:00",""
"4327779","11.354","0.0002","21.2909","0.0006","9.953","0.0002","90","","90","","90","","2406.01","0.09","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C18 H40 Cu2 N6 -","- C18 H40 Cu2 N6 -","- C72 H160 Cu8 N24 -","4","0.5","","Alexander M. Willcocks; Thomas P. Robinson; Christopher Roche; Thomas Pugh; Stephen P. Richards; Andrew J. Kingsley; John P. Lowe; Andrew L. Johnson","Multinuclear Copper(I) Guanidinate Complexes","Inorganic Chemistry","2012","51","","246","257","10.1021/ic201602m","","","0.71073","MoKα","","0.0376","0.0309","","","0.0746","0.0776","","","","","","1.05","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4328042","13.72","0.0019","33.82","0.005","15.37","0.002","90","","90","","90","","7131.8","1.7","120","2","120","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C70 H80 Cl4 Mn4 N4 O18 -","- C70 H64 Cl4 Mn4 N4 O18 -","- C280 H256 Cl16 Mn16 N16 O72 -","4","0.5","","Masakazu Hirotsu; Yuu Shimizu; Naoto Kuwamura; Rika Tanaka; Isamu Kinoshita; Ryoichi Takada; Yoshio Teki; Hideki Hashimoto","Anion-Controlled Assembly of Four Manganese Ions: Structural, Magnetic, and Electrochemical Properties of Tetramanganese Complexes Stabilized by Xanthene-Bridged Schiff Base Ligands","Inorganic Chemistry","2012","51","","766","768","10.1021/ic202287k","","","0.7107","MoKα","","0.0845","0.0795","","","0.1647","0.1677","","","","","","1.161","","","","has coordinates,has disorder","179383","2020-10-21","18:00:00",""
"4328194","6.922","0.0001","30.5039","0.0006","7.5457","0.0002","90","","90","","90","","1593.26","0.06","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H12 Eu0.14 Gd0.86 Na O12 -","- C12 H12 Eu0.14 Gd0.86 Na O12 -","- C48 H48 Eu0.56 Gd3.44 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0316","0.029","","","0.0736","0.0747","","","","","","1.05","","","","has coordinates,has disorder","179384","2020-10-21","18:00:00",""
"4328195","6.9422","0.0001","30.5658","0.0005","7.5842","0.0001","90","","90","","90","","1609.32","0.04","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Na O12 Sm -","- C12 H12 Na O12 Sm -","- C48 H48 Na4 O48 Sm4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0307","0.0278","","","0.07","0.0713","","","","","","1.101","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328196","6.9094","0.0002","39.205","0.0008","7.5963","0.0002","90","","90","","90","","2057.71","0.09","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Na O12 Sm -","- C18 H16 Na O12 Sm -","- C72 H64 Na4 O48 Sm4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0196","0.0181","","","0.0412","0.0417","","","","","","1.041","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328197","6.9287","0.0003","30.46","0.002","7.5611","0.0004","90","","90","","90","","1595.76","0.15","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Eu Na O12 -","- C12 H12 Eu Na O12 -","- C48 H48 Eu4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.5418","CuKα","","0.0549","0.05","","","0.1366","0.1393","","","","","","1.131","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328198","6.8969","0.0004","39.176","0.002","7.5752","0.0004","90","","90","","90","","2046.77","0.19","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Eu Na O12 -","- C18 H16 Eu Na O12 -","- C72 H64 Eu4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0357","0.0314","","","0.0701","0.0732","","","","","","1.058","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328199","6.92","0.002","30.559","0.007","7.5478","0.0014","90","","90","","90","","1596.1","0.7","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Gd Na O12 -","- C12 H12 Gd Na O12 -","- C48 H48 Gd4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0653","0.0472","","","0.1043","0.114","","","","","","1.023","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328200","6.8912","0.0001","39.1425","0.0005","7.5597","0.0001","90","","90","","90","","2039.14","0.05","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Gd Na O12 -","- C18 H16 Gd Na O12 -","- C72 H64 Gd4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0153","0.0152","","","0.0369","0.037","","","","","","1.083","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328201","6.9031","0.0003","30.4533","0.0011","7.5215","0.0002","90","","90","","90","","1581.19","0.1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Na O12 Tb -","- C12 H12 Na O12 Tb -","- C48 H48 Na4 O48 Tb4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0437","0.0409","","","0.11","0.1123","","","","","","1.101","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328202","6.8767","0.0002","39.1054","0.0014","7.5359","0.0003","90","","90","","90","","2026.52","0.12","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Na O12 Tb -","- C18 H16 Na O12 Tb -","- C72 H64 Na4 O48 Tb4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0355","0.0282","","","0.0563","0.0575","","","","","","0.934","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328203","6.896","0.0001","30.4341","0.0008","7.4984","0.0002","90","","90","","90","","1573.72","0.06","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Dy Na O12 -","- C12 H12 Dy Na O12 -","- C48 H48 Dy4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0345","0.0297","","","0.0637","0.066","","","","","","1.032","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328204","6.8673","0.0002","39.0815","0.0009","7.5196","0.0002","90","","90","","90","","2018.14","0.09","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Dy Na O12 -","- C18 H16 Dy Na O12 -","- C72 H64 Dy4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0325","0.0302","","","0.0802","0.0816","","","","","","1.085","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328205","6.886","0.0003","30.3878","0.0012","7.4722","0.0004","90","","90","","90","","1563.56","0.12","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Ho Na O12 -","- C12 H12 Ho Na O12 -","- C48 H48 Ho4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0428","0.0353","","","0.0736","0.0776","","","","","","0.985","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328206","6.8571","0.0002","39.0412","0.0013","7.4984","0.0002","90","","90","","90","","2007.39","0.1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Ho Na O12 -","- C18 H16 Ho Na O12 -","- C72 H64 Ho4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0347","0.0304","","","0.0766","0.078","","","","","","1.083","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328207","6.8781","0.0007","30.389","0.003","7.4593","0.0006","90","","90","","90","","1559.1","0.3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Er Na O12 -","- C12 H12 Er Na O12 -","- C48 H48 Er4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0378","0.0297","","","0.056","0.0575","","","","","","0.987","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328208","6.8454","0.0002","39.0033","0.001","7.4816","0.0002","90","","90","","90","","1997.54","0.09","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Er Na O12 -","- C18 H16 Er Na O12 -","- C72 H64 Er4 Na4 O48 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0342","0.0299","","","0.0667","0.0688","","","","","","1.023","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328209","6.8598","0.0002","30.3257","0.0008","7.4274","0.0002","90","","90","","90","","1545.11","0.07","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H12 Na O12 Yb -","- C12 H12 Na O12 Yb -","- C48 H48 Na4 O48 Yb4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0222","0.0204","","","0.0439","0.0446","","","","","","1.078","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328210","6.829","0.0001","38.9781","0.0006","7.4568","0.0001","90","","90","","90","","1984.86","0.05","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H16 Na O12 Yb -","- C18 H16 Na O12 Yb -","- C72 H64 Na4 O48 Yb4 -","4","0.5","","Zakariae Amghouz; Santiago García-Granda; José R. García; Rute A. S. Ferreira; Luís Mafra; Luis D. Carlos; João Rocha","Series of Metal Organic Frameworks Assembled from Ln(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates Exhibiting Tunable UV-vis-IR Light Emission","Inorganic Chemistry","2012","51","","1703","1716","10.1021/ic202020z","","","1.54184","CuKα","","0.0297","0.0273","","","0.0681","0.0694","","","","","","1.061","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328935","7.316","0.0005","26.4953","0.0019","24.2927","0.0017","90","","90","","90","","4708.9","0.6","200","2","200","2","","","","","","","","4","C 2 2 21","C 2c 2","20","Compound1","","","- C20 H24 Cd O12 -","- C20 H16 Cd O12 -","- C160 H128 Cd8 O96 -","8","1","","Biplab Joarder; Abhijeet K. Chaudhari; Sujit K. Ghosh","A Homochiral Luminescent 2D Porous Coordination Polymer with Collagen-Type Triple Helices Showing Selective Guest Inclusion","Inorganic Chemistry","2012","51","","4644","4649","10.1021/ic2025389","","","0.71073","MoKα","","0.0693","0.0659","","","0.1695","0.1715","","","","","","1.125","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4330055","13.3467","0.0005","29.9015","0.0011","14.6339","0.0006","90","","90","","90","","5840.2","0.4","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28.5 H39 Cl N2 O6 Zn -","- C28.5 H39 Cl N2 O6 Zn -","- C228 H312 Cl8 N16 O48 Zn8 -","8","1","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.0685","0.0433","","","0.0933","0.1031","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330056","13.2743","0.0007","29.7684","0.0014","14.6565","0.0007","90","","90","","90","","5791.6","0.5","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28.5 H39 Cl N2 O6 Zn -","- C28.5 H39 Cl N2 O6 Zn -","- C228 H312 Cl8 N16 O48 Zn8 -","8","1","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.0519","0.0389","","","0.0942","0.1013","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330112","10.7","0.002","25.095","0.007","21.565","0.005","90","","90","","90","","5791","2","373","2","373","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C116 H142 Dy2 N10 O15 -","- C116 H142 Dy2 N10 O15 -","- C232 H284 Dy4 N20 O30 -","2","0.25","","Jian Liu; Xiao-Peng Zhang; Tao Wu; Bin-Bin Ma; Tian-Wei Wang; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You","Solvent-Induced Single-Crystal-to-Single-Crystal Transformation in Multifunctional Chiral Dysprosium(III) Compounds","Inorganic Chemistry","2012","51","","8649","8651","10.1021/ic3012475","","","0.71073","MoKα","","0.0778","0.0643","","","0.147","0.1502","","","","","","1.078","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330113","10.644","0.005","24.485","0.011","21.436","0.009","90","","90","","90","","5587","4","291","2","291","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C116 H136 Dy2 N10 O15 -","- C116 H136 Dy2 N10 O15 -","- C232 H272 Dy4 N20 O30 -","2","0.25","","Jian Liu; Xiao-Peng Zhang; Tao Wu; Bin-Bin Ma; Tian-Wei Wang; Cheng-Hui Li; Yi-Zhi Li; Xiao-Zeng You","Solvent-Induced Single-Crystal-to-Single-Crystal Transformation in Multifunctional Chiral Dysprosium(III) Compounds","Inorganic Chemistry","2012","51","","8649","8651","10.1021/ic3012475","","","0.71073","MoKα","","0.0565","0.0476","","","0.1209","0.1269","","","","","","1.033","","","","has coordinates","179404","2020-10-21","18:00:00",""
"4330334","14.9373","0.0017","16.3418","0.0018","34.928","0.004","90","","90","","90","","8526","1.7","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C84 H56 Cl12 Cu8 N20 -","- C84 H56 Cl12 Cu8 N20 -","- C336 H224 Cl48 Cu32 N80 -","4","0.5","","Yanmei Chen; Lei Li; Zhou Chen; Yonglu Liu; Hailiang Hu; Wenqian Chen; Wei Liu; Yahong Li; Tao Lei; Yanyuan Cao; Zhenghui Kang; Miaoshui Lin; Wu Li","Metal-Mediated Controllable Creation of Secondary, Tertiary, and Quaternary Carbon Centers: A Powerful Strategy for the Synthesis of Iron, Cobalt, and Copper Complexes with in Situ Generated Substituted 1-Pyridineimidazo[1,5-a]pyridine Ligands","Inorganic Chemistry","2012","51","","9705","9713","10.1021/ic300949y","","","0.71073","MoKα","","0.1189","0.0884","","","0.23","0.249","","","","","","1.074","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4331433","10.002","","14.197","","7.458","","90","","90","","90","","1059.02","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Sr5 Br (B O3)3","","- B3 Br O9 Sr5 -","- B3 Br O9 Sr5 -","- B12 Br4 O36 Sr20 -","4","0.5","","Alekel, T.; Keszler, D.A.","New strontium borate halides: Sr5 (B O3)3 X (X= F, Br)","Inorganic Chemistry","1993","32","","101","105","10.1021/ic00053a017","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332853","11.6677","0.0014","21.065","0.003","14.3725","0.0017","90","","90","","90","","3532.5","0.8","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","SrFm","","- H18 O80 Sr5 U22 -","- O80 Sr4.88 U22 -","- O160 Sr9.76 U44 -","2","0.25","","Kubatko, Karrie-Ann; Burns, Peter C.","Cation−Cation Interactions in Sr5(UO2)20(UO6)2O16(OH)6(H2O)6and Cs(UO2)9U3O16(OH)5","Inorganic Chemistry","2006","45","25","10277","10281","10.1021/ic0609453","","","0.71073","MoKα","","0.0503","0.043","","","0.1024","0.112","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332867","16.396","0.002","17.135","0.002","18.341","0.003","90","","90","","90","","5152.8","1.2","193","2","193","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C32 H30 Cu4 N12 O S8 W -","- C32 H30 Cu4 N12 O S8 W -","- C128 H120 Cu16 N48 O4 S32 W4 -","4","0.5","","Lang, Jian-Ping; Xu, Qing-Feng; Zhang, Wen-Hua; Li, Hong-Xi; Ren, Zhi-Gang; Chen, Jin-Xiang; Zhang, Yong","Mo(W)/Cu/S Cluster-Based Supramolecular Arrays Assembled from Preformed Clusters [Et4N]4[WS4Cu4I6] and [(n-Bu)4N]2[MoOS3Cu3X3] (X = I, SCN) with Flexible Ditopic Ligands","Inorganic Chemistry","2006","45","26","10487","10496","10.1021/ic060974d","","","0.7107","MoKα","","0.0852","0.0811","","","0.1911","0.1935","","","","","","1.192","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332966","13.6852","0.0009","16.1279","0.0011","13.7491","0.0009","90","","90","","90","","3034.6","0.3","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","N-(4-picolyl)-4-nitroaniline - Zinc(II) propionate","","- C30 H32 N6 O8 Zn -","- C30 H32 N6 O8 Zn -","- C120 H128 N24 O32 Zn4 -","4","0.5","","Prakash, M. Jaya; Radhakrishnan, T. P.","SHG Active Crystals of a Remote Functionalized Achiral NLO-phore Assembled through Zinc(II) Complexation","Inorganic Chemistry","2006","45","24","9758","9764","10.1021/ic061145v","","","0.71073","MoKα","","0.0492","0.0407","","","0.0915","0.0951","","","","","","1.085","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4333603","5.892","0.002","13.781","0.005","11.792","0.005","90","","90","","90","","957.5","0.6","120","2","120","2","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- Ge7 Sm4 -","- Ge7 Sm4 -","- Ge28 Sm16 -","4","0.5","","Jiliang Zhang; Paul H. Tobash; William D. Pryz; Douglas J. Buttey; Namjung Hur; Joe D. Thompson; John L. Sarrao; Svilen Bobev","Synthesis, Structural Characterization, and Physical Properties of the Early Rare-Earth Metal Digermanides REGe2-x (x~ 1/4) [RE= La-Nd, Sm]. A Case Study of Commensurately and Incommensurately Modulated Structures","Inorganic Chemistry","2013","52","","953","964","10.1021/ic3021645","","","0.71073","MoKα","","0.0384","0.0345","","","0.0839","0.0864","","","","","","1.163","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333714","6.53","0.0005","19.7834","0.0018","17.3451","0.0015","90","","90","","90","","2240.7","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Mo5 O22 P2 Rb4 -","- Mo5 O22 P2 Rb4 -","- Mo20 O88 P8 Rb16 -","4","0.5","","Ying Wang; Shilie Pan; Xin Su; Zhihua Yang; Lingyun Dong; Min Zhang","New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22","Inorganic Chemistry","2013","52","","1488","1495","10.1021/ic302246c","","","0.71073","MoKα","","0.0369","0.0281","","","0.0421","0.0445","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334741","15.345","0.001","26.997","0.001","37.335","0.002","90","","90","","90","","15466.7","1.4","100","2","100","2","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C92 F36 -","- C92 F36 -","- C736 F288 -","8","1","","Shangfeng Yang; Tao Wei; Nadezhda B. Tamm; Erhard Kemnitz; Sergey I. Troyanov","Trifluoromethyl and Chloro Derivatives of a Higher Fullerene D2-C80(2): C80(CF3)12 and C80Cl28","Inorganic Chemistry","2013","52","","4768","4770","10.1021/ic400358e","","","0.88561","synchrotron","","0.0543","0.0486","","","0.122","0.128","","","","","","1.001","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4335042","39.647","0.005","15.4126","0.0019","27.329","0.003","90","","90","","90","","16700","3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C120 H94 Cl2 Mn2 N24 O24 -","- C120 H94 Cl2 Mn2 N24 O24 -","- C480 H376 Cl8 Mn8 N96 O96 -","4","0.5","","Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla","Architectural Spiroligomers Designed for Binuclear Metal Complex Templating","Inorganic Chemistry","2013","52","","6457","6463","10.1021/ic4003498","","","0.71073","MoKα","","0.0868","0.0642","","","0.1634","0.1737","","","","","","1.069","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335360","15.31","0.002","21.694","0.002","19.245","0.003","90","","90","","90","","6391.9","1.4","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C48 H86 N6 O15 P2 Pd6 -","- C48 H84 N6 O15 P2 Pd6 -","- C192 H336 N24 O60 P8 Pd24 -","4","0.5","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.1158","0.06","","","0.1135","0.1338","","","","","","1.002","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335869","18.515","0.002","57.377","0.005","48.822","0.005","90","","90","","90","","51865","9","90","2","90","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C71 H95.5 Mn3 N1.5 O16 S6 -","- C71 H95.5 Mn3 N1.5 O16 S6 -","- C1136 H1528 Mn48 N24 O256 S96 -","16","2","","Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf","Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","10021","10030","10.1021/ic401305c","","","1.54178","CuKα","","0.1231","0.0886","","","0.2363","0.2588","","","","","","0.963","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336248","13.166","0.0009","30.941","0.003","24.9786","0.0019","90","","90","","90","","10175.5","1.4","293","2","293","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C92 H90 F24 Fe2 N10 O2 P8 Ru -","- C92 H90 F24 Fe2 N10 O2 P8 Ru -","- C368 H360 F96 Fe8 N40 O8 P32 Ru4 -","4","0.5","","Xiao Ma; Sheng-Min Hu; Chun-Hong Tan; Yong-Fan Zhang; Xu-Dong Zhang; Tian-Lu Sheng; Xin-Tao Wu","From Antiferromagnetic to Ferromagnetic Interaction in Cyanido-Bridged Fe(III)-Ru(II)-Fe(III) Complexes by Change of the Central Diamagnetic Cyanido-Metal Geometry","Inorganic Chemistry","2013","52","","11343","11350","10.1021/ic401604q","","","0.71073","MoKα","","0.0875","0.0769","","","0.2048","0.2244","","","","","","1.034","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336349","14.3816","0.0003","20.1066","0.0003","19.2514","0.0003","90","","90","","90","","5566.83","0.17","180","2","180","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C63 H61 F6 O2 P5 Ru -","- C63 H61 F6 O2 P5 Ru -","- C252 H244 F24 O8 P20 Ru4 -","4","0.5","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.021","0.0202","","","0.0511","0.0516","","","","","","1.064","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336350","14.3933","0.0003","20.089","0.0004","19.2867","0.0004","90","","90","","90","","5576.7","0.2","180","2","180","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C63 H61 F6 O2 P5 Ru -","- C63 H61 F6 O2 P5 Ru -","- C252 H244 F24 O8 P20 Ru4 -","4","0.5","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.031","0.0287","","","0.0669","0.0681","","","","","","1.031","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4337145","12.276","0.003","27.657","0.006","21.046","0.005","90","","90","","90","","7145","3","103","","103","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C74 H104 Mn2 N5 O7 -","- C74 H104 Mn2 N5 O7 -","- C296 H416 Mn8 N20 O28 -","4","0.5","","Kurahashi, Takuya; Hada, Masahiko; Fujii, Hiroshi","Di-μ-oxo Dimetal Core of Mn(IV) and Ti(IV) as a Linker Between Two Chiral Salen Complexes Leading to the Stereoselective Formation of Different M- and P-Helical Structures.","Inorganic chemistry","2014","53","2","1070","1079","10.1021/ic402572h","","","0.7107","MoKα","","","0.0413","","","","0.1071","","","","","","1.086","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337368","18.3559","0.0014","26.314","0.002","42.406","0.003","90","","90","","90","","20483","3","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C55 H0 Ir N8 O10 Zn2 -","- C55.2159 Ir1.0002 N4.0008 O10 Zn2 -","- C441.727 Ir8.0016 N32.0064 O80 Zn16 -","8","1","","Wang, Cheng; Liu, Demin; Xie, Zhigang; Lin, Wenbin","Functional Metal-Organic Frameworks via Ligand Doping: Influences of Ligand Charge and Steric Demand.","Inorganic chemistry","2014","53","3","1331","1338","10.1021/ic402015q","","","1.54178","CuKα","","0.1736","0.1256","","","0.3232","0.3568","","","","","","1.049","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337657","9.23","0.0007","13.2842","0.001","11.1757","0.0009","90","","90","","90","","1370.29","0.18","193","2","193","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C H2 Ag2 F2 O12 P2 U2 -","- C H2 Ag2 F2 O12 P2 U2 -","- C4 H8 Ag8 F8 O48 P8 U8 -","4","0.5","","Nelson, Anna-Gay D; Rak, Zsolt; Albrecht-Schmitt, Thomas E; Becker, Udo; Ewing, Rodney C.","Three new silver uranyl diphosphonates: structures and properties.","Inorganic chemistry","2014","53","6","2787","2796","10.1021/ic401897n","","","0.71073","MoKα","","0.0237","0.0226","","","0.054","0.0544","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338861","22.438","0.005","24.895","0.005","39.019","0.008","90","","90","","90","","21796","8","120","2","210","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C183 H164 Au18 Cl9 P19 -","- C183 H164 Au18 Cl9 P19 -","- C732 H656 Au72 Cl36 P76 -","4","0.5","","Sevillano, Paloma; Fuhr, Olaf; Hampe, Oliver; Lebedkin, Sergej; Matern, Eberhard; Fenske, Dieter; Kappes, Manfred M.","Synthesis, characterization, and X-ray structure determination of [Au18(P)2(PPh)4(PHPh)(dppm)6]Cl3.","Inorganic chemistry","2007","46","18","7294","7298","10.1021/ic062107e","","","0.71073","MoKα","","0.0558","0.0534","","","0.1467","0.1491","","","","","","1.128","","","","has coordinates,has disorder","179491","2020-10-21","18:00:00",""
"4339292","6.6121","0.0005","13.2285","0.001","12.0851","0.0011","90","","90","","90","","1057.06","0.15","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Co2 H8 N16 -","- Co2 H8 N16 -","- Co8 H32 N64 -","4","0.5","","Wang, Xiu-Teng; Wang, Zhe-Ming; Gao, Song","Honeycomb layer of cobalt(II) azide hydrazine showing weak ferromagnetism.","Inorganic chemistry","2007","46","25","10452","10454","10.1021/ic7016775","","","0.71073","MoKα","","0.1155","0.0406","","","0.0572","0.0675","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339367","10.365","0.001","14.121","0.001","32.753","0.001","90","","90","","90","","4793.9","0.6","150","0.1","150","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H26 Br2 Ni P2 -","- C24 H26 Br2 Ni P2 -","- C192 H208 Br16 Ni8 P16 -","8","1","","Mora, Guilhem; van Zutphen, Steven; Klemps, Christian; Ricard, Louis; Jean, Yves; Le Floch, Pascal","Synthesis, X-ray, and electronic structures of a new nickel dibromide complex. Activity in the regioselective catalyzed dimerization of ethylene into 1-butene.","Inorganic chemistry","2007","46","24","10365","10371","10.1021/ic701529a","","","0.71069","MoKα","","0.0398","0.0298","","","0.0568","0.0597","","","","","","1.013","","","","has coordinates,has disorder","179496","2020-10-21","18:00:00",""
"4341733","8.551","0.001","15.038","0.0017","21.425","0.002","90","","90","","90","","2755","0.5","123","2","123","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Co(dapb)(im)2","","","- C29 H29 Co N9 O3 -","- C29 H29 Co N9 O3 -","- C116 H116 Co4 N36 O12 -","4","0.5","","Huang, Xing-Cai; Zhou, Chun; Shao, Dong; Wang, Xin-Yi","Field-Induced Slow Magnetic Relaxation in Cobalt(II) Compounds with Pentagonal Bipyramid Geometry.","Inorganic chemistry","2014","","","141119111055003","","10.1021/ic502006s","","","0.71073","MoKα","","0.0315","0.0302","","","0.0727","0.0733","","","","","","1.016","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4343671","12.776","","7.666","","12.653","","90","","90","","90","","1239.24","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Cs Cu Br3","","- Br3 Cs Cu -","- Br3 Cs Cu -","- Br24 Cs8 Cu8 -","8","1","","Li, T.I.; Stucky, G.D.","Exchange interactions in polynuclear transition metal complexes. Structural properties of cesium tribromocuprate(II), Cs Cu Br3, a strongly coupled copper(II) system","Inorganic Chemistry","1973","12","","441","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4346092","8.4341","0.0013","17.311","0.003","25.14","0.004","90","","90","","90","","3670.5","1","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H13.91 K2 O17.95 V2 -","- C8 H6 K2 O17.955 V2 -","- C64 H48 K16 O143.64 V16 -","8","1","","Cortese, Anthony J.; Wilkins, Branford; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Crystal growth of four oxovanadium(IV) tartrates prepared via a mild two-step hydrothermal method: observation of spin-dimer behavior and second harmonic generation.","Inorganic chemistry","2015","54","8","4011","4020","10.1021/acs.inorgchem.5b00275","","","0.71073","MoKα","","0.0409","0.0339","","","0.0616","0.0638","","","","","","0.922","","","","has coordinates,has disorder","231613","2020-10-21","18:00:00",""
"4346588","16.7399","0.0006","28.7996","0.0016","40.3572","0.001","90","","90","","90","","19456.3","1.4","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C100 H160 N16 O Zn -","- C100 H160 N16 O Zn -","- C800 H1280 N128 O8 Zn8 -","8","1","","Chen, Yuxiang; Cao, Wei; Wang, Kang; Jiang, Jianzhuang","Unprecedented Phthalocyanines Bearing Eight Di-butylamino Peripheral Substituents: Synthesis, Spectroscopy, and Structure.","Inorganic chemistry","2015","54","20","9962","9967","10.1021/acs.inorgchem.5b01734","","","1.54178","CuKα","","0.1337","0.1137","","","0.3004","0.3215","","","","","","1.256","","","","has coordinates","231857","2020-10-21","18:00:00",""
"4346671","21.6255","0.0005","25.9383","0.0006","39.2268","0.0008","90","","90","","90","","22003.4","0.8","173","2","173","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C32.8 H20 Br2 F10 Ir N4 O0.2 P -","- C32.8 H20 Br2 F10 Ir N4 O0.2 P -","- C656 H400 Br40 F200 Ir20 N80 O4 P20 -","20","2.5","","Xu, Chaojie; Guenet, Aurélie; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais","Molecular Tectonics: Design of Enantiopure Luminescent Heterometallic Ir(III)-Cd(II) Coordination Network.","Inorganic chemistry","2015","54","21","10429","10439","10.1021/acs.inorgchem.5b01910","","","0.71073","MoKα","","0.1139","0.054","","","0.1039","0.1163","","","","","","1.056","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4347724","31.1358","0.0006","44.3487","0.0008","20.5543","0.0004","90","","90","","90","","28382","0.9","151","1","151","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C58.8 H41.6 Cl1.6 Ir2 N8 -","- C58.8 H41.6 Cl1.6 Ir2 N8 -","- C1176 H832 Cl32 Ir40 N160 -","20","2.5","","Yao, Su-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Asymmetric Synthesis of Enantiomerically Pure Mono- and Binuclear Bis(cyclometalated) Iridium(III) Complexes.","Inorganic chemistry","2016","55","12","6018","6026","10.1021/acs.inorgchem.6b00527","","x-ray","1.54178","CuKα","","0.0622","0.0552","","","0.145","0.1524","","","","","","1.071","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4348824","8.39","0.0002","18.0142","0.0003","21.9051","0.0004","90","","90","","90","","3310.72","0.11","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H12 Co O25 U2 -","- C24 H12 Co O25 U2 -","- C96 H48 Co4 O100 U8 -","4","0.5","","Falaise, Clément; Delille, Jason; Volkringer, Christophe; Vezin, Hervé; Rabu, Pierre; Loiseau, Thierry","Series of Hydrated Heterometallic Uranyl-Cobalt(II) Coordination Polymers with Aromatic Polycarboxylate Ligands: Formation of U═O-Co Bonding upon Dehydration Process.","Inorganic chemistry","2016","55","20","10453","10466","10.1021/acs.inorgchem.6b01697","","","0.71073","MoKα","","0.0203","0.0188","","","0.0383","0.0386","","","","","","1.082","","","","has coordinates","233407","2020-10-21","18:00:00",""
"4349376","9.6544","0.0005","23.0267","0.0009","12.3254","0.0004","90","","90","","90","","2740","0.2","213","2","213","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","bis-[(S)-4-(1-phenylpropyl)-1,2,4-triazole-N1,N2] hexaoxidodimolybdenum(VI) Monohydrate","","- C22 H28 Mo2 N6 O7 -","- C22 H28 Mo2 N6 O7 -","- C88 H112 Mo8 N24 O28 -","4","0.5","","Lysenko, Andrey B.; Senchyk, Ganna A.; Domasevitch, Konstantin V.; Kobalz, Merten; Krautscheid, Harald; Cichos, Jakub; Karbowiak, Miroslaw; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S","Triazolyl, Imidazolyl, and Carboxylic Acid Moieties in the Design of Molybdenum Trioxide Hybrids: Photophysical and Catalytic Behavior.","Inorganic chemistry","2017","56","8","4380","4394","10.1021/acs.inorgchem.6b02986","","","0.71073","MoKα","","0.0293","0.022","","","0.0495","0.0503","","","","","","0.928","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4349792","14.8","0.003","24.707","0.003","21.429","0.002","90","","90","","90","","7836","2","133","2","133","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C62 H84 Cl2 Gd4 N12 O25 -","- C62 H84 Cl2 Gd4 N12 O25 -","- C248 H336 Cl8 Gd16 N48 O100 -","4","0.5","","Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling","Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere","Inorganic Chemistry Frontiers","2018","5","2","394","","10.1039/C7QI00658F","","","0.71073","MoKα","","0.024","0.0229","","","0.0555","0.0557","","","","","","1.03","","","","has coordinates","235837","2020-10-21","18:00:00",""
"4349813","11.169","0.0006","24.2978","0.0013","33.4201","0.0018","90","","90","","90","","9069.6","0.8","220","2","220","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C86 H97 Ca4 N5 O31 -","- C86 H97 Ca4 N5 O31 -","- C344 H388 Ca16 N20 O124 -","4","0.5","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","0.7749","","","0.052","0.0459","","","0.1222","0.1273","","","","","","1.034","","","","has coordinates,has disorder","235855","2020-10-21","18:00:00",""
"4350088","9.2418","0.0014","23.535","0.004","15.709","0.002","90","","90","","90","","3416.8","0.9","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H19 I9 N2 Pb3 -","- C8 H18 I9 N2 Pb3 -","- C32 H72 I36 N8 Pb12 -","4","0.5","","Yue, Cheng-Yang; Sun, Hai-Xiao; Liu, Quan-Xiu; Wang, Xin-Ming; Yuan, Zhao-Shuo; Wang, Juan; Wu, Jia-Hang; Hu, Bing; Lei, Xiao-Wu","Organic cation directed hybrid lead halides of zero-dimensional to two-dimensional structures with tunable photoluminescence properties","Inorganic Chemistry Frontiers","2019","6","10","2709","","10.1039/C9QI00684B","","","0.71073","MoKα","","0.0391","0.034","","","0.0794","0.0816","","","","","","0.974","","","","has coordinates","237979","2020-10-21","18:00:00",""
"4350715","17.237","0.006","22.611","0.008","34.538","0.013","90","","90","","90","","13461","8","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C92 H158 Dy2 Fe2 K2 N4 O15 Si4 -","- C92 H158 Dy2 Fe2 K2 N4 O15 Si4 -","- C368 H632 Dy8 Fe8 K8 N16 O60 Si16 -","4","0.5","","Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.","Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.","Inorganic chemistry","2015","54","5","2374","2382","10.1021/ic5029788","","","0.71073","MoKα","","0.0493","0.0376","","","0.0899","0.0937","","","","","","0.997","","","","has coordinates,has disorder","239994","2020-10-21","18:00:00",""
"4350717","17.257","0.0019","22.701","0.003","34.573","0.004","90","","90","","90","","13544","3","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C120 H214 Er2 Fe2 K2 N4 O22 Si4 -","- C120 H214 Er2 Fe2 K2 N4 O22 Si4 -","- C480 H856 Er8 Fe8 K8 N16 O88 Si16 -","4","0.5","","Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.","Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.","Inorganic chemistry","2015","54","5","2374","2382","10.1021/ic5029788","","","0.71073","MoKα","","0.0373","0.0316","","","0.0723","0.0747","","","","","","1.038","","","","has coordinates,has disorder","239994","2020-10-21","18:00:00",""
"4350821","11.4684","0.0003","12.9539","0.0003","20.1278","0.0005","90","","90","","90","","2990.2","0.13","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","catena-[bis(μ-1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triolato) -tetrakis(aqua)-neodymium(iii) tetrahydrate]","","- C6 H8 N7 Nd O7 -","- C6 H8 N7 Nd O7 -","- C48 H64 N56 Nd8 O56 -","8","1","","Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong","Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions","Inorganic Chemistry Frontiers","2023","10","","1037","1048","10.1039/d2qi02208g","","x-ray","1.54178","CuKα","","0.0452","0.045","","","0.1077","0.108","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","287835","2023-11-28","18:30:03",""
"4500164","5.58","0.0006","9.1055","0.0006","12.018","0.0011","90","","90","","90","","610.62","0.1","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","Dilithium L-tartrate","","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","0.5","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","0.71073","MoKα","","0.0644","0.0462","","","0.1193","0.1337","","","","","","0.916","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500515","6.3985","0.0009","19.848","0.003","21.634","0.003","90","","90","","90","","2747.5","0.7","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H22 Co3 O12 -","- C28 H22 Co3 O12 -","- C112 H88 Co12 O48 -","4","0.5","","Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.","Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels","Crystal Growth & Design","2011","11","7","2824","","10.1021/cg101618n","","","0.71073","MoKα","","0.0225","0.0209","","","0.0506","0.0513","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500763","11.0981","0.0003","11.5988","0.0003","21.6744","0.0006","90","","90","","90","","2790.03","0.13","173","","173","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H29 N5 O8 -","- C28 H29 N5 O8 -","- C112 H116 N20 O32 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.0718","0.0592","","","0.1703","0.183","","","","","","1.039","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4501049","7.6793","0.0007","10.2749","0.001","12.4329","0.0012","90","","90","","90","","981.01","0.16","291","2","291","2","","","","","","","see text","3","C 2 2 21","C 2c 2","20","","(1s,6s)-11,13-dioxatricyclo[4.4.3.01,6]tridecan-12-one","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","0.5","","Mehta, Goverdhan; Sen, Saikat","Interesting Modes of Self-assembly of Achiral 12-Oxo-11,13-dioxa[4.4.3]propellanes in a Noncentrosymmetric Environment","Crystal Growth & Design","2011","11","9","3721","","10.1021/cg200665w","","","0.71073","MoKa","","0.0366","0.0352","","","0.0866","0.0876","","","","","","1.097","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501311","14.64","0.005","20.521","0.005","8.322","0.002","90","","90","","90","","2500.2","1.2","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C22 H24 N6 O10 -","- C22 H24 N6 O10 -","- C88 H96 N24 O40 -","4","0.5","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Acid Inclusion Properties of Helical Self-Assembly of a 5,5′-Biquinoline Derivative","Crystal Growth & Design","2011","11","11","5131","","10.1021/cg201052k","","","0.71073","MoKα","","0.2274","0.1038","","","0.2092","0.245","","","","","","1.274","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501380","12.534","0.002","16.139","0.003","25.294","0.004","90","","90","","90","","5116.6","1.5","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27 H58 N2 O39 U6 -","- C27 H28 N2 O39 U6 -","- C108 H112 N8 O156 U24 -","4","0.5","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.082","0.0522","","","0.1091","0.1216","","","","","","1.025","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501616","5.6058","0.0001","19.5188","0.0001","18.5656","0.0004","90","","90","","90","","2031.42","0.06","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H24 N4 O5 Zn -","- C18 H24 N4 O5 Zn -","- C72 H96 N16 O20 Zn4 -","4","0.5","","Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong","Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties","Crystal Growth & Design","2010","10","7","3051","","10.1021/cg100163g","","","0.71073","MoKα","","0.0464","0.0431","","","0.0953","0.0973","","","","","","1.035","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501617","5.607","0.002","19.511","0.008","18.564","0.008","90","","90","","90","","2030.9","1.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H24 N4 O5 Zn -","- C18 H24 N4 O5 Zn -","- C72 H96 N16 O20 Zn4 -","4","0.5","","Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong","Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties","Crystal Growth & Design","2010","10","7","3051","","10.1021/cg100163g","","","0.71073","MoKα","","0.0256","0.0238","","","0.0476","0.0482","","","","","","1.003","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501981","5.0521","0.0002","11.724","0.0003","20.407","0.0009","90","","90","","90","","1208.72","0.08","233","2","233","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","0.5","","Robin, Abel; Iavicoli, Patrizia; Wurst, Klaus; Dyer, Matthew S.; Haq, Sam; Amabilino, David B.; Raval, Rasmita","A Racemic Conglomerate Nipped in the Bud: A Molecular View of Enantiomer Cross-Inhibition of Conglomerate Nucleation at a Surface","Crystal Growth & Design","2010","10","10","4516","","10.1021/cg100806w","","","0.71073","MoKα","","0.0302","0.0284","","","0.07","0.0715","","","","","","1.121","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4502024","15.62062","0.0001","27.71138","0.00015","22.84956","0.00014","90","","90","","90","","9890.86","0.1","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C46 H70 Cd1.5 N5 O17 Si -","- C28 H16 Cd1.5 O9 Si -","- C224 H128 Cd12 O72 Si8 -","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","","","1.54184","CuKα","","0.0471","0.04","","","0.0757","0.0776","","","","","","0.966","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502914","9.5741","0.0008","11.4403","0.0014","25.674","0.003","90","","90","","90","","2812.1","0.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H22 N2 O11 Zn2 -","- C28 H22 N2 O11 Zn2 -","- C112 H88 N8 O44 Zn8 -","4","0.5","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0611","0.0562","","","0.1348","0.1366","","","","","","1.192","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503053","9.5774","0.0019","16.913","0.003","25.396","0.005","90","","90","","90","","4113.7","1.4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H30 Cd3 Cl N2 O14 -","- C24 H30 Cd3 Cl N2 O14 -","- C96 H120 Cd12 Cl4 N8 O56 -","4","0.5","","Xue, Ming; Zhu, Guangshan; Zhang, Yujian; Fang, Qianrong; Hewitt, Ian J.; Qiu, Shilun","Rational Design and Control of the Dimensions of Channels in a Series of 3D Pillared Metal−Organic Frameworks: Synthesis, Structures, Adsorption, and Luminescence Properties","Crystal Growth & Design","2008","8","2","427","","10.1021/cg0701022","","","0.71073","MoKα","","0.0888","0.0887","","","0.2243","0.2244","","","","","","1.077","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503476","13.359","0.005","13.845","0.005","12.817","0.005","90","","90","","90","","2370.6","1.5","273","2","273","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C9.5 H9.5 Li2 N0.5 O5.5 -","- C9.5 H7.5 Li2 N0.5 O5.5 -","- C76 H60 Li16 N4 O44 -","8","1","","Liu, Ying-Ya; Zhang, Jian; Xu, Fen; Sun, Li-Xian; Zhang, Tao; You, Wan-Sheng; Zhao, Yi; Zeng, Julan; Cao, Zhong; Yang, Daowu","Lithium-Based 3D Coordination Polymer with Hydrophilic Structure for Sensing of Solvent Molecules","Crystal Growth & Design","2008","8","9","3127","","10.1021/cg701173x","","","0.71073","MoKα","","0.0818","0.076","","","0.2184","0.2261","","","","","","1.135","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504185","10.5023","0.0005","13.0806","0.0007","31.097","0.0016","90","","90","","90","","4272","0.4","150","","150","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C20 H20 Cu F4 N4 O V -","- C20 H20 Cu F4 N4 O V -","- C160 H160 Cu8 F32 N32 O8 V8 -","8","1","","Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.; Norquist, Alexander J.","Effects of Reaction Gel Dehydration on the Synthesis of Cu(NC5H5)4VOF4and [Cu(NC5H5)4VOF4][Cu(NC5H5)4(H2O)VOF4]·H2O","Crystal Growth & Design","2007","7","5","956","","10.1021/cg0609062","","","0.71073","MoKα","","0.0422","0.0279","","0.0779","0.0673","0.0673","","","","","","0.8833","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504371","7.553","0.0007","8.8704","0.0009","10.5761","0.001","90","","90","","90","","708.58","0.12","273","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C4 H6 Mg O7 -","- C4 H6 Mg O7 -","- C16 H24 Mg4 O28 -","4","0.5","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.033","0.0315","","","0.082","0.0834","","","","","","1.084","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504450","8.7094","0.0007","13.8869","0.0013","19.5034","0.0017","90","","90","","90","","2358.9","0.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C20 H16 Mn N4 S6 -","- C20 H16 Mn N4 S6 -","- C80 H64 Mn4 N16 S24 -","4","0.5","","Fu, Ming-Lai; Guo, Guo-Cong; Liu, Xi; Zou, Jian-Ping; Xu, Gang; Huang, Jin-Shun","[Mn(2,2′-bipy)2S6]n: A Homochiral Hybrid of Manganese Polysulfido Compound with a One-Dimensional Mn-S6-Mn Helical Chain","Crystal Growth & Design","2007","7","12","2387","","10.1021/cg070637v","","","0.71073","MoKα","","0.0573","0.047","","","0.1282","0.1381","","","","","","0.912","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4507251","14.737","0.003","16.423","0.004","16.618","0.004","90","","90","","90","","4022","1.6","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H8 Eu N0 O9 -","- C17 H8 Eu O9 -","- C136 H64 Eu8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0471","0.0471","","","0.1199","0.1199","","","","","","1.132","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507252","14.6641","0.001","16.3979","0.0008","16.5888","0.0008","90","","90","","90","","3989","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H8 Gd O9 -","- C17 H8 Gd O9 -","- C136 H64 Gd8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0455","0.0394","","","0.0933","0.0954","","","","","","1.11","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507253","14.748","0.003","16.301","0.004","16.572","0.004","90","","90","","90","","3984","1.6","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H8 N0 O9 Tb -","- C17 H8 O9 Tb -","- C136 H64 O72 Tb8 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.05","0.0488","","","0.1222","0.1232","","","","","","1.081","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507254","14.7885","0.001","16.1587","0.0008","16.5084","0.0008","90","","90","","90","","3944.9","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H8 Dy O9 -","- C17 H8 Dy O9 -","- C136 H64 Dy8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0408","0.0378","","","0.0853","0.0866","","","","","","1.151","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507255","14.8769","0.0015","16.0349","0.0013","16.5271","0.0013","90","","90","","90","","3942.5","0.6","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H0 Ho O9 -","- C17 H8 Ho O9 -","- C136 H64 Ho8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.1138","0.0981","","","0.2368","0.2447","","","","","","1.111","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4508198","22.635","0.005","38.582","0.01","28.317","0.003","90","","90","","90","","24729","9","100","2","100","2","","","","","","","synthesis as described","5","C 2 2 21","C 2c 2","20","DM74","","","- C92 H141 F3 N18 O31 -","- C92 H141 F3 N18 O31 -","- C736 H1128 F24 N144 O248 -","8","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","0.9537","synchrotron","","0.1583","0.1498","","","0.3933","0.4063","","","","","","2.187","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508596","10.13","0.0006","19.4772","0.0012","13.3539","0.0008","90","","90","","90","","2634.8","0.3","120","2","120","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H42 N4 Ni O5 -","- C26 H34 N4 Ni O5 -","- C104 H136 N16 Ni4 O20 -","4","0.5","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0491","0.041","","","0.0962","0.0984","","","","","","1.109","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4510181","10.5388","0.0008","19.9776","0.0018","19.07","0.0014","90","","90","","90","","4015","0.6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C19 H19 N2 Ni O7 -","- C19 H17 N2 Ni O7 -","- C152 H136 N16 Ni8 O56 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0587","0.0454","","","0.1131","0.1202","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510231","20.383","0.004","22.674","0.005","23.215","0.005","90","","90","","90","","10729","4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C32 H30 Co3 N6 O15 -","- C26 H16 Co3 N4 O13 -","- C208 H128 Co24 N32 O104 -","8","1","","Wang, Jing; Luo, Jiahuan; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two Flexible Metal‒Organic Frameworks with Stepwise Gas Adsorption and Highly Selective CO2Adsorption","Crystal Growth & Design","2014","14","5","2375","","10.1021/cg500091k","","","0.71073","MoKα","","0.0937","0.0767","","","0.1943","0.2062","","","","","","1.069","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510553","4.5443","0.0005","12.2026","0.0015","27.359","0.004","90","","90","","90","","1517.1","0.3","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","1,5-bis(salicylidene)carbohydrazide monohydrate","","- C15 H16 N4 O4 -","- C15 H16 N4 O4 -","- C60 H64 N16 O16 -","4","0.5","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.091","0.0514","","","0.1136","0.1292","","","","","","1.081","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4511161","15.132","0.0009","22.9477","0.0013","15.477","0.0009","90","","90","","90","","5374.3","0.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C45 H69 Cu N13 O15 -","- C43 H44 Cu N10 O9 -","- C172 H176 Cu4 N40 O36 -","4","0.5","","Rajput, Lalit; Biradha, Kumar","Reliable Formation of an Unusual and Chiral Two-Dimensional Network Containing Entanglement of the Ligand in the Presence of Different Anions","Crystal Growth & Design","2009","9","9","3848","","10.1021/cg900570m","","","0.71073","MoKα","","0.1215","0.0818","","","0.2181","0.249","","","","","","0.948","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4512639","6.7668","0.0001","18.7189","0.0003","8.5717","0.0006","90","","90","","90","","1085.75","0.08","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Sm -","- C5 H9 N2 O8 Sm -","- C20 H36 N8 O32 Sm4 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71075","MoKα","","0.0396","0.0323","","","0.0598","0.0726","","","","","","1.159","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512640","6.6667","0.0009","18.408","0.003","8.4468","0.0011","90","","90","","90","","1036.6","0.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Ho N2 O8 -","- C5 H9 Ho N2 O8 -","- C20 H36 Ho4 N8 O32 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0237","0.0236","","","0.0596","0.0597","","","","","","1.161","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512641","6.6375","0.0004","18.2953","0.001","8.4058","0.0005","90","","90","","90","","1020.76","0.1","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Tm -","- C5 H9 N2 O8 Tm -","- C20 H36 N8 O32 Tm4 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0206","0.0204","","","0.0494","0.0495","","","","","","1.203","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512642","6.6174","0.0009","18.2","0.003","8.3777","0.0012","90","","90","","90","","1009","0.3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Lu N2 O8 -","- C5 H9 Lu N2 O8 -","- C20 H36 Lu4 N8 O32 -","4","0.5","","Samarasekere, Pradeep; Wang, Xiqu; Kaveevivitchai, Watchareeya; Jacobson, Allan J.","Reactions of Rare Earth Hydrated Nitrates and Oxides with Formamide: Relevant to Recycling Rare Earth Metals","Crystal Growth & Design","2015","15","3","1119","","10.1021/cg501421u","","","0.71073","MoKα","","0.0334","0.0332","","","0.0873","0.0875","","","","","","1.143","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4513756","5.80768","0.00018","20.9642","0.0005","7.68611","0.00019","90","","90","","90","","935.81","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C12 H5 F5 -","- C12 H5 F5 -","- C48 H20 F20 -","4","0.5","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0235","0.0234","","","0.0676","0.0676","","","","","","1.116","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4514313","14.0588","0.0007","27.7078","0.0013","21.3914","0.001","90","","90","","90","","8332.8","0.7","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C46 H58 N4 Pt -","- C46 H58 N4 Pt -","- C368 H464 N32 Pt8 -","8","1","","Bullock, James D.; Salehi, Amin; Zeman, 4th, Charles J; Abboud, Khalil A.; So, Franky; Schanze, Kirk S.","In Search of Deeper Blues: Trans-N-Heterocyclic Carbene Platinum Phenylacetylide as a Dopant for Phosphorescent OLEDs.","ACS applied materials & interfaces","2017","9","47","41111","41114","10.1021/acsami.7b12107","","","0.71073","MoKα","","0.0304","0.0268","","","0.0665","0.0674","","","","","","1.085","","","","has coordinates,has disorder","203925","2020-10-21","18:00:00",""
"4514475","20.538","0.01","29.027","0.013","34.825","0.015","90","","90","","90","","20761","16","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C84 H57 Mn6 N6 O41 P6 -","- C84 H57 Mn6 N6 O41 P6 -","- C336 H228 Mn24 N24 O164 P24 -","4","0.5","","Li, Bao; Chen, Xi; Hu, Peng; Kirchon, Angelo; Zhao, Yu-Meng; Pang, Jiandong; Zhang, Tianle; Zhou, Hong-Cai","Facile Fabrication of a Multifunctional Metal-Organic Framework-based Sensor Exhibiting Exclusive Solvochromic Behaviors toward Ketone Molecules.","ACS applied materials & interfaces","2019","11","8","8227","8233","10.1021/acsami.8b19815","","","0.71073","MoKα","","0.1174","0.0933","","","0.2452","0.2677","","","","","","1.018","","","","has coordinates","219664","2020-10-21","18:00:00",""
"4514476","21.0921","0.0011","28.4208","0.0008","34.8069","0.0008","90","","90","","90","","20865.1","1.3","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C92 H66 Mn6 N6 O43 P6 -","- C92 H66 Mn6 N6 O43 P6 -","- C368 H264 Mn24 N24 O172 P24 -","4","0.5","","Li, Bao; Chen, Xi; Hu, Peng; Kirchon, Angelo; Zhao, Yu-Meng; Pang, Jiandong; Zhang, Tianle; Zhou, Hong-Cai","Facile Fabrication of a Multifunctional Metal-Organic Framework-based Sensor Exhibiting Exclusive Solvochromic Behaviors toward Ketone Molecules.","ACS applied materials & interfaces","2019","11","8","8227","8233","10.1021/acsami.8b19815","","","1.54178","CuKα","","0.1215","0.0722","","","0.1828","0.2024","","","","","","0.837","","","","has coordinates","219664","2020-10-21","18:00:00",""
"4515765","10.4443","0.0003","14.5326","0.0004","38.8497","0.001","90","","90","","90","","5896.7","0.3","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H31 N5 O7 -","- C30 H31 N5 O7 -","- C240 H248 N40 O56 -","8","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","1.54178","CuKα","","0.045","0.0433","","","0.1034","0.1047","","","","","","1.071","","","","has coordinates","225890","2020-10-21","18:00:00",""
"4516657","20.7051","0.0006","24.9288","0.0008","63.4039","0.0016","90","","90","","90","","32726.1","1.6","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C91 H46 N2 O38 Zr6 -","- C91 H46 N2 O38 Zr6 -","- C728 H368 N16 O304 Zr48 -","8","1","","Chen, Yongwei; Zhang, Xuan; Ma, Kaikai; Chen, Zhijie; Wang, Xingjie; Knapp, Julia; Alayoglu, Selim; Wang, Fenfen; Xia, Qibin; Li, Zhong; Islamoglu, Timur; Farha, Omar K.","Zirconium-Based Metal‒Organic Framework with 9-Connected Nodes for Ammonia Capture","ACS Applied Nano Materials","2019","2","10","6098","","10.1021/acsanm.9b01534","","x-ray","1.54178","CuKα","","0.0303","0.0294","","","0.0735","0.0739","","","","","","1.05","","","","has coordinates,has disorder","239434","2020-10-21","18:00:00",""
"4516730","13.08003","0.00013","23.3536","0.0003","26.5956","0.0003","90","","90","","90","","8124.05","0.16","123.01","0.1","123.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38.5 H40 F9 N6.5 O2.5 S -","- C38.5 H40 F9 N6.5 O2.5 S -","- C308 H320 F72 N52 O20 S8 -","8","1","","Neuvonen, Antti J.; Földes, Tamás; Madarász, Ádám; Pápai, Imre; Pihko, Petri M.","Organocatalysts Fold To Generate an Active Site Pocket for the Mannich Reaction","ACS Catalysis","2017","7","5","3284","","10.1021/acscatal.7b00336","","x-ray","1.54184","CuKα","","0.0396","0.0384","","","0.106","0.1074","","","","","","1.058","","","","has coordinates,has disorder","239492","2020-10-21","18:00:00",""
"4518637","10.3954","0.0001","15.042","0.0002","16.9395","0.0003","90","","90","","90","","2648.79","0.06","100","0.1","100","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Alwaseem, Hanan; Giovani, Simone; Crotti, Michele; Welle, Kevin; Jordan, Craig T.; Ghaemmaghami, Sina; Fasan, Rudi","Comprehensive Structure‒Activity Profiling of Micheliolide and its Targeted Proteome in Leukemia Cells via Probe-Guided Late-Stage C‒H Functionalization","ACS Central Science","2021","","","","","10.1021/acscentsci.0c01624","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.0784","0.079","","","","","","1.073","","","","has coordinates,has disorder","264699","2021-04-29","21:30:22",""
"4519135","20.055","0.0008","12.6443","0.0005","52.3185","0.0019","90","","90","","90","","13267","0.9","190","2","190","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C72 N2 O6 S2 -","- C72 N2 O6 S2 -","- C576 N16 O48 S16 -","8","1","","Liu, Ting-Ting; Yan, Zhi-Ping; Hu, Jia-Jun; Yuan, Li; Luo, Xu-Feng; Tu, Zhen-Long; Zheng, You-Xuan","Chiral Thermally Activated Delayed Fluorescence Emitters-Based Efficient Circularly Polarized Organic Light-Emitting Diodes Featuring Low Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","47","56413","56419","10.1021/acsami.1c16223","","","1.34139","GaKα","","0.128","0.0817","","","0.225","0.257","","","","","","1.047","","","","has coordinates","271016","2021-12-03","20:07:52",""
"4519136","12.66","0.003","20.017","0.004","52.343","0.01","90","","90","","90","","13265","5","190","2","190","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C21.5 H21.5 N21.5 O21.5 S21.5 -","- C72 H71.088 N2 O6 S2 -","- C576 H568.704 N16 O48 S16 -","8","1","","Liu, Ting-Ting; Yan, Zhi-Ping; Hu, Jia-Jun; Yuan, Li; Luo, Xu-Feng; Tu, Zhen-Long; Zheng, You-Xuan","Chiral Thermally Activated Delayed Fluorescence Emitters-Based Efficient Circularly Polarized Organic Light-Emitting Diodes Featuring Low Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","47","56413","56419","10.1021/acsami.1c16223","","","1.34139","GaKα","","0.0969","0.0534","","","0.1298","0.1476","","","","","","1.004","","","","has coordinates,has disorder","271017","2021-12-03","20:08:41",""
"4519281","18.194","0.0011","18.5228","0.0011","9.8042","0.0008","90","","90","","90","","3304.1","0.4","299","2","299","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Cd4 Ga3 Rb S9 -","- Cd4 Ga3 Rb S9 -","- Cd32 Ga24 Rb8 S72 -","8","1","","Yang, Long-Qi; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Liu, Bin-Wen; Guo, Guo-Cong","Optimizing the Nonlinear Optical Performance of an A-N-M-Q (A: Alkali Metal; N: <i>d</i><sup>10</sup> Metal; M: Main Group Metal; Q: Chalcogen) System.","ACS applied materials & interfaces","2022","14","3","4352","4359","10.1021/acsami.1c23843","","","0.71073","MoKα","","0.0312","0.03","","","0.0763","0.0767","","","","","","1.087","","","","has coordinates","272451","2022-02-03","20:07:27",""
"5910199","6.967","","6.967","","6.866","","90","","90","","90","","333.269","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Ga O4 P -","- Ga16 O72 P16 -","- Ga16 O72 P16 -","","","","Wyckoff, R. W. G.","Pages 19, 20 & 22 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","19","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7001602","14.7181","0.001","7.8403","0.0006","12.0571","0.0008","90","","90","","90","","1391.32","0.17","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C13 H16 Cl N3 Pd -","- C13 H16 Cl N3 Pd -","- C52 H64 Cl4 N12 Pd4 -","4","0.5","","Cao, Lingyun; Jennings, Michael C.; Puddephatt, Richard J.","A dipalladium complex with a single hydroxo bridge and its methylpalladium precursor","Dalton Transactions","2009","","26","5171","5176","10.1039/b906038c","","","0.71073","MoKα","","0.0269","0.0261","","","0.0633","0.0637","","","","","","1.16","","","","has coordinates,has disorder","179714","2020-10-21","18:00:00",""
"7004080","13.888","0.003","21.473","0.004","48.571","0.01","90","","90","","90","","14485","5","90","2","90","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- H36 K12 O140 P4 Ti2 W34 -","- K12 O140 P4 Ti2 W34 -","- K48 O560 P16 Ti8 W136 -","4","0.5","","Yoshida, Shoko; Murakami, Hideyuki; Sakai, Yoshitaka; Nomiya, Kenji","Syntheses, molecular structures and pH-dependent monomer‒dimer equilibria of Dawson α2-monotitanium(iv)-substituted polyoxometalates","Dalton Transactions","2008","","34","4630","","10.1039/b802410c","","","0.71073","MoKα","","0.0707","0.0574","","","0.1392","0.1529","","","","","","1.094","","","","has coordinates","179744","2020-10-21","18:00:00",""
"7004205","15.9435","0.0002","16.2883","0.0002","14.6276","0.0002","90","","90","","90","","3798.68","0.08","298","2","298","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H36 Ag4 Cl4 N12 S6 -","- C18 H36 Ag4 Cl4 N12 S6 -","- C72 H144 Ag16 Cl16 N48 S24 -","4","0.5","","Bowmaker, Graham A.; Chaichit, Narongsak; Pakawatchai, Chaveng; Skelton, Brian W.; White, Allan H.","Solvent-assisted mechanochemical synthesis of metal complexes","Dalton Transactions","2008","","22","2926","2928","10.1039/b804229m","","","0.71073","MoKα","","0.0384","0.0361","","","0.0908","0.0921","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004663","11.7749","0.0003","21.4146","0.0005","20.1672","0.0004","90","","90","","90","","5085.3","0.2","150","","150","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C16 H48 Ag2 I5 O8 S8 Y -","- C16 H48 Ag2 I5 O8 S8 Y -","- C64 H192 Ag8 I20 O32 S32 Y4 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Daniele, Stéphane; Ledoux, Gilles","Reactions of metal iodides as a simple route to heterometallics: synthesis, structural transformations, thermal and luminescent properties of novel hybrid iodoargentate derivatives templated by [YL8]3+ or [YL7]3+ cations (L = DMF or DMSO)","Dalton Transactions","2008","","44","6296","6304","10.1039/B809964B","","","0.71069","MoKα","","0.099","0.0862","","0.1129","0.098","0.0954","","","","","","1.0573","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004991","19.1066","0.0012","23.3433","0.001","23.6269","0.0017","90","","90","","90","","10537.9","1.1","200","","","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C90 H122 Cl4 Co4 N16 O33 -","- C90 H109 Cl4 Co4 N16 O33 -","- C360 H436 Cl16 Co16 N64 O132 -","4","0.5","","Isele, Katharina; Gigon, Fabienne; Williams, Alan F.; Bernardinelli, Gérald; Franz, Patrick; Decurtins, Silvio","Synthesis, structure and properties of {M4O4} cubanes containing nickel(II) and cobalt(II).","Dalton transactions (Cambridge, England : 2003)","2007","","3","332","341","10.1039/b614424a","","","0.71073","MoKα","","","0.037","","","","0.037","","","","","","1.51","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7005305","13.5144","0.0005","27.3551","0.0012","22.2181","0.001","90","","90","","90","","8213.8","0.6","83","2","83","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H80 Cu2 F12 N8 P2 -","- C96 H80 Cu2 F12 N8 P2 -","- C384 H320 Cu8 F48 N32 P8 -","4","0.5","","Price, Jason R.; Lan, Yanhua; Brooker, Sally","Pyridazine-bridged copper(I) complexes of bis-bidentate ligands: tetranuclear [2 x 2] grid versus dinuclear side-by-side architectures as a function of ligand substituents.","Dalton transactions (Cambridge, England : 2003)","2007","","18","1807","1820","10.1039/B700503B","","","0.71073","MoKα","","0.1349","0.0533","","","0.0814","0.1044","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7005837","7.2681","0.0019","20.816","0.005","23.403","0.006","90","","90","","90","","3540.7","1.6","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H42 Cl Eu N8 O14 -","- C28 H42 Cl Eu N8 O14 -","- C112 H168 Cl4 Eu4 N32 O56 -","4","0.5","","Puntus, Lada; Zhuravlev, Konstantin; Lyssenko, Konstantin; Antipin, Mikhail; Pekareva, Irina","Luminescence and structural properties of lanthanide complexes of Schiff bases derived from pyridoxal and amino acids.","Dalton transactions (Cambridge, England : 2003)","2007","","36","4079","4088","10.1039/B706020C","","","0.71073","MoKα","","0.1","0.0626","","","0.1148","0.1286","","","","","","1.041","","","","has coordinates","179762","2020-10-21","18:00:00",""
"7006214","16.702","0.013","17.316","0.013","18.926","0.014","90","","90","","90","","5474","7","293","2","298","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C46 H88 N5 O2 Si2 Sm -","- C46 H88 N5 O2 Si2 Sm -","- C184 H352 N20 O8 Si8 Sm4 -","4","0.5","","Binda, Pascal I.; Delbridge, Ewan E.","Synthesis and characterisation of lanthanide phenolate compounds and their catalytic activity towards ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2007","","41","4685","4692","10.1039/b710070a","","x-ray","0.71073","MoKα","","0.0389","0.0321","","","0.05","0.0514","","","","","","1.374","","","","has coordinates","179766","2020-10-21","18:00:00",""
"7006254","9.75","0.0019","20.124","0.006","11.594","0.002","90","","90","","90","","2274.8","0.9","158","2","158","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H30.5 Cd Cl2 N2 O14.25 -","- C12 H26 Cd Cl2 N2 O14.25 -","- C48 H104 Cd4 Cl8 N8 O57 -","4","0.5","","Janzen, Daron E.; Botros, Maikel E.; VanDerveer, Donald G.; Grant, Gregory J.","Fixation of atmospheric carbon dioxide by a cadmium(ii) macrocyclic complex","Dalton Transactions","2007","","45","5316","","10.1039/b711187h","","","0.71073","MoKα","","0.0597","0.053","","","0.1346","0.1428","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007142","13.05","0.006","14.647","0.007","14.025","0.006","90","","90","","90","","2681","2","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C H Cu N4 -","- C H Cu N4 -","- C32 H32 Cu32 N128 -","32","4","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.1096","0.0756","","","0.1743","0.2006","","","","","","1.028","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007144","10.3192","0.0005","24.9328","0.0007","15.1064","0.0012","90","","90","","90","","3886.7","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C4 H7 Ag N4 -","- C4 H7 Ag N4 -","- C96 H168 Ag24 N96 -","24","3","","Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng","Syntheses and structures of metal tetrazole coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3170","3178","10.1039/b518052j","","","0.71073","MoKα","","0.0388","0.0352","","","0.0865","0.0883","","","","","","1.047","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007522","18.6113","0.0008","32.2357","0.0008","38.176","0.002","90","","90","","90","","22903.6","1.7","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C171 H189 Cl4 Cu2 N9 O36 -","- C177 H140 Cl4 Cu2 N10.5 O38.5 -","- C708 H560 Cl16 Cu8 N42 O154 -","4","0.5","","Wu, Chuan-De; Lin, Wenbin","Homochiral porous solids based on 1D coordination polymers built from 46-membered macrocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4563","4569","10.1039/b606817k","","","0.71073","MoKα","","0.2149","0.1435","","","0.278","0.3087","","","","","","1.051","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7010161","15.905","0.002","14.2539","0.0015","18.458","0.003","90","","90","","90","","4184.6","1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C14 H32 Fe N5 S3 -","- C14 H32 Fe N5 S3 -","- C112 H256 Fe8 N40 S24 -","8","1","","Davies, Sian C.; Durrant, Marcus C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Iron, cobalt and vanadium complexes of the N(CH2CH2S)33− ligand with chloride, azide, cyanide and carbonyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","24","4694","","10.1039/b006591i","","","0.71069","Mo-Kα","","0.0713","0.0473","","0.1275","0.107","","","","1.057","1.143","1.143","","","","","has coordinates,has disorder","179805","2020-10-21","18:00:00",""
"7010669","10.707","0.002","12.477","0.002","20.805","0.004","90","","90","","90","","2779.4","0.9","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C5 H24 B9 N3 -","- C5 H24 B9 N3 -","- C40 H192 B72 N24 -","8","1","","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M.","The synthesis of closo- and nido-(aminoalkyl)dicarbaboranes: a re-examination of contradictory literature reports, crystal structure of [7-{H3N(CH2)3}-7,8-C2B9H11]·NH2NH2†","Journal of the Chemical Society, Dalton Transactions","2001","","12","1820","","10.1039/b102009i","","","0.71073","MoKα","","0.0546","0.0446","","","0.1083","0.1148","","","","","","1.078","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011504","7.4245","0.0009","8.019","0.002","21.537","0.005","90","","90","","90","","1282.2","0.5","296.2","","296.2","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C4 H7 Ag N2 O3 -","- C4 H7 Ag N2 O3 -","- C32 H56 Ag8 N16 O24 -","8","1","","Nomiya, Kenji; Yokoyama, Hironari","Syntheses, crystal structures and antimicrobial activities of polymeric silver(I) complexes with three amino-acids [aspartic acid (H2asp), glycine (Hgly) and asparagine (Hasn)]","Journal of the Chemical Society, Dalton Transactions","2002","","12","2483","2490","10.1039/b200684g","","","0.7107","MoKα","","0.0226","0.023","","0.024","","0.024","","","1.165","","","1.16","","","","has coordinates","275156","2022-05-06","23:22:19",""
"7011505","7.422","0.002","8.011","0.003","21.526","0.003","90","","90","","90","","1279.9","0.6","296.2","","296.2","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C4 H7 Ag N2 O3 -","- C4 H7 Ag N2 O3 -","- C32 H56 Ag8 N16 O24 -","8","1","","Nomiya, Kenji; Yokoyama, Hironari","Syntheses, crystal structures and antimicrobial activities of polymeric silver(i) complexes with three amino-acids [aspartic acid (H2asp), glycine (Hgly) and asparagine (Hasn)]Note: For ease of reference during discussion of their anions, H2asp, Hgly and Hasn have been used as the abbreviations for the neutral amino-acids, rather than the conventional Asp, Gly and Asn, respectively.","Journal of the Chemical Society, Dalton Transactions","2002","","12","2483","","10.1039/b200684g","","","0.7107","MoKα","","0.0171","0.017","","0.028","","0.028","","","1.191","","","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011712","17.1566","0.0008","20.6583","0.0009","24.1454","0.0015","90","","90","","90","","8557.8","0.8","200","","","","","","","","","","","6","C 2 2 21","C 2c 2","20","","Bis-[bis[(R,R)-1,2-bis(1methyl-benzimidazol-2-yl)-1,2-ethanediol] nickel(II) diperchlorate","","- C78 H88 Cl2 N16 Ni2 O19 -","- C78 H66 Cl2 N16 Ni2 O19 -","- C312 H264 Cl8 N64 Ni8 O76 -","4","0.5","","Katharina Isele; Vanessa Broughton; Craig J. Matthews; Alan F. Williams; Gérald Bernardinelli; Patrick Franz; Silvio Decurtins","1,2-Bis(2-benzimidazolyl)-1,2-ethanediol, a chiral, tridentate, facially coordinating ligand","J. Chem. Soc., Dalton Trans.","2002","","20","3899","3905","10.1039/b203229e","","","0.71073","MoKα","","","0.047","","","","0.051","","","","","","1.958","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012180","15.127","","22.9762","","25.561","","90","","90","","90","","8884.01","","273.2","","273.2","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38 H42 Cl2 N8 O8.5 Ru -","- C38 H42 Cl1.75 N8 O7.2 Ru -","- C304 H336 Cl14 N64 O57.6 Ru8 -","8","1","","Aldrich-Wright, Janice R.; Fenton, Ronald F.; Greguric, Ivan D.; Hambley, Trevor W.; Williams, Peter A.","The stereospecific synthesis of Λ-α-{dipyrido[3,2-a:2'3'-c](6,7,8,9-tetrahydro)phenazine[N,N'-di(2-picolyl)-2,5-dimethyl-2S,5S-diaminocyclohexane]ruthenium(ii)} and related β-isomers","Journal of the Chemical Society, Dalton Transactions","2002","","24","4666","","10.1039/b208369h","","","0.7107","MoKα","","0.06","0.06","","0.0586","0.0586","","","","2.839","2.839","2.839","","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7012666","11.4866","0.0002","20.5325","0.0004","26.7517","0.0005","90","","90","","90","","6309.4","0.2","173","","173","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C72 H79 N4 O2 Si2 Ta -","- C72 H79 N4 O2 Si2 Ta -","- C288 H316 N16 O8 Si8 Ta4 -","4","0.5","","Ru Son, Au Ji; Schweiger, Scott W.; Thorn, Matthew G.; Moses, John E.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of tantalum dimethylamides containing resolved 3,3'-disubstituted-1,1'-bi-2,2'-naphthoxide ligandsElectronic supplementary information (ESI) available: ORTEP views of (R)-7, (R,S)-8, (S)-9 and (S)-12. See http://www.rsc.org/suppdata/dt/b2/b212910h/","Dalton Transactions","2003","","8","1620","","10.1039/b212910h","","","0.71073","MO-Kα","","","0.04","","","","0.073","","","","","","1.042","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7013185","12.155","0.003","19.51","0.005","15.766","0.003","90","","90","","90","","3738.8","1.5","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C28 H46 N8 O2 P2 Pt S2 -","- C28 H42 N8 O2 P2 Pt S2 -","- C112 H168 N32 O8 P8 Pt4 S8 -","4","0.5","","Kim, Yong-Joo; Han, Jin-Taek; Kang, Seok; Han, Won Seok; Lee, Soon W.","Reactivity of di(azido)bis(phosphine) complexes of Ni(ii), Pd(ii) and Pt(ii) toward organic isothiocyanates: synthesis, structures, and properties of bis(tetrazole-thiolato) and bis(isothiocyanato) complexes","Dalton Transactions","2003","","17","3357","","10.1039/b305341p","","","0.71073","MoKα","","0.0424","0.0378","","","0.0963","0.0995","","","","","","1.097","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7013963","9.676","0.004","16.62","0.008","17.173","0.003","90","","90","","90","","2761.7","1.8","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H48 Mg O Si4 -","- C18 H48 Mg O Si4 -","- C72 H192 Mg4 O4 Si16 -","4","0.5","","Avent, Anthony G.; Caro, Catherine F.; Hitchcock, Peter B.; Lappert, Michael F.; Li, Zhengning; Wei, Xue-Hong","Synthetic and structural experiments on yttrium, cerium and magnesium trimethylsilylmethyls and their reaction products with nitriles; with a note on two cerium beta-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2004","","10","1567","1577","10.1039/b316695n","","","0.71073","MoKα","","0.0383","0.0347","","","0.0889","0.0904","","","","","","1.076","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7014072","19.1591","0.001","19.8041","0.001","44.318","0.002","90","","90","","90","","16815.5","1.4","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C82 H112 Cl2 Li4 N8 O8.5 P2 -","- C82 H112 Cl2 Li4 N8 O8.5 P2 -","- C656 H896 Cl16 Li32 N64 O68 P16 -","8","1","","Bickley, Jamie F.; Copsey, May C.; Jeffery, John C.; Leedham, Angela P.; Russell, Christopher A.; Stalke, Dietmar; Steiner, Alexander; Stey, Thomas; Zacchini, Stefano","From the tetra(amino) phosphonium cation, [P(NHPh)4]+, to the tetra(imino) phosphate trianion, [P(NPh)4]3-, two-faced ligands that bind anions and cations.","Dalton transactions (Cambridge, England : 2003)","2004","","7","989","995","10.1039/b400798k","","","0.71073","MoKα","","0.0713","0.0522","","","0.124","0.1318","","","","","","0.948","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014186","9.8516","0.0001","12.4681","0.0002","30.3821","0.0004","90","","90","","90","","3731.86","0.09","143","2","143","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C9 H21 Au I4 P -","- C9 H21 Au I4 P -","- C72 H168 Au8 I32 P8 -","8","1","","Schneider, Daniel; Schier, Annette; Schmidbaur, Hubert","Governing the oxidative addition of iodine to gold(I) complexes by ligand tuning.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1995","2005","10.1039/b403005b","","","0.71073","MoKα","","0.0157","0.0156","","","0.0446","0.0446","","","","","","1.074","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014777","10.8012","0.0019","19.746","0.004","15.23","0.003","90","","90","","90","","3248.3","1.1","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","[CNC-i-Pr]PdI (7a)","","","- C36 H38 I N5 Pd -","- C24 H26 I N5 Pd -","- C96 H104 I4 N20 Pd4 -","4","0.5","","Cross, Warren B.; Daly, Christopher G.; Ackerman, Rachel L.; George, Ian R.; Singh, Kuldip","N-heterocyclic carbene tethered amido complexes of palladium and platinum.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","495","505","10.1039/c0dt01149e","","","0.71073","MoKα","","0.0277","0.026","","","0.0661","0.0667","","","","","","1.064","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014887","10.3033","0.0007","16.6104","0.0011","75.385","0.005","90","","90","","90","","12901.5","1.5","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H34 N4 O4 Zn -","- C38 H34 N4 O4 Zn -","- C608 H544 N64 O64 Zn16 -","16","2","","Le Roux, Erwan; Merle, Nicolas; Törnroos, Karl W","Synthesis and characterisation of trigonal C(2)-chiral di- and tetra-substituted bis(oxazoline) alkyl zinc complexes and their reactivity towards protic reagents.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1768","1777","10.1039/c0dt01252a","","","0.71073","MoKα","","0.0679","0.0673","","","0.1484","0.1487","","","","","","1.29","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7015124","13.423","0.003","28.041","0.006","30.947","0.006","90","","90","","90","","11648","4","123","2","123","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C60 H148 Cu6 Mo3 N42 O23 -","- C60 H102 Cu6 Mo3 N42 O23 -","- C240 H408 Cu24 Mo12 N168 O92 -","4","0.5","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","Synthesis, characterization, and photoresponsive properties of a series of Mo(IV)-Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2735","2743","10.1039/c0dt01213k","","","0.71073","MoKα","","0.0492","0.0457","","","0.1128","0.1157","","","","","","1.082","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015846","15.3154","0.0006","22.8884","0.0006","25.7786","0.0008","90","","90","","90","","9036.6","0.5","100","2","100","2","","","","","","","Ross Inglis","6","C 2 2 21","C 2c 2","20","","","","- C78 H105 La2 Mn6 N6 O27 -","- C78 H105 La2 Mn6 N6 O27 -","- C312 H420 La8 Mn24 N24 O108 -","4","0.5","","Rigaux, Guillaume; Inglis, Ross; Morrison, Susan; Prescimone, Alessandro; Cadiou, Cyril; Evangelisti, Marco; Brechin, Euan K.","Enhancing U(eff) in oxime-bridged [Mn(III)6Ln(III)2] hexagonal prisms.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4797","4799","10.1039/c1dt10154d","","","0.71073","MoKα","","0.0241","0.0223","","","0.0567","0.0578","","","","","","1.068","","","","has coordinates,has disorder","179862","2020-10-21","18:00:00",""
"7016380","15.1839","0.0005","15.9875","0.0006","22.2064","0.0007","90","","90","","90","","5390.7","0.3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C62 H61 Cl O7 P2 Pd -","- C62 H61 Cl O7 P2 Pd -","- C248 H244 Cl4 O28 P8 Pd4 -","4","0.5","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","0.71073","MoKα","","0.0286","0.025","","","0.0584","0.0601","","","","","","1.031","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7017455","24.4376","0.0003","29.2923","0.0003","25.2535","0.0003","90","","90","","90","","18077.3","0.4","173.15","","173.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C165.8 H168.6 Cl21 Mn4 N16 O36 -","- C165.8 H163.6 Cl21 Mn4 N16 O36 -","- C663.2 H654.4 Cl84 Mn16 N64 O144 -","4","0.5","","Sham, Kiu-Chor; Zheng, Guoli; Li, Yinyan; Yiu, Shek-Man; Kwong, Hoi-Lun","Metallo-macrocycles with labile coordination sites through self assembly: Binuclear phenyl bridged bisbipyridine manganese complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12060","12062","10.1039/c1dt11589h","","","1.5418","CuKα","","0.1141","0.0944","","","0.2577","0.2717","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018448","18.061","0.004","31.309","0.006","15.114","0.003","90","","90","","90","","8547","3","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C42 H34 Cd2 N8 O12 -","- C42 H30 Cd2 N8 O12 -","- C336 H240 Cd16 N64 O96 -","8","1","","Zhang, Xiao-Feng; Song, Wei-Chao; Yang, Qian; Bu, Xian-He","Zn(ii) and Cd(ii) coordination polymers assembled by di(1H-imidazol-1-yl)methane and carboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4217","4223","10.1039/c2dt11990k","","","0.71073","MoKα","","0.0787","0.0555","","","0.0859","0.0914","","","","","","1.073","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7019028","15.529","0.0002","27.9269","0.0004","17.3305","0.0002","90","","90","","90","","7515.84","0.17","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C20.33 H29.67 Br2 Fe N3 O0.33 S2 -","- C20.3333 H29.6667 Br2 Fe N3 O0.333333 S2 -","- C244 H356 Br24 Fe12 N36 O4 S24 -","12","1.5","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","0.71073","MoKα","","0.0608","0.0293","","","0.0529","0.0722","","","","","","1.139","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7020368","6.8874","0.0007","7.6896","0.0008","29.879","0.005","90","","90","","90","","1582.4","0.4","180","2","180","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H20 N2 O11 Zn -","- C12 H20 N2 O11 Zn -","- C48 H80 N8 O44 Zn4 -","4","0.5","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.0247","0.0226","","","0.051","0.0514","","","","","","1.021","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020369","6.9402","0.0007","7.933","0.0007","29.988","0.004","90","","90","","90","","1651","0.3","180","2","180","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H20 Cd N2 O11 -","- C12 H20 Cd N2 O11 -","- C48 H80 Cd4 N8 O44 -","4","0.5","","Dokorou, Vassiliki N.; Milios, Constantinos J.; Tsipis, Athanassios C.; Haukka, Matti; Weidler, Peter G.; Powell, Annie K.; Kostakis, George E.","Pseudopeptidic ligands: exploring the self-assembly of isophthaloylbisglycine (H2IBG) and divalent metal ions.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12501","12513","10.1039/c2dt31383a","","","0.71073","MoKα","","0.0376","0.0295","","","0.0575","0.059","","","","","","1.04","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020421","9.2953","0.0004","24.9586","0.0008","30.4963","0.0012","90","","90","","90","","7075.1","0.5","100","1","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C36 H48 N4 O2 S2 Sn -","- C36 H48 N4 O2 S2 Sn -","- C288 H384 N32 O16 S16 Sn8 -","8","1","","Shpakovsky, D. B.; Banti, C. N.; Beaulieu-Houle, G; Kourkoumelis, N.; Manoli, M.; Manos, M. J.; Tasiopoulos, A. J.; Hadjikakou, S. K.; Milaeva, E. R.; Charalabopoulos, K.; Bakas, T.; Butler, I. S.; Hadjiliadis, N.","Synthesis, structural characterization and in vitro inhibitory studies against human breast cancer of the bis-(2,6-di-tert-butylphenol)tin(iv) dichloride and its complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","48","14568","14582","10.1039/c2dt31527k","","","1.54184","CuKα","","0.0397","0.0329","","","0.1037","0.1365","","","","","","1.136","","","","has coordinates","179908","2020-10-21","18:00:00",""
"7021207","13.3879","0.0004","34.4666","0.0013","31.0242","0.001","90","","90","","90","","14315.7","0.8","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C111 H159 Cl3 Cu3 Li3 N6 O12 -","- C111 H159 Cl3 Cu3 Li3 N6 O12 -","- C444 H636 Cl12 Cu12 Li12 N24 O48 -","4","0.5","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","x-ray","0.71073","MoKα","","0.0533","0.043","","","0.1308","0.1426","","","","","","0.695","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021459","14.735","0.003","27.448","0.006","33.677","0.008","90","","90","","90","","13621","5","158","2","158","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H168 Cu10 Gd2 N20 O36 -","- C96 H108 Cu10 Gd2 N20 O45 -","- C384 H432 Cu40 Gd8 N80 O180 -","4","0.5","","Jankolovits, Joseph; Cutland Van-Noord, Annabel D; Kampf, Jeff W.; Pecoraro, Vincent L.","Selective anion encapsulation in solid-state Ln(iii)[15-metallacrown-5](3+) compartments through secondary sphere interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9803","9808","10.1039/c3dt50535a","","","0.71073","MoKα","","0.067","0.0585","","","0.1555","0.1605","","","","","","1.049","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021748","12.3843","0.0006","15.8374","0.0007","19.3284","0.001","90","","90","","90","","3791","0.3","103","2","103","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H13 Co Cu N2 O6 -","- C19 H13 Co Cu N2 O6 -","- C152 H104 Co8 Cu8 N16 O48 -","8","1","","Gao, Junkuo; He, Mi; Lee, Zhi Yi; Cao, Wenfang; Xiong, Wei-Wei; Li, Yongxin; Ganguly, Rakesh; Wu, Tom; Zhang, Qichun","A surfactant-thermal method to prepare four new three-dimensional heterometal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11367","11370","10.1039/c3dt51103k","","","0.71073","MoKα","","0.0309","0.0266","","","0.074","0.1011","","","","","","1.177","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021749","12.419","0.003","15.579","0.003","19.68","0.004","90","","90","","90","","3807.6","1.4","103","2","103","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H4.25 Cu N2 Ni O6 -","- C19 H13 Cu N2 Ni O6 -","- C152 H104 Cu8 N16 Ni8 O48 -","8","1","","Gao, Junkuo; He, Mi; Lee, Zhi Yi; Cao, Wenfang; Xiong, Wei-Wei; Li, Yongxin; Ganguly, Rakesh; Wu, Tom; Zhang, Qichun","A surfactant-thermal method to prepare four new three-dimensional heterometal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11367","11370","10.1039/c3dt51103k","","","0.71073","MoKα","","0.1019","0.0694","","","0.1728","0.1987","","","","","","0.985","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7022928","14.6484","0.0008","16.4358","0.0007","16.5923","0.0008","90","","90","","90","","3994.7","0.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H38 Gd2 N2 O21 -","- C38 H38 Gd2 N2 O21 -","- C152 H152 Gd8 N8 O84 -","4","0.5","","Ma, Ming-Li; Ji, Can; Zang, Shuang-Quan","Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal-organic framework materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10579","10586","10.1039/c3dt50315a","","","0.71073","MoKα","","0.0574","0.0528","","","0.1342","0.1372","","","","","","1.057","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022929","14.665","0.0012","16.7949","0.001","16.7292","0.0009","90","","90","","90","","4120.4","0.5","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H38 N2 O21 Pr2 -","- C38 H38 N2 O21 Pr2 -","- C152 H152 N8 O84 Pr8 -","4","0.5","","Ma, Ming-Li; Ji, Can; Zang, Shuang-Quan","Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal-organic framework materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10579","10586","10.1039/c3dt50315a","","","0.71073","MoKα","","0.0747","0.0659","","","0.1546","0.1613","","","","","","1.084","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022930","14.6026","0.0004","16.6301","0.0004","16.6617","0.0005","90","","90","","90","","4046.17","0.19","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H38 N2 O21 Sm2 -","- C38 H38 N2 O21 Sm2 -","- C152 H152 N8 O84 Sm8 -","4","0.5","","Ma, Ming-Li; Ji, Can; Zang, Shuang-Quan","Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal-organic framework materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10579","10586","10.1039/c3dt50315a","","","0.71073","MoKα","","0.0624","0.0567","","","0.1326","0.136","","","","","","1.096","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022931","14.6702","0.0006","16.3686","0.0005","16.5747","0.0007","90","","90","","90","","3980.1","0.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H38 N2 O21 Tb2 -","- C38 H38 N2 O21 Tb2 -","- C152 H152 N8 O84 Tb8 -","4","0.5","","Ma, Ming-Li; Ji, Can; Zang, Shuang-Quan","Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal-organic framework materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10579","10586","10.1039/c3dt50315a","","","0.71073","MoKα","","0.0565","0.0528","","","0.1276","0.1301","","","","","","1.098","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022932","14.6077","0.0006","16.5568","0.0006","16.6303","0.0007","90","","90","","90","","4022.2","0.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H38 Eu2 N2 O21 -","- C38 H38 Eu2 N2 O21 -","- C152 H152 Eu8 N8 O84 -","4","0.5","","Ma, Ming-Li; Ji, Can; Zang, Shuang-Quan","Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal-organic framework materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10579","10586","10.1039/c3dt50315a","","","0.71073","MoKα","","0.0594","0.0556","","","0.1378","0.1397","","","","","","1.06","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7023310","13.5047","0.0002","23.249","0.0005","24.3739","0.0004","90","","90","","90","","7652.7","0.2","293","2","293","2","","","","","","","synthesis","8","C 2 2 21","C 2c 2","20","","","","- C24 H38 Cl2 I N6 O2 P Ru -","- C24 H38 Cl2 I N6 O2 P Ru -","- C192 H304 Cl16 I8 N48 O16 P8 Ru8 -","8","1","","Menéndez-Pedregal, Estefania; Díez, Josefina; Manteca, Ángel; Sánchez, Jesús; Bento, Ana C.; García-Navas, Rósula; Mollinedo, Faustino; Gamasa, M. Pilar; Lastra, Elena","Antitumor activity of new enantiopure pybox-ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13955","13967","10.1039/c3dt51160j","","","1.54184","CuKα","","0.0555","0.0502","","","0.1395","0.1446","","","","","","1.055","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023441","9.0155","0.0012","17.429","0.002","15.794","0.002","90","","90","","90","","2481.7","0.5","120","2","120","2","","","","","","","","7","C 2 2 21","C 2c 2","20","A-Ghosh sample 1","Li-salt of Co(III)-dibromide complex with amidate ligand, CH3CN solvate","","- C9.45 H10 Br Co0.5 Li0.5 N3.24 O -","- C9.182 H10 Br Co0.5 Li0.5 N3.10475 O -","- C73.456 H80 Br8 Co4 Li4 N24.838 O8 -","8","1","","Ramidi, Punnamchandar; Gerasimchuk, Nikolay; Gartia, Yashraj; Felton, Charlette M.; Ghosh, Anindya","Synthesis and characterization of Co(III) amidoamine complexes: influence of substituents of the ligand on catalytic cyclic carbonate synthesis from epoxide and carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13151","13160","10.1039/c3dt51352a","","","0.71073","MoKα","","0.0654","0.0394","","","0.0815","0.0911","","","","","","0.989","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023942","16.9447","0.0007","18.8097","0.0009","23.3593","0.0011","90","","90","","90","","7445.2","0.6","220","2","220","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C56 H108 N8 Si8 Y2 -","- C56 H108 N8 Si8 Y2 -","- C224 H432 N32 Si32 Y8 -","4","0.5","","Sun, Song; Ouyang, Hao; Luo, Yunjie; Zhang, Yong; Shen, Qi; Yao, Yingming","Synthesis of β-diketiminate-ligated bimetallic and monometallic lanthanide amide complexes and their reactivity with isoprene and AlMe3.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16355","16364","10.1039/c3dt52014e","","","0.7107","MoKα","","0.0485","0.0348","","","0.0698","0.0736","","","","","","1.03","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024474","14.1899","0.0003","14.315","0.0003","23.4356","0.0005","90","","90","","90","","4760.44","0.17","150","1","150","1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H38 B F4 N2 Rh -","- C23 H38 B F4 N2 Rh -","- C184 H304 B8 F32 N16 Rh8 -","8","1","","De Crisci, Antonio G.; Annibale, Vincent T.; Hamer, Gordon K.; Lough, Alan J.; Fekl, Ulrich","Characterization of a rhodium-sparteine complex, [((-)-sparteine)Rh(eta4-COD)]+: crystal structure and DNMR/DFT studies on ligand-rotation dynamics.","Dalton transactions (Cambridge, England : 2003)","2010","39","11","2888","2902","10.1039/b917487g","","","0.71073","MoKα","","0.0533","0.0402","","","0.0922","0.0987","","","","","","1.086","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7025323","10.2776","0.0012","18.339","0.002","22.788","0.003","90","","90","","90","","4295.1","0.9","193","2","193","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C8 H24 N2 O42 S7 U6 -","- C8 H20 N2 O42 S7 U6 -","- C32 H80 N8 O168 S28 U24 -","4","0.5","","Bharara, Mohan S.; Gorden, Anne E. V.","Amine templated two- and three-dimensional uranyl sulfates.","Dalton transactions (Cambridge, England : 2003)","2010","39","15","3557","3559","10.1039/b926973h","","","0.71073","MoKα","","0.0539","0.0468","","","0.1157","0.1209","","","","","","1.024","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7026291","15.444","0.005","16.302","0.005","20.352","0.007","90","","90","","90","","5124","3","120","2","120","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C17 H37 Cl4 N3 O4.5 Pd1.5 -","- C17 H33 Cl4 N3 O4.5 Pd1.5 -","- C136 H264 Cl32 N24 O36 Pd12 -","8","1","","Accadbled, Fabien; Tinant, Bernard; Hénon, Eric; Carrez, Danièle; Croisy, Alain; Bouquillon, Sandrine","Synthesis of chiral β-aminoalcohol palladium complexes exhibiting cytotoxic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8982","8993","10.1039/c0dt00328j","","","0.71069","MoKα","","0.0288","0.0288","","","0.0812","0.0812","","","","","","1.159","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026442","17.1923","0.0013","24.0034","0.0019","20.6647","0.0016","90","","90","","90","","8527.8","1.1","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C78 H117 N6 O U2 -","- C78 H117 N6 O U2 -","- C312 H468 N24 O4 U8 -","4","0.5","","Fox, Alexander R.; Creutz, Sidney E.; Cummins, Christopher C.","A bimetallic uranium mu-dicarbide complex: synthesis, X-ray crystal structure, and bonding.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6632","6634","10.1039/c0dt00419g","","","0.71073","MoKα","","0.0497","0.0411","","","0.0954","0.0982","","","","","","1.202","","","","has coordinates,has disorder","179970","2020-10-21","18:00:00",""
"7027009","14.926","0.001","20.133","0.001","16.671","0.002","90","","90","","90","","5009.7","0.7","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C26 H38 N2 -","- C26 H38 N2 -","- C208 H304 N16 -","8","1","","Boeré, René T.; Klassen, Vicki; Wolmershäuser, Gotthelf","Synthesis of some very bulky N,N′-disubstituted amidines and initial studies of their coordination chemistry †","Journal of the Chemical Society, Dalton Transactions","1998","","24","4147","","10.1039/a805548c","","","0.71073","MoKα","","0.092","0.0454","","","0.114","0.1366","","","","","","0.808","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7027550","13.649","0.008","33.654","0.019","23.209","0.012","90","","90","","90","","10661","10","160","2","160","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C104 H96 Cl2 O8 P8 Pt4 S4 Zn -","- C104 H96 Cl2 O8 P8 Pt4 S4 Zn -","- C416 H384 Cl8 O32 P32 Pt16 S16 Zn4 -","4","0.5","","Capdevila, Mercè; Carrasco, Yolanda; Clegg, William; Coxall, Robert A.; González-Duarte, Pilar; Lledós, Agustí; Antonio Ramírez, José; Ramírez, Antonio","Extending knowledge on the nucleophilicity of the {Pt2S2} core: Ph2PCH2CH2PPh2 as an alternative terminal ligand in [L2Pt(μ-S)2PtL2] metalloligands †","Journal of the Chemical Society, Dalton Transactions","1999","","17","3103","","10.1039/a903899j","","","0.6865","synchrotron","","0.1239","0.1052","","","0.2223","0.2295","","","","","","1.219","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7027551","13.59","0.003","33.847","0.006","22.927","0.004","90","","90","","90","","10546","4","160","2","160","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C104 H96 Cd Cl2 O8 P8 Pt4 S4 -","- C104 H96 Cd Cl2 O8 P8 Pt4 S4 -","- C416 H384 Cd4 Cl8 O32 P32 Pt16 S16 -","4","0.5","","Capdevila, Mercè; Carrasco, Yolanda; Clegg, William; Coxall, Robert A.; González-Duarte, Pilar; Lledós, Agustí; Antonio Ramírez, José; Ramírez, Antonio","Extending knowledge on the nucleophilicity of the {Pt2S2} core: Ph2PCH2CH2PPh2 as an alternative terminal ligand in [L2Pt(μ-S)2PtL2] metalloligands †","Journal of the Chemical Society, Dalton Transactions","1999","","17","3103","","10.1039/a903899j","","","0.71073","MoKα","","0.0702","0.0485","","","0.0972","0.1028","","","","","","1.009","","","","has coordinates","179981","2020-10-21","18:00:00",""
"7028758","8.8275","0.0004","37.7023","0.0017","18.6602","0.0009","90","","90","","90","","6210.4","0.5","130","2","130","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C64 H60 Cl2 Co2 N10 O15 -","- C64 H58 Cl2 Co2 N10 O15 -","- C256 H232 Cl8 Co8 N40 O60 -","4","0.5","","Mulyana, Yanyan; Alley, Kerwyn G.; Davies, Kristian M.; Abrahams, Brendan F.; Moubaraki, Boujemaa; Murray, Keith S.; Boskovic, Colette","Dinuclear cobalt(ii) and cobalt(iii) complexes of bis-bidentate napthoquinone ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","6","2499","2511","10.1039/c3dt52811a","","","1.54184","CuKα","","0.1173","0.0915","","","0.2195","0.2381","","","","","","1.1","","","","has coordinates","179993","2020-10-21","18:00:00",""
"7029250","5.5637","0.0005","9.3007","0.0008","24.992","0.002","90","","90","","90","","1293.24","0.19","120","","120","","","","","","","","","4","C 2 2 21","C 2c 2","20","Lithium tartrate","Lithium meso-tartrate hemihydrate","","- C4 H5 Li2 O6.5 -","- C4 H5 Li2 O6.5 -","- C32 H40 Li16 O52 -","8","1","","Yeung, Hamish Hei-Man; Cheetham, Anthony Kevin","Phase selection during the crystallization of metal-organic frameworks; thermodynamic and kinetic factors in the lithium tartrate system.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","95","102","10.1039/c3dt52430b","","","0.71073","MoKα","","0.0489","0.0391","","","0.0737","0.0784","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029492","6.176","0.007","10.596","0.015","17.466","0.017","90","","90","","90","","1143","2","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Bi2 K4 Zn -","- Bi2 K4 Zn -","- Bi8 K16 Zn4 -","4","0.5","","Qin, Qian; Zhou, Liujiang; Wang, Yi; Sang, Ruili; Xu, Li","Linear triatomic [ZnBi2](4-) in K4ZnBi2.","Dalton transactions (Cambridge, England : 2003)","2014","43","16","5990","5993","10.1039/c3dt53419g","","","0.71073","MoKα","","0.0928","0.0881","","","0.218","0.2212","","","","","","1.446","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7029628","18.0484","0.0006","24.5701","0.0009","46.1636","0.0017","90","","90","","90","","20471.3","1.3","110","2","110","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C43 H54 Cl N3 O3 Zr -","- C43 H54 Cl N3 O3 Zr -","- C688 H864 Cl16 N48 O48 Zr16 -","16","2","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0615","0.0513","","","0.1207","0.1249","","","","","","1.039","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029873","23.4878","0.0016","28.214","0.002","31.304","0.002","90","","90","","90","","20745","2","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C188 H276 Cl2 Fe7 N18 O38 -","- C170 H234 Cl2 Fe7 N18 O28 -","- C680 H936 Cl8 Fe28 N72 O112 -","4","0.5","","Mukherjee, Chandan; Hoeke, Veronika; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten","Switching from antiferromagnetic to ferromagnetic coupling in heptanuclear [M(t)6M(c)](n+) complexes by going from an achiral to a chiral triplesalen ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9690","9703","10.1039/c4dt00670d","","","0.71073","MoKα","","0.0643","0.0582","","","0.1684","0.1744","","","","","","1.045","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029874","23.1459","0.001","28.167","0.0012","31.7049","0.0013","90","","90","","90","","20670","1.5","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C192 H276 Cl2 Fe Mn6 N18 O38 -","- C176 H244 Cl2 Fe Mn6 N18 O30 -","- C704 H976 Cl8 Fe4 Mn24 N72 O120 -","4","0.5","","Mukherjee, Chandan; Hoeke, Veronika; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen; Glaser, Thorsten","Switching from antiferromagnetic to ferromagnetic coupling in heptanuclear [M(t)6M(c)](n+) complexes by going from an achiral to a chiral triplesalen ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9690","9703","10.1039/c4dt00670d","","","0.71073","MoKα","","0.0618","0.0488","","","0.1259","0.134","","","","","","1.039","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7030297","11.0925","0.001","13.1506","0.0012","13.4576","0.0012","90","","90","","90","","1963.1","0.3","130","2","130","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C18 H34 Ca O4 -","- C18 H34 Ca O4 -","- C72 H136 Ca4 O16 -","4","0.5","","Davin, Julien P.; Buffet, Jean-Charles; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal complexes of a chiral polyether as initiator for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12612","12618","10.1039/c2dt31309j","","","0.71073","MoKα","","0.0704","0.0625","","","0.1663","0.1731","","","","","","1.135","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7031538","8.735","0.006","15.412","0.008","19.541","0.009","90","","90","","90","","2631","3","200","2","200","2","","","","","","","synthesis as described","6","C 2 2 21","C 2c 2","20","","","","- C19 H4 Cl4 Fe3 O7 S4 -","- C19 H4 Cl4 Fe3 O7 S4 -","- C76 H16 Cl16 Fe12 O28 S16 -","4","0.5","","Bruña, Sonia; Cuadrado, Isabel; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Llusar, Rosa; Martín, Avelino; Menéndez, Nieves; Polo, Victor; Zamora, Félix","New insights into the chemistry of di- and trimetallic iron dithiolene derivatives. Structural, Mössbauer, magnetic, electrochemical and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13187","13195","10.1039/c4dt01462f","","x-ray","0.71073","MoKα","","0.0482","0.0307","","","0.0654","0.0704","","","","","","0.877","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7032124","11.656","0.002","14.612","0.003","23.686","0.005","90","","90","","90","","4034.1","1.4","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C50 H64 N4 -","- C50 H64 N4 -","- C200 H256 N16 -","4","0.5","","Sidiropoulos, Anastas; Osborne, Brooke; Simonov, Alexandr N.; Dange, Deepak; Bond, Alan M.; Stasch, Andreas; Jones, Cameron","Expanded ring N-heterocyclic carbene adducts of group 15 element trichlorides: synthesis and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14858","14864","10.1039/c4dt02074j","","","0.7109","Synchrotron","","0.0375","0.035","","","0.0851","0.0866","","","","","","1.057","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7035658","15.6813","0.001","19.0221","0.0017","17.6117","0.001","90","","90","","90","","5253.4","0.6","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C46 H40 Cu2 La Mo N12 O8 -","- C46 H40 Cu2 La Mo N12 O8 -","- C184 H160 Cu8 La4 Mo4 N48 O32 -","4","0.5","","Visinescu, Diana; Alexandru, Maria-Gabriela; Madalan, Augustin M.; Pichon, Céline; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Magneto-structural variety of new 3d-4f-4(5)d heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","38","16713","16727","10.1039/c5dt01738f","","","0.71073","MoKα","","0.0758","0.0471","","","0.079","0.0863","","","","","","0.91","","","","has coordinates","161122","2020-10-21","18:00:00",""
"7035976","17.1654","0.0006","20.7645","0.0006","25.2494","0.0009","90","","90","","90","","8999.7","0.5","298","2","298.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","Hf","","- C86 H88 Hf N4 O6 -","- C86 H88 Hf N4 O6 -","- C344 H352 Hf4 N16 O24 -","4","0.5","","Rajashekhar, Bijja; Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group 4 metal complexes of Trost's semi-crown ligand: synthesis, structural characterization and studies on the ring-opening polymerization of lactides and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16280","16293","10.1039/c5dt02267c","","","0.71073","MoKα","","0.0291","0.0239","","","0.0577","0.0602","","","","","","1.098","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035977","16.9781","0.0012","20.6006","0.001","24.9765","0.0017","90","","90","","90","","8735.8","1","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Zr","","- C86 H88 N4 O6 Zr -","- C86 H88 N4 O6 Zr -","- C344 H352 N16 O24 Zr4 -","4","0.5","","Rajashekhar, Bijja; Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group 4 metal complexes of Trost's semi-crown ligand: synthesis, structural characterization and studies on the ring-opening polymerization of lactides and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16280","16293","10.1039/c5dt02267c","","","0.71073","MoKα","","0.0642","0.0494","","","0.1118","0.1182","","","","","","1.028","","","","has coordinates","161612","2020-10-21","18:00:00",""
"7036144","16.139","0.003","18.968","0.006","46.829","0.012","90","","90","","90","","14336","6","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C39 H57.9 N13.5 O10.2 Pr -","- C39.068 H55.602 N13.534 O10.1667 Pr -","- C468.816 H667.224 N162.408 O122 Pr12 -","12","1.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","0.71073","MoKα","","0.0699","0.0539","","","0.1454","0.1569","","","","","","1.053","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036145","16.089","0.004","19.277","0.005","46.964","0.012","90","","90","","90","","14566","6","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C40.4 H58.6 Eu N14.2 O9.5 -","- C40.488 H57.732 Eu N14.244 O9.5 -","- C485.856 H692.784 Eu12 N170.928 O114 -","12","1.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","0.71073","MoKα","","0.072","0.0633","","","0.1491","0.1533","","","","","","1.155","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7036146","16.021","0.004","19.178","0.006","47.202","0.015","90","","90","","90","","14503","7","122","2","122","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C39.2 H56.8 N13.6 O9.5 Yb -","- C39.1333 H55.7 N13.4993 O9.298 Yb -","- C469.6 H668.4 N161.992 O111.576 Yb12 -","12","1.5","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","0.71073","MoKα","","0.064","0.0573","","","0.139","0.1437","","","","","","1.119","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7037094","20.6271","0.0008","13.6669","0.0006","20.6839","0.0009","90","","90","","90","","5831","0.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C49 H54 Cd2 N6 O18 -","- C49 H54 Cd2 N6 O18 -","- C196 H216 Cd8 N24 O72 -","4","0.5","","Yang, Jin-Xia; Zhai, Ji-Quan; Zhang, Xin; Qin, Ye-Yan; Yao, Yuan-Gen","Tuning different kinds of entangled metal-organic frameworks by modifying the spacer group of aliphatic dicarboxylate ligands and the reactant ratio.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","711","723","10.1039/c5dt03731j","","","0.71073","MoKα","","0.0495","0.0393","","","0.1008","0.1107","","","","","","0.917","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037402","17.811","0.008","19.155","0.008","14.683","0.006","90","","90","","90","","5009","4","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C49 H48 Cd2 N8 O12 -","- C49 H44 Cd2 N8 O12 -","- C196 H176 Cd8 N32 O48 -","4","0.5","","Liang, Yue; Yuan, Wei-Guan; Zhang, Shu-Fang; He, Zhan; Xue, Junru; Zhang, Xia; Jing, Lin-Hai; Qin, Da-Bin","Hydrothermal synthesis and structural characterization of metal-organic frameworks based on new tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1382","1390","10.1039/c5dt03658e","","","0.71073","MoKα","","0.0551","0.0459","","","0.1213","0.1301","","","","","","1.036","","","","has coordinates","176019","2020-10-21","18:00:00",""
"7038230","13.7884","0.0007","18.0779","0.0007","17.6422","0.0008","90","","90","","90","","4397.6","0.3","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C50 H31 Cd3 N4 O15 -","- C50 H31 Cd3 N4 O15 -","- C200 H124 Cd12 N16 O60 -","4","0.5","","Xing, Kai; Fan, Ruiqing; Gao, Song; Wang, Xinming; Du, Xi; Wang, Ping; Fang, Ru; Yang, Yulin","Controllable synthesis of Zn/Cd(ii) coordination polymers: dual-emissive luminescent properties, and tailoring emission tendency under varying excitation energies.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4863","4878","10.1039/c5dt04759e","","","0.71073","MoKα","","0.037","0.0271","","","0.0433","0.0455","","","","","","1.041","","","","has coordinates","181705","2020-10-21","18:00:00",""
"7039112","16.9652","0.0002","25.8649","0.0002","14.1059","0.0001","90","","90","","90","","6189.71","0.1","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C57 H52 B2 N12 O9 Zn2 -","- C57 H52 B2 N12 O9 Zn2 -","- C228 H208 B8 N48 O36 Zn8 -","4","0.5","","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","","x-ray","0.69791","synchrotron","","0.0293","0.0293","","","0.0819","0.0819","","","","","","1.081","","","","has coordinates","185418","2020-10-21","18:00:00",""
"7039178","17.363","0.002","24.704","0.003","9.8942","0.001","90","","90","","90","","4244","0.8","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","2,6 diisopropylanilinium tetraiodobismuthate","","- C12 H20 Bi I4 N -","- C12 H20 Bi I4 N -","- C96 H160 Bi8 I32 N8 -","8","1","","Pandey, Souvik; Andrews, Alex P.; Venugopal, Ajay","Manifestation of helicity in one-dimensional iodobismuthate.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8705","8707","10.1039/c6dt01032f","","","0.71073","MoKα","","0.0435","0.028","","","0.0557","0.0606","","","","","","0.873","","","","has coordinates","185450","2020-10-21","18:00:00",""
"7039180","17.29","0.0008","24.7674","0.0011","9.8852","0.0004","90","","90","","90","","4233.1","0.3","85","2","85","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","2,6 diisopropylanilinium tetraiodobismuthate","","- C12 H20 Bi I4 N -","- C12 H20 Bi I4 N -","- C96 H160 Bi8 I32 N8 -","8","1","","Pandey, Souvik; Andrews, Alex P.; Venugopal, Ajay","Manifestation of helicity in one-dimensional iodobismuthate.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8705","8707","10.1039/c6dt01032f","","","0.71073","MoKα","","0.0508","0.0319","","","0.049","0.0534","","","","","","0.962","","","","has coordinates","185450","2020-10-21","18:00:00",""
"7039181","17.3001","0.0006","24.7219","0.0008","9.8813","0.0003","90","","90","","90","","4226.1","0.2","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","2,6 diisopropylanilinium tetraiodobismuthate","","- C12 H20 Bi I4 N -","- C12 H20 Bi I4 N -","- C96 H160 Bi8 I32 N8 -","8","1","","Pandey, Souvik; Andrews, Alex P.; Venugopal, Ajay","Manifestation of helicity in one-dimensional iodobismuthate.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8705","8707","10.1039/c6dt01032f","","","0.71073","MoKα","","0.0522","0.0305","","","0.0523","0.0585","","","","","","1.004","","","","has coordinates","185450","2020-10-21","18:00:00",""
"7039318","15.1732","0.0004","20.1215","0.0008","15.398","0.0004","90","","90","","90","","4701.1","0.3","150","1","150","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C48 H68 Ge N4 P2 -","- C48 H68 Ge N4 P2 -","- C192 H272 Ge4 N16 P8 -","4","0.5","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0679","0.0469","","","0.0906","0.1016","","","","","","1.141","","","","has coordinates","185372","2020-10-21","18:00:00",""
"7039319","15.4435","0.0007","20.243","0.0003","15.3661","0.0004","90","","90","","90","","4803.8","0.3","150","1","150","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C48 H68 N4 P2 Sn -","- C48 H68 N4 P2 Sn -","- C192 H272 N16 P8 Sn4 -","4","0.5","","Vrána, Jan; Ketkov, Sergey; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor","Germylenes and stannylenes stabilized within N2PE rings (E = Ge or Sn): combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10343","10354","10.1039/c6dt01616b","","","0.71073","MoKα","","0.0492","0.032","","","0.0613","0.0727","","","","","","1.206","","","","has coordinates,has disorder","185372","2020-10-21","18:00:00",""
"7039413","15.899","0.0009","18.8362","0.0011","13.9557","0.0008","90","","90","","90","","4179.4","0.4","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H28 K4 Ni6 O36 -","- C24 H28 K4 Ni6 O36 -","- C96 H112 K16 Ni24 O144 -","4","0.5","","Li, Teng; Wang, Yanyan; Qin, Lei; Han, Tian; Ding, You-Song; Hu, Yue-Qiao; Zheng, Yan-Zhen","Construction of magnet-type coordination polymers using high-spin {Ni4}-citrate cubane as secondary building units.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10798","10806","10.1039/c6dt01405d","","","0.71073","MoKα","","0.017","0.0168","","","0.047","0.0471","","","","","","1.072","","","","has coordinates,has disorder","185356","2020-10-21","18:00:00",""
"7039829","16.5234","0.0002","17.3329","0.0002","33.2686","0.0003","90","","90","","90","","9528.08","0.18","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C54 H56 Au2 Br2 N8 O2 -","- C54 H54 Au2 Br2 N8 O2 -","- C432 H432 Au16 Br16 N64 O16 -","8","1","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.71073","MoKα","","0.0583","0.0316","","","0.0524","0.0576","","","","","","0.846","","","","has coordinates,has disorder","185328","2020-10-21","18:00:00",""
"7041318","14.8008","0.0003","26.444","0.0005","33.4891","0.0006","90","","90","","90","","13107.4","0.4","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C126 H114 Cu3 N12 O24 -","- C126 H114 Cu3 N12 O24 -","- C504 H456 Cu12 N48 O96 -","4","0.5","","Nicasio, Antonio I.; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P.; Galindo, Agustín","Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","471","482","10.1039/c6dt03712g","","","0.71073","MoKα","","0.0496","0.0456","","","0.1209","0.1235","","","","","","1.023","","","","has coordinates,has disorder","191598","2020-10-21","18:00:00",""
"7044331","16.8038","0.001","25.7731","0.001","26.1871","0.0012","90","","90","","90","","11341.3","1","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C36 H56 N6 O75 P2 W18 -","- C36 H24 N6 O75 P2 W18 -","- C144 H96 N24 O300 P8 W72 -","4","0.5","","Cui, Xiaobing; Lv, Ying; xiao, lina; hao, xiangrong; Xu, Ji-Qing","A series of organic-inorganic hybrid compounds formed by [P2W18O62]6- and several types of transition metal complexes","Dalton Trans.","2017","","","","","10.1039/C7DT02814H","","","0.71073","MoKα","","0.1251","0.0556","","","0.1217","0.1466","","","","","","1.008","","","","has coordinates","201332","2020-10-21","18:00:00",""
"7045954","9.904","0.003","14.855","0.005","21.6","0.007","90","","90","","90","","3177.9","1.8","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C20 H40 N4 O20 V4 -","- C20 H40 N4 O20 V4 -","- C80 H160 N16 O80 V16 -","4","0.5","","Cao, Jiapeng; Xiong, Yao; Luo, Ximing; Chen, Lu; Shi, Jie; Zhou, Mengjie; Xu, Yan","A pair of new chiral polyoxovanadates with decent NLO properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6054","6058","10.1039/c8dt00631h","","","0.71073","MoKα","","0.0858","0.0749","","","0.1937","0.2008","","","","","","1.115","","","","has coordinates","229544","2020-10-21","18:00:00",""
"7045955","9.9327","0.001","14.9115","0.0014","21.658","0.002","90","","90","","90","","3207.8","0.5","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C20 H40 N4 O20 V4 -","- C20 H40 N4 O20 V4 -","- C80 H160 N16 O80 V16 -","4","0.5","","Cao, Jiapeng; Xiong, Yao; Luo, Ximing; Chen, Lu; Shi, Jie; Zhou, Mengjie; Xu, Yan","A pair of new chiral polyoxovanadates with decent NLO properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6054","6058","10.1039/c8dt00631h","","","0.71073","MoKα","","0.0446","0.0339","","","0.0703","0.0743","","","","","","0.992","","","","has coordinates","229544","2020-10-21","18:00:00",""
"7046541","16.4251","0.0008","17.2816","0.0013","17.0414","0.0017","90","","90","","90","","4837.2","0.6","294","2","294","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C24 H28 Br4 Cl4 N4 Ni4 O8 -","- C24 H28 Br4 Cl4 N4 Ni4 O8 -","- C96 H112 Br16 Cl16 N16 Ni16 O32 -","4","0.5","","Hao, Zhi-Min; Chao, Meng-Yao; Liu, Yan; Song, Ying-Lin; Yang, Junyi; Ding, lifeng; Zhang, Wen-Hua; Lang, Jian-Ping","Evaluating the component contribution to the nonlinear optical performances using stable [Ni4O4] cuboidal clusters as models","Dalton Transactions","2018","","","","","10.1039/C8DT02080A","","","0.71073","MoKα","","0.0983","0.062","","","0.1474","0.1693","","","","","","0.999","","","","has coordinates","208117","2020-10-21","18:00:00",""
"7047623","9.0169","0.0006","17.7404","0.0012","12.9543","0.0009","90","","90","","90","","2072.2","0.2","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C8 H26 Mn2 N6 Se4 Sn -","- C8 H26 Mn2 N6 Se4 Sn -","- C32 H104 Mn8 N24 Se16 Sn4 -","4","0.5","","Luo, Hai-Ying; Zhou, Jian","A series of new hybrid selenidostannates with metal complexes prepared in alkylol amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14751","14759","10.1039/c8dt03322f","","","0.71073","MoKα","","0.0315","0.028","","","0.0543","0.0554","","","","","","1.055","","","","has coordinates","229353","2020-10-21","18:00:00",""
"7048807","9.0137","0.0016","13.3814","0.0017","20.352","0.003","90","","90","","90","","2454.8","0.6","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H38 Cl2 N4 Ni -","- C26 H38 Cl2 N4 Ni -","- C104 H152 Cl8 N16 Ni4 -","4","0.5","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.0391","0.0311","","","0.0603","0.062","","","","","","1.035","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048967","19.1135","0.0002","28.3342","0.0003","25.0357","0.0003","90","","90","","90","","13558.5","0.3","123","2","123","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C54 H9 Mn2 N5 O48 P2 W12 -","- C54 H9 Mn2 N5 O48 P2 W12 -","- C216 H36 Mn8 N20 O192 P8 W48 -","4","0.5","","Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya","Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7281","7289","10.1039/c8dt04850a","","","0.71069","MoKα","","0.0444","0.0389","","","0.1248","0.1299","","","","","","1.088","","","","has coordinates","224441","2020-10-21","18:00:00",""
"7048968","19.0981","0.0002","28.4851","0.0003","24.8371","0.0003","90","","90","","90","","13511.7","0.3","123","2","123","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C54 H9 Cu2 N5 O48 P2 W12 -","- C54 H9 Cu2 N5 O48 P2 W12 -","- C216 H36 Cu8 N20 O192 P8 W48 -","4","0.5","","Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya","Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7281","7289","10.1039/c8dt04850a","","","0.71069","MoKα","","0.0518","0.0477","","","0.1536","0.1574","","","","","","1.135","","","","has coordinates","224441","2020-10-21","18:00:00",""
"7048969","19.0988","0.0002","28.2884","0.0004","24.8669","0.0003","90","","90","","90","","13435","0.3","123","2","123","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C54 H9 N5 Ni2 O48 P2 W12 -","- C54 H9 N5 Ni2 O48 P2 W12 -","- C216 H36 N20 Ni8 O192 P8 W48 -","4","0.5","","Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya","Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7281","7289","10.1039/c8dt04850a","","","0.71069","MoKα","","0.0622","0.0553","","","0.1723","0.1801","","","","","","1.147","","","","has coordinates","224441","2020-10-21","18:00:00",""
"7048970","19.0803","0.0002","28.3426","0.0003","24.8868","0.0003","90","","90","","90","","13458.4","0.3","123","2","123","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C54 H9 Co2 N5 O48 P2 W12 -","- C54 H9 Co2 N5 O48 P2 W12 -","- C216 H36 Co8 N20 O192 P8 W48 -","4","0.5","","Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya","Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7281","7289","10.1039/c8dt04850a","","","0.71069","MoKα","","0.0572","0.0528","","","0.1625","0.1679","","","","","","1.096","","","","has coordinates","224441","2020-10-21","18:00:00",""
"7048971","19.0793","0.0002","28.2796","0.0003","24.917","0.0003","90","","90","","90","","13444.1","0.3","123","2","123","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C54 H9 N5 O48 P2 W12 Zn2 -","- C54 H9 N5 O48 P2 W12 Zn2 -","- C216 H36 N20 O192 P8 W48 Zn8 -","4","0.5","","Suzuki, Kosuke; Minato, Takuo; Tominaga, Naoto; Okumo, Ichiro; Yonesato, Kentaro; Mizuno, Noritaka; Yamaguchi, Kazuya","Hexavacant γ-Dawson-type phosphotungstates supporting an edge-sharing bis(square-pyramidal) {O<sub>2</sub>M(μ<sub>3</sub>-O)<sub>2</sub>(μ-OAc)MO<sub>2</sub>} core (M = Mn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, or Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7281","7289","10.1039/c8dt04850a","","","0.71069","MoKα","","0.0488","0.0458","","","0.1445","0.1472","","","","","","1.155","","","","has coordinates","224441","2020-10-21","18:00:00",""
"7049786","17.001","0.003","20.578","0.004","14.373","0.002","90","","90","","90","","5028.3","1.5","100","0.2","100","0.2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16.5 H31.5 Al N4.5 Si3 -","- C16.5 H31.5 Al N4.5 Si3 -","- C132 H252 Al8 N36 Si24 -","8","1","","Bawari, Deependra; Negi, Chandrakala; Porwal, Vishal Kumar; Ravi, Satyam; Shamasundar, K. R.; Singh, Sanjay","Aluminum containing molecular bowls and pyridinophanes: use of pyridine modules to access different molecular topologies.","Dalton transactions (Cambridge, England : 2003)","2019","48","21","7442","7450","10.1039/c8dt05105d","","","0.71075","MoKα","","0.1139","0.0711","","","0.1331","0.1635","","","","","","0.987","","","","has coordinates","224461","2020-10-21","18:00:00",""
"7050046","10.2844","0.0005","16.5841","0.0008","75.389","0.004","90","","90","","90","","12858.2","1.1","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H34 N4 O4 Zn -","- C38 H34 N4 O4 Zn -","- C608 H544 N64 O64 Zn16 -","16","2","","Takacs, James M.; Hrvatin, Paul M.; Atkins, Jeffery M.; Reddy, D. Sahadeva; Clark, Joanna L.","The selective formation of neutral, heteroleptic zinc(ii) complexes via self-discrimination of chiral bisoxazoline racemates and pseudoracemates","New Journal of Chemistry","2005","29","2","263","","10.1039/b413439g","","","0.71073","MoKα","","0.0554","0.0524","","","0.1037","0.1046","","","","","","1.214","","","","has coordinates","180054","2020-10-21","18:00:00",""
"7050834","17.6","0.0008","23.0061","0.0011","14.9033","0.0006","90","","90","","90","","6034.5","0.5","200","","200","","","","","","","","","5","C 2 2 21","C 2c 2","20","","[Zn(bimb)(OAc)2]6H2O","","- C24 H36 N4 O10 Zn -","- C24 H24 N4 O10 Zn -","- C192 H192 N32 O80 Zn8 -","8","1","","Zhu, Hui-Fang; Zhao, Wei; Okamura, Taka-aki; Fei, Bao-Li; Sun, Wei-Yin; Ueyama, Norikazu","Self-assembly of a snake-like blue photoluminescent coordination polymer from 4,4???-bis(imidazol-1-ylmethyl)biphenyl and zinc acetateElectronic supplementary information (ESI) available: color version of Fig. 3. See http://www.rsc.org/suppdata/nj/b2/b200383j/.","New Journal of Chemistry","2002","26","10","1277","","10.1039/b200383j","","","0.71069","MoKα","","0.161","0.0429","","","0.0484","0.0568","","","","","","0.548","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050972","10.976","0.002","19.178","0.004","12.415","0.003","90","","90","","90","","2613.3","1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C60 H40 Co4 N8 O18 -","- C60 H36 Co4 N8 O18 -","- C120 H72 Co8 N16 O36 -","2","0.25","","Li, Yangguang; Zhang, Hong; Wang, Enbo; Hao, Na; Hu, Changwen; Yan, Yu; Hall, Donavan","A novel chiral coordination polymer with a two-dimensional undulated (6,4)-network: [Co4(2,2???-bipy)4(H2O)2(btec)2]n (btec???=???1,2,4,5-benzenetetracarboxylate)Electronic supplementary information (ESI) available: packing diagram and XPS, IR and TG spectra of 1. See http://www.rsc.org/suppdata/nj/b2/b205718b/.","New Journal of Chemistry","2002","26","11","1619","","10.1039/b205718b","","","0.71073","MoKα","","0.0501","0.0472","","","0.1191","0.1207","","","","","","1.02","","","","has coordinates","288503","2023-12-22","13:36:34",""
"7051819","10.8805","0.0014","17.269","0.002","18.868","0.003","90","","90","","90","","3545.2","0.8","120","2","120","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C40 H50 N2 O4 Ti -","- C40 H50 N2 O4 Ti -","- C160 H200 N8 O16 Ti4 -","4","0.5","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0557","0.0444","","","0.0898","0.0937","","","","","","1.045","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7053552","13.9467","0.0005","26.2945","0.001","16.361","0.0006","90","","90","","90","","5999.9","0.4","223","2","223","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C39 H59 N3 Ni5 O30.5 -","- C39 H59 N3 Ni5 O30.5 -","- C156 H236 N12 Ni20 O122 -","4","0.5","","Leong, Wei Lee; Vittal, Jagadese J.","Alkali metal ion directed self-assembled Ni(ii) molecular clusters","New Journal of Chemistry","2010","34","10","2145","","10.1039/c0nj00157k","","","0.71073","MoKα","","0.0542","0.0473","","","0.1172","0.1212","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053770","16.4766","0.0011","27.872","0.002","36.378","0.003","90","","90","","90","","16706","2","153","2","153","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C89 H93.5 Ag2 F12 N10.5 O P2 -","- C89 H93.5 Ag2 F12 N10.5 O P2 -","- C712 H748 Ag16 F96 N84 O8 P16 -","8","1","","Perret-Aebi, Laure-Emmanuelle; von Zelewsky, Alexander; Neels, Antonia","Diastereoselective preparation of Cu(i) and Ag(i) double helices by the use of chiral bis-bipyridine ligands","New Journal of Chemistry","2009","33","3","462","","10.1039/b817610h","","","0.71073","MoKα","","0.1541","0.1196","","","0.3141","0.3372","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053910","22.934","0.004","30.885","0.005","10.5055","0.0018","90","","90","","90","","7441","2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C40.5 H35.5 Cu N3.5 O7 -","- C40.5 H35.5 Cu N3.5 O7 -","- C324 H284 Cu8 N28 O56 -","8","1","","Tanaka, Koichi; Kikumoto, Yuki; Hota, Naoki; Takahashi, Hiroki","Homochiral coordination polymers with nanotubular channels for enantioselective sorption of chiral guest molecules","New Journal of Chemistry","2014","38","3","880","","10.1039/c3nj01058a","","","0.71075","MoKα","","0.0587","0.0535","","","0.1495","0.1539","","","","","","1.11","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054793","26.231","0.003","15.548","0.002","16.869","0.003","90","","90","","90","","6879.8","1.7","289","2","289","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Λ-bis(2,2'-bipridine-N,N')-(saccharinato-N)-copper(II) saccharinate dihydrate","","- C34 H28 Cu N6 O8 S2 -","- C34 H24 Cu N6 O8 S2 -","- C272 H192 Cu8 N48 O64 S16 -","8","1","","Lennartson, Anders; Håkansson, Mikael","Absolute asymmetric synthesis of five-coordinate complexes","New J. Chem.","2015","39","8","5936","","10.1039/C5NJ00254K","","x-ray","0.71073","MoKα","","0.0441","0.0384","","","0.0924","0.095","","","","","","0.975","","","","has coordinates","153248","2020-10-21","18:00:00",""
"7056090","8.9036","0.0005","21.1337","0.0013","26.6726","0.0016","90","","90","","90","","5018.9","0.5","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H24 Au Cl5 N2 -","- C16 H24 Au Cl5 N2 -","- C128 H192 Au8 Cl40 N16 -","8","1","","Anisimova, Tatyana B.; Kinzhalov, Mikhail A.; Guedes da Silva, M. Fátima C.; Novikov, Alexander S.; Kukushkin, Vadim Yu.; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Addition of N-nucleophiles to gold(iii)-bound isocyanides leading to short-lived gold(iii) acyclic diaminocarbene complexes","New J. Chem.","2017","41","9","3246","","10.1039/C7NJ00529F","","","0.71073","MoKα","","0.0834","0.053","","","0.1278","0.142","","","","","","1.013","","","","has coordinates","196491","2020-10-21","18:00:00",""
"7056306","9.7305","0.0007","20.371","0.0014","15.4532","0.0011","90","","90","","90","","3063.1","0.4","93","2","93","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H32 Cu2 N4 O4 -","- C30 H32 Cu2 N4 O4 -","- C120 H128 Cu8 N16 O16 -","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","","","1.54178","CuKα","","0.0222","0.0216","","","0.0594","0.0597","","","","","","1.048","","","","has coordinates","197762","2020-10-21","18:00:00",""
"7056802","11.1773","0.0003","14.8332","0.0004","34.5406","0.0012","90","","90","","90","","5726.7","0.3","200","2","200","2","","","","","","","None","6","C 2 2 21","C 2c 2","20","","","","- C48 H70 N2 O12 S2 Sn4 -","- C48 H70 N2 O12 S2 Sn4 -","- C192 H280 N8 O48 S8 Sn16 -","4","0.5","","Singh, Navjot; Srivastav, Neha; Singh, Raghubir; Kaur, Varinder; Brendler, Erica; Wagler, Jörg; Kroke, Edwin","Fluorescent biogenic Schiff base compounds of dimethyltin","New Journal of Chemistry","2018","42","3","1655","","10.1039/C7NJ03731G","","","0.71073","MoKα","","0.0536","0.0372","","","0.0789","0.0871","","","","","","1.095","","","","has coordinates","230568","2020-10-21","18:00:00",""
"7056921","6.8499","0.0004","25.8041","0.0017","9.4897","0.0005","90","","90","","90","","1677.36","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H12 B F6 N3 -","- C17 H12 B F6 N3 -","- C68 H48 B4 F24 N12 -","4","0.5","","Prasannan, Dijo; Arunkumar, Chellaiah","A “turn-on-and-off” pH sensitive BODIPY fluorescent probe for imaging E. coli cells","New Journal of Chemistry","2018","42","5","3473","","10.1039/C7NJ04313A","","","0.71073","MoKα","","0.061","0.0502","","","0.1467","0.1565","","","","","","1.122","","","","has coordinates","230258","2020-10-21","18:00:00",""
"7056969","16.0345","0.0007","17.0024","0.0007","13.3898","0.0006","90","","90","","90","","3650.4","0.3","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Sn(1,2-HOPO) trihydrate","","","- C34 H40 N8 O15 Sn -","- C34 H38 N8 O15 Sn -","- C136 H152 N32 O60 Sn4 -","4","0.5","","Deblonde, Gauthier J.-P.; Lohrey, Trevor D.; An, Dahlia D.; Abergel, Rebecca J.","Toxic heavy metal ‒ Pb, Cd, Sn ‒ complexation by the octadentate hydroxypyridinonate ligand archetype 3,4,3-LI(1,2-HOPO)","New Journal of Chemistry","2018","42","10","7649","","10.1039/C7NJ04559J","","","0.7749","synchrotron","","0.0395","0.0318","","","0.0733","0.0765","","","","","","1.044","","","","has coordinates","230188","2020-10-21","18:00:00",""
"7057173","11.4202","0.0011","14.1684","0.0015","13.0538","0.0013","90","","90","","90","","2112.2","0.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C22 H12 N5 O4 Zn -","- C22 H12 N5 O4 Zn -","- C88 H48 N20 O16 Zn4 -","4","0.5","","Zhang, Jian; Zhao, Lili; Liu, Yinxia; Li, Mingyue; Li, Gang; Meng, Xiangru","Two luminescent transition-metal‒organic frameworks with a predesigned ligand as highly sensitive and selective iron(iii) sensors","New Journal of Chemistry","2018","42","9","6839","","10.1039/C8NJ00656C","","","0.71073","MoKα","","0.0414","0.0372","","","0.0957","0.101","","","","","","1.059","","","","has coordinates,has disorder","230444","2020-10-21","18:00:00",""
"7062959","8.3889","0.0005","9.8846","0.0007","25.0684","0.0017","90","","90","","90","","2078.7","0.2","296","","296","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H24 Br4 Cu N2 O4 -","- C12 H24 Br4.0008 Cu N2 O4 -","- C48 H96 Br16.0032 Cu4 N8 O16 -","4","0.5","","Wang, Xianran; Wu, Yuying; Gao, Feng; Wang, Youfu","Chiral zero-dimensional hybrid organic–inorganic metal halides based on nipecotic acid and tetrabromocuprate","New Journal of Chemistry","2024","48","7","3192","3198","10.1039/D3NJ05858A","","x-ray","1.54178","CuKα","","0.0325","0.0294","","","0.0789","0.0806","","","","","","1.054","","","","has coordinates,has disorder","290246","2024-03-04","20:37:57",""
"7062960","9.8431","0.001","8.42","0.0009","25.19","0.002","90","","90","","90","","2087.7","0.3","296.15","","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H24 Br4 Cu N2 O4 -","- C12 H24 Br4 Cu N2 O4 -","- C48 H96 Br16 Cu4 N8 O16 -","4","0.5","","Wang, Xianran; Wu, Yuying; Gao, Feng; Wang, Youfu","Chiral zero-dimensional hybrid organic–inorganic metal halides based on nipecotic acid and tetrabromocuprate","New Journal of Chemistry","2024","48","7","3192","3198","10.1039/D3NJ05858A","","x-ray","1.54184","CuKα","","0.0383","0.037","","","0.1023","0.1039","","","","","","1.097","","","","has coordinates,has disorder","290246","2024-03-04","20:37:58",""
"7063081","16.0607","0.0004","28.9999","0.0009","38.8996","0.0009","90","","90","","90","","18117.8","0.8","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H33 Ag Eu N13 O14 P2 -","- C36 H33 Ag Eu N13 O14 P2 -","- C576 H528 Ag16 Eu16 N208 O224 P32 -","16","2","","Bryleva, Yuliya A.; Rakhmanova, Mariana I.; Artem'ev, Alexander V.; Baranov, Andrey Yu.; Glinskaya, Ludmila A.","Dual emissive Ln(iii)–Ag(i) heterometallic chains based on tris(2-pyridyl)phosphine oxide","New Journal of Chemistry","2024","48","14","6430","6437","10.1039/D4NJ00617H","","","0.71073","MoKα","","0.0448","0.0384","","","0.0842","0.0882","","","","","","1.055","","","","has coordinates,has disorder","291019","2024-04-05","00:04:44",""
"7063082","16.0444","0.0004","28.8706","0.0009","38.8302","0.001","90","","90","","90","","17986.6","0.9","150","2","150","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H33 Ag N13 O14 P2 Tb -","- C36 H33 Ag N13 O14 P2 Tb -","- C576 H528 Ag16 N208 O224 P32 Tb16 -","16","2","","Bryleva, Yuliya A.; Rakhmanova, Mariana I.; Artem'ev, Alexander V.; Baranov, Andrey Yu.; Glinskaya, Ludmila A.","Dual emissive Ln(iii)–Ag(i) heterometallic chains based on tris(2-pyridyl)phosphine oxide","New Journal of Chemistry","2024","48","14","6430","6437","10.1039/D4NJ00617H","","","0.71073","MoKα","","0.0443","0.034","","","0.0719","0.0763","","","","","","1.017","","","","has coordinates,has disorder","291019","2024-04-05","00:04:44",""
"7100368","11.098","0.004","14.847","0.007","29.42","0.01","90","","90","","90","","4847","3","173.1","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C58 H60 N O9 -","- C58 H60 N O9 -","- C232 H240 N4 O36 -","4","0.5","","S. Chatani; M. Nakamura; H. Akahane; N. Kohyama; M. Taki; T. Arata","Synthesis of C2-Chiral Bifunctional Spin Labels and Their Application to Troponin C","Chemical Communications","2005","","","","","10.1039/b418016j","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7101357","11.039","0.002","24.551","0.005","18.7","0.007","90","","90","","90","","5068","2","198.1","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H25 F3 N2 O5 -","- C28 H25 F3 N2 O5 -","- C224 H200 F24 N16 O40 -","8","1","","Takashi Ishihara; Tsutomu Konno; Taichi Shimada; Masamitsu Yoshioka","First Highly Stereoselective Synthesis of anti-alpha-Trifluoromethyl-beta-amino Acid Derivatives","Chemical Communications","2006","","34","","","10.1039/b603882d","","","1.54178","CuKα","","","0.042","","","","0.1063","","","","","","1.101","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7104501","12.4608","0.0013","20.445","0.002","13.2263","0.0014","90","","90","","90","","3369.6","0.6","130","2","130","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C25 H46 Cl Cu F3 N8 O9 S -","- C25 H46 Cl Cu F3 N8 O9 S -","- C100 H184 Cl4 Cu4 F12 N32 O36 S4 -","4","0.5","","Ma, Michelle T; Karas, John A; White, Jonathan M; Scanlon, Denis; Donnelly, Paul S","A new bifunctional chelator for copper radiopharmaceuticals: a cage amine ligand with a carboxylate functional group for conjugation to peptides.","Chemical communications (Cambridge, England)","2009","34","22","3237","3239","10.1039/b903426a","","","0.71073","MoKα","","0.0553","0.0476","","","0.1196","0.1231","","","","","","1.1","","","","has coordinates","180148","2020-10-21","18:00:00",""
"7105348","10.566","0.002","15.364","0.003","19.755","0.004","90","","90","","90","","3206.9","1.1","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C33 H33 Co Cu N5 O9 -","- C33 H33 Co Cu N5 O9 -","- C132 H132 Co4 Cu4 N20 O36 -","4","0.5","","Pardo, Emilio; Train, Cyrille; Lescouëzec, Rodrigue; Journaux, Yves; Pasán, Jorge; Ruiz-Pérez, Catalina; Delgado, Fernando S; Ruiz-Garcia, Rafael; Lloret, Francesc; Paulsen, Carley","Single chain magnet behaviour in an enantiopure chiral cobalt(II)-copper(II) one-dimensional compound.","Chemical communications (Cambridge, England)","2010","46","13","2322","2324","10.1039/b920231e","","","0.7513","","","0.0476","0.0473","","","0.1299","0.1304","","","","","","1.061","","","","has coordinates,has disorder","180157","2020-10-21","18:00:00",""
"7106063","17.596","0.0012","18.9475","0.0012","14.378","0.0009","90","","90","","90","","4793.6","0.5","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C45 H40 Ag F3 N2 O6 P2 S -","- C45 H40 Ag F3 N2 O6 P2 S -","- C180 H160 Ag4 F12 N8 O24 P8 S4 -","4","0.5","","Nasser Nasser; Richard J. Puddephatt","Self-assembled polymers of silver(I) with a chiral diphosphine ligand","Chem.Commun.","2011","47","","2808","","10.1039/c0cc05411a","","","0.71073","MoKα","","0.0775","0.0518","","","0.1069","0.1148","","","","","","1.01","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106586","7.6698","0.0004","21.0303","0.0011","28.3731","0.0011","90","","90","","90","","4576.5","0.4","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H36 F6 N4 O8 Si Zn -","- C36 H36 F6 N4 O8 Si Zn -","- C144 H144 F24 N16 O32 Si4 Zn4 -","4","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.1319","0.1025","","","0.2626","0.3649","","","","","","1.212","","","","has coordinates","210887","2020-10-21","18:00:00",""
"7106588","7.6731","0.0005","21.0006","0.0013","28.3703","0.0019","90","","90","","90","","4571.6","0.5","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H36 F6 N4 O8 Si Zn -","- C36 H36 F6 N4 O8 Si Zn -","- C144 H144 F24 N16 O32 Si4 Zn4 -","4","0.5","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: design of enantiomerically pure helical tubular crystals with controlled channel size and orientation","Chemical Communications (Cambridge, United Kingdom)","2011","47","27","7635","7637","10.1039/c1cc12110c","","","0.71073","MoKα","","0.1441","0.1145","","","0.2374","0.2638","","","","","","1.265","","","","has coordinates,has disorder","210887","2020-10-21","18:00:00",""
"7106812","4.8026","0.0001","20.304","0.0005","15.993","0.0005","90","","90","","90","","1559.51","0.07","180","2","180","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C14 H6 Cu N7 -","- C14 H6 Cu N7 -","- C56 H24 Cu4 N28 -","4","0.5","","Robert J. Less; Thomas C. Wilson; Mary McPartlin; Paul; T.; Wood; Wright, Dominic","Transition metal complexes of the pentacyanocyclopentadienide anion","Chem.Commun.","2011","47","","10007","","10.1039/c1cc13021h","","","0.71073","MoKα","","0.0437","0.0313","","","0.0866","0.1077","","","","","","1.204","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7108503","10.15","0.015","17.72","0.03","10.24","0.03","90","","90","","90","","1842","7","123","2","123","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C25 H23 B -","- C25 H23 B -","- C100 H92 B4 -","4","0.5","","Tomokatsu Kushida; Zhiguo Zhou; Atsushi Wakamiya; Shigehiro Yamaguchi","Planarized B-Phenylborataanthracene: Structural and Electronic Impacts of Coplanar-Constraint","Chem.Commun.","2012","48","","10715","","10.1039/c2cc35874c","","","0.7107","MoKa","","0.0466","0.0405","","","0.0968","0.0994","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108737","6.622","0.005","20.485","0.015","17.748","0.013","90","","90","","90","","2408","3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Cs4 Mo5 O22 P2 -","- Cs4 Mo5 O22 P2 -","- Cs16 Mo20 O88 P8 -","4","0.5","","Ying Wang; Shilie Pan; Hongwei Yu; Xin Su; Min Zhang; Fangfang Zhang; Jian Han","Cs4Mo5P2O22: a first Strandberg-type POM with 1D straight chains of polymerized [Mo5P2O23]^6-^ units and moderate second harmonic generation response","Chem.Commun.","2013","49","","306","","10.1039/c2cc36354b","","","0.71073","MoKα","","0.0383","0.0314","","","0.0483","0.0503","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109036","16.1956","0.0001","17.7581","0.0001","18.1464","0.0002","90","","90","","90","","5218.96","0.07","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C27 H32 N3 O3 -","- C27 H31 N3 O3 -","- C216 H248 N24 O24 -","8","1","","Lei Zhang; Mingyue Zheng; Yun Zhai; Hong Liu","Rapid and selective access to three distinct sets of indole-based heterocycles from a single set of Ugi-adducts under microwave heating","Chem.Commun.","2013","49","","2894","","10.1039/c3cc00111c","","","1.54178","CuKα","","0.062","0.0593","","","0.182","0.1869","","","","","","1.129","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109507","7.9714","0.0016","17.775","0.004","21.312","0.004","90","","90","","90","","3019.7","1.1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H12 Na2 O25 U2 -","- C18 H6 Na2 O25 U2 -","- C72 H24 Na8 O100 U8 -","4","0.5","","Hao Wang; Ze Chang; Yue Li; Rong-Mei Wen; Xian-He Bu","Chiral uranyl-organic compounds assembled with achiral furandicarboxylic acid by spontaneous resolution","Chem.Commun.","2013","49","","6659","","10.1039/c3cc42255k","","","0.71073","MoKα","","0.0496","0.0429","","","0.0917","0.0942","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109508","7.9674","0.0016","17.755","0.004","21.296","0.004","90","","90","","90","","3012.6","1.1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H12 Na2 O25 U2 -","- C18 H6 Na2 O25 U2 -","- C72 H24 Na8 O100 U8 -","4","0.5","","Hao Wang; Ze Chang; Yue Li; Rong-Mei Wen; Xian-He Bu","Chiral uranyl-organic compounds assembled with achiral furandicarboxylic acid by spontaneous resolution","Chem.Commun.","2013","49","","6659","","10.1039/c3cc42255k","","","0.71073","MoKα","","0.0367","0.0335","","","0.0811","0.0827","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110812","13.6982","0.0017","30.091","0.004","25.195","0.003","90","","90","","90","","10385","2","193","2","193","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C66 H66 Cl14 N32 O36 Zn4 -","- C66 H66 Cl14 N32 O36 Zn4 -","- C264 H264 Cl56 N128 O144 Zn16 -","4","0.5","","Bu, Xian-He; Tanaka, Kentaro; Shionoya, Mitsuhiko; Biradha, Kumar; Morishita, Hiromasa; Furusho, Sanae","A spontaneously resolved chiral molecular box: a cyclic tetranuclear ZnII complex with DPTZ (DPTZ = 3,6-di-2-pyridyl-1,2,4,5-tetrazine)","Chemical Communications","2000","","11","971","","10.1039/a909742b","","","0.71073","MoKα","","0.088","0.0499","","","0.1105","0.1218","","","","","","0.925","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7111279","10.3466","0.0002","18.5415","0.0003","22.7001","0.0004","90","","90","","90","","4354.82","0.13","150","2","150","2","","","","","","","synthesis as described","6","C 2 2 21","C 2c 2","20","","","","- C8 H28 N2 O42 S7 U6 -","- C8 H24 N2 O42 S7 U6 -","- C32 H96 N8 O168 S28 U24 -","4","0.5","","Doran, Michael; Norquist, Alexander J.; O'Hare, Dermot","[NC4H12]2[(UO2)6(H2O)2(SO4)7]: the first organically templated actinide sulfate with a three-dimensional framework structure","Chemical Communications","2002","","24","2946","2947","10.1039/b210272b","","x-ray","0.71073","MoKα","","0.0377","0.0331","","","0.076","0.0783","","","","","","1.038","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7112404","16.6959","0.0003","25.6652","0.0005","13.6023","0.0003","90","","90","","90","","5828.6","0.2","198","","198","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H43 As2 Cl3 Mo N -","- C23 H43 As2 Cl3 Mo N -","- C184 H344 As16 Cl24 Mo8 N8 -","8","1","","Tanabe, Yoshiaki; Kuriyama, Shogo; Arashiba, Kazuya; Miyake, Yoshihiro; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum-dinitrogen complexes bearing an arsenic-containing ANA-type pincer ligand.","Chemical communications (Cambridge, England)","2013","49","81","9290","9292","10.1039/c3cc45228j","","","0.71075","MoKα","","","0.0191","","","","0.0395","","","","","","1","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7114173","12.816","0.003","34.481","0.007","24.816","0.005","90","","90","","90","","10966","4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C108 H108 Cl6 Gd2 N6 O22 -","- C108 H86 Cl6 Gd2 N6 O22 -","- C432 H344 Cl24 Gd8 N24 O88 -","4","0.5","","Cui, Yong; Ngo, Helen L.; White, Peter S.; Lin, Wenbin","Homochiral 3D lanthanide coordination networks with an unprecedented 4966 topology","Chemical Communications","2002","","16","1666","","10.1039/b204249e","","","0.71073","MoKα","","0.0677","0.045","","","0.1144","0.1324","","","","","","1.118","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114174","12.776","0.003","34.298","0.007","24.724","0.005","90","","90","","90","","10834","4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C108 H108 Cl6 Er2 N6 O22 -","- C108 H86 Cl6 Er2 N6 O22 -","- C432 H344 Cl24 Er8 N24 O88 -","4","0.5","","Cui, Yong; Ngo, Helen L.; White, Peter S.; Lin, Wenbin","Homochiral 3D lanthanide coordination networks with an unprecedented 4966 topology","Chemical Communications","2002","","16","1666","","10.1039/b204249e","","","0.71073","MoKα","","0.0855","0.0469","","","0.1097","0.1287","","","","","","1.064","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114242","14.036","0.001","22.98","0.002","9.033","0.001","90","0.01","90","0.01","90","0.01","2913.6","0.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Cu(NO3)2*2(C14H10N2)*0.29(C10H10N2)","","","- C123.52 H73.6 Cu4 N25.92 O24 -","- C30.88 H18.4 Cu N6.48 O6 -","- C123.52 H73.6 Cu4 N25.92 O24 -","4","0.5","","Zaman, Md. Badruz; Udachin, Konstantin; Akhtaruzzaman, Md.; Yamashita, Yoshiro; Ripmeester, John A.","Organic/inorganic supramolecular channel frameworks containing a photosensitive azobenzene molecule as an included guest","Chemical Communications","2002","","20","2322","","10.1039/b204315g","","","0.7107","MoKα","","0.0466","0.0419","","","0.1116","0.1153","","","","","","1.162","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7115241","11.632","0.006","16.114","0.005","13.92","0.004","90","","90","","90","","2609.1","1.7","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H36 P6 Ti -","- C20 H36 P6 Ti -","- C80 H144 P24 Ti4 -","4","0.5","","Cloke, F. Geoffrey N.; Hanks, John R.; Hitchcock, Peter B.; Nixon, John F.","Synthesis, structure and reactivity of the hexaphospha-titanocene, bis-(η5-3,5-di-tert-butyl-1,2,4-triphosphacyclopentadienyl)titanium(II)","Chemical Communications","1999","","17","1731","","10.1039/a905469c","","","0.71073","MoKα","","0.026","0.0245","","0.063","0.0619","","","","1.063","1.066","1.066","","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115985","21.051","0.004","28.357","0.006","13.136","0.003","90","","90","","90","","7841","3","296","2","296","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C27 H25 Br Cl N5 O6 S -","- C27 H25 Br Cl N5 O6 S -","- C216 H200 Br8 Cl8 N40 O48 S8 -","8","1","","Qi-Liang Yang; Ming-Sheng Xie; Chao Xia; Huan-Li Sun; Dan-Jie Zhang; Ke-Xin Huang; Zhen Guo; Gui-Rong Qu; Hai-Ming Guo","A rapid and divergent access to chiral azacyclic nucleoside analogues via highly enantioselective 1,3-dipolar cycloaddition of beta-nucleobase substituted acrylates","Chem.Commun.","2014","50","","14809","","10.1039/C4cc06632D","","","0.71073","MoKα","","0.1032","0.0508","","","0.0931","0.1028","","","","","","1.014","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116084","3.999","0.003","29.96","0.03","10.493","0.009","90","","90","","90","","1257.2","1.9","293","","293","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H8 O4 S4 -","- C12 H8 O4 S4 -","- C48 H32 O16 S16 -","4","0.5","","Junya Yoshida; Akira Ueda; Akiko Nakao; Reiji Kumai; Hironori Nakao; Youichi Murakami; Hatsumi Mori","Solid-solid phase interconversion in an organic conductor crystal: hydrogen-bond-mediated dynamic changes in pi-stacked molecular arrangement and physical properties","Chem.Commun.","2014","50","","15557","","10.1039/C4cc07810A","","","0.71075","MoKα","","","0.0559","","","","0.1364","","","","","","1.142","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116648","7.3088","0.0017","31.966","0.009","12.46","0.004","90","","90","","90","","2911.1","1.4","113","","113","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C14 H14 Br2 N2 -","- C14 H14 Br2 N2 -","- C112 H112 Br16 N16 -","8","1","","Yusuke Kita; Kosuke Higashida; Kenta Yamaji; Atsuhiro Iimuro; Kazushi Mashima","Asymmetric hydrogenation of quinazolinium salts catalysed by halide-bridged dinuclear iridium complexes bearing chiral diphosphine ligands","Chem.Commun.","2015","51","","4380","","10.1039/C5cc00258C","","","0.71075","MoKα","","0.0612","0.0472","","","0.0935","0.1014","","","","","","0.999","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116767","9.1399","0.0015","18.122","0.003","11.5436","0.0019","90","","90","","90","","1912","0.5","90","2","90","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H26 Fe3 N6 Se4 -","- C8 H26 Fe3 N6 Se4 -","- C32 H104 Fe12 N24 Se16 -","4","0.5","","Joshua T. Greenfield; Chongin Pak; Saeed Kamali; Kathleen Lee; Kirill Kovnir","Control over connectivity and magnetism of tetrahedral FeSe2 chains through coordination Fe-amine complexes","Chem.Commun.","2015","51","","5355","","10.1039/C4cc08608B","","","0.71073","MoKα","","0.1054","0.0553","","","0.0876","0.1042","","","","","","1.01","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7118363","9.937","0.004","17.673","0.007","10.223","0.004","90","","90","","90","","1795.3","1.2","123","2","123","2","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C26 H22 -","- C26 H22 -","- C104 H88 -","4","0.5","","Iwahara, Hideaki; Kushida, Tomokatsu; Yamaguchi, Shigehiro","A planarized 9-phenylanthracene: a simple electron-donating building block for fluorescent materials.","Chemical communications (Cambridge, England)","2016","52","6","1124","1127","10.1039/c5cc08259e","","","0.71075","MoKa","","0.0416","0.0392","","","0.1034","0.1054","","","","","","1.107","","","","has coordinates","173627","2020-10-21","18:00:00",""
"7119644","19.543","0.004","24.165","0.005","23.605","0.005","90","","90","","90","","11148","4","200","","200","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C57.74 H85.74 Mn N6 -","- C57.734 H85.734 Mn N6 -","- C461.872 H685.872 Mn8 N48 -","8","1","","Leconte, Nicolas; Moutet, Jules; Herasymchuk, Khrystyna; Clarke, Ryan M.; Philouze, Christian; Luneau, Dominique; Storr, Tim; Thomas, Fabrice","Mn(iv) and Mn(v)-radical species supported by the redox non-innocent bis(2-amino-3,5-di-tert-butylphenyl)amine pincer ligand.","Chemical communications (Cambridge, England)","2017","53","18","2764","2767","10.1039/c7cc00516d","","x-ray","0.71073","MoKα","","0.0659","0.0446","","","0.1005","0.112","","","","","","1.11","","","","has coordinates,has disorder","193710","2020-10-21","18:00:00",""
"7119738","29.72","0.06","37.891","0.016","37.65","0.03","90","","90","","90","","42398","9","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C132 H72 N36 O27 Zn6 -","- C132 H72 N36 O27 Zn6 -","- C528 H288 N144 O108 Zn24 -","4","0.5","","Li, Pei-Zhou; Su, Jie; Liang, Jie; Liu, Jia; Zhang, Yuanyuan; Chen, Hongzhong; Zhao, Yanli","A highly porous metal-organic framework for large organic molecule capture and chromatographic separation.","Chemical communications (Cambridge, England)","2017","53","24","3434","3437","10.1039/c7cc01063j","","","1.54178","CuKα","","0.0865","0.0692","","","0.2004","0.2172","","","","","","1.038","","","","has coordinates","194939","2020-10-21","18:00:00",""
"7122316","8.3581","0.0006","22.439","0.002","14.0407","0.0011","90","","90","","90","","2633.3","0.4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H36 N2 O5 -","- C30 H36 N2 O5 -","- C120 H144 N8 O20 -","4","0.5","","Bedekar, Ashutosh; Khanvilkar, Aditya N.","Optically pure 2-(quinolin-8-yloxy)cyclohexan-1-ol as a practical agent for molecular recognition by NMR and fluorescence spectroscopy","Chemical Communications","2018","","","","","10.1039/C8CC06245E","","x-ray","0.71073","","","0.0584","0.0421","","","0.091","0.1011","","","","","","1.029","","","","has coordinates","210544","2020-10-21","18:00:00",""
"7122317","8.4035","0.0009","22.609","0.002","14.0695","0.0018","90","","90","","90","","2673.1","0.5","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H36 N2 O5 -","- C30 H36 N2 O5 -","- C120 H144 N8 O20 -","4","0.5","","Bedekar, Ashutosh; Khanvilkar, Aditya N.","Optically pure 2-(quinolin-8-yloxy)cyclohexan-1-ol as a practical agent for molecular recognition by NMR and fluorescence spectroscopy","Chemical Communications","2018","","","","","10.1039/C8CC06245E","","x-ray","0.71073","MoKα","","0.0531","0.0396","","","0.0828","0.0902","","","","","","1.0419","","","","has coordinates","210544","2020-10-21","18:00:00",""
"7122684","17.463","0.004","30.555","0.006","30.775","0.006","90","","90","","90","","16421","6","100","","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C72 H68 Cd2 N8 O18 -","- C72 H68 Cd2 N8 O18 -","- C576 H544 Cd16 N64 O144 -","8","1","","Boer, Stephanie A.; Cox, Rosalind P.; Beards, Michael; Wang, Huixin; Donald, William; Bell, Toby D. M.; Turner, David Roger","Elucidation of naphthalene diimide metallomacrocycles and catenanes by solvent dependent excimer and exciplex emission","Chemical Communications","2018","","","","","10.1039/C8CC09191A","","x-ray","0.7108","Synchrotron","","0.1119","0.0865","","","0.2371","0.2682","","","","","","1.03","","","","has coordinates","212356","2020-10-21","18:00:00",""
"7122743","11.2294","0.0007","25.0427","0.0015","22.9742","0.0016","90","","90","","90","","6460.7","0.7","200","2","200","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C36 H60 Cd3 Co3 I3 N6 O21 S6 -","- C36 H60 Cd3 Co3 I3 N6 O21 S6 -","- C144 H240 Cd12 Co12 I12 N24 O84 S24 -","4","0.5","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0378","0.0363","","","0.0807","0.0817","","","","","","1.06","","","","has coordinates,has disorder","212642","2020-10-21","18:00:00",""
"7122744","11.2149","0.0007","25.0212","0.0015","22.9649","0.0016","90","","90","","90","","6444.2","0.7","200","2","200","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C36 H60 Cd3 Co3 I3 N6 O21 S6 -","- C36 H60 Cd3 Co3 I3 N6 O21 S6 -","- C144 H240 Cd12 Co12 I12 N24 O84 S24 -","4","0.5","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0317","0.031","","","0.0744","0.0749","","","","","","1.069","","","","has coordinates,has disorder","212642","2020-10-21","18:00:00",""
"7122746","11.0674","0.0009","24.976","0.002","22.705","0.0018","90","","90","","90","","6276.1","0.9","200","2","200","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C36 H60 Br3 Cd3 Co3 N6 O21 S6 -","- C36 H60 Br3 Cd3 Co3 N6 O21 S6 -","- C144 H240 Br12 Cd12 Co12 N24 O84 S24 -","4","0.5","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0313","0.0289","","","0.0726","0.0737","","","","","","1.046","","","","has coordinates,has disorder","212642","2020-10-21","18:00:00",""
"7122750","11.0409","0.0017","24.93","0.004","22.688","0.004","90","","90","","90","","6244.9","1.8","200","2","200","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C36 H60 Br3 Cd3 Co3 N6 O21 S6 -","- C36 H60 Br3 Cd3 Co3 N6 O21 S6 -","- C144 H240 Br12 Cd12 Co12 N24 O84 S24 -","4","0.5","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0828","0.0595","","","0.0945","0.1002","","","","","","1.054","","","","has coordinates,has disorder","212642","2020-10-21","18:00:00",""
"7122823","13.3813","0.0011","16.8878","0.0011","27.6","0.002","90","","90","","90","","6237.1","0.8","200","2","200","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C34 H21 Br F3 N O4 -","- C34 H21 Br F3 N O4 -","- C272 H168 Br8 F24 N8 O32 -","8","1","","Yang, Shu-Mei; Karanam, Praneeth; Wang, Min; Jang, Yeong-Jiunn; Yeh, Yu-Sheng; Tseng, Ping-Yao; Ganapuram, Madhusudhan Reddy; Liou, Yan-Cheng; Lin, Wenwei","A vinylogous Michael addition-triggered quadruple cascade reaction for the enantioselective generation of multiple quaternary stereocenters","Chemical Communications","2019","","","","","10.1039/C8CC09219B","","","0.71073","MoKα","","0.0859","0.0694","","","0.1358","0.1419","","","","","","1.132","","","","has coordinates","213050","2020-10-21","18:00:00",""
"7123686","33.681","0.011","13.162","0.005","11.381","0.004","90","","90","","90","","5045","3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C27 H34 N2 O8 -","- C27 H34 N2 O8 -","- C108 H136 N8 O32 -","4","0.5","","Chen, Yuan; Qian, Cheng; Zhao, Qian; Cheng, Ming; Dong, Xinran; Zhao, Yue; Jiang, Juli; Wang, Leyong","Adjustable Chiral Self-sorting and Self-discriminating Behaviour between Diamond-like Tröger’s Base-linked Cryptands","Chemical Communications","2019","","","","","10.1039/C9CC03577J","","","0.71073","MoKα","","0.1239","0.0887","","","0.1997","0.2163","","","","","","1.193","","","","has coordinates","216081","2020-10-21","18:00:00",""
"7126038","12.7471","0.0002","24.2024","0.0004","35.7587","0.0013","90","","90","","90","","11031.9","0.5","296.87","0.1","296.87","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C54 H39 F5 N3 O2 Rh -","- C54 H38 F5 N3 O2 Rh -","- C432 H304 F40 N24 O16 Rh8 -","8","1","","Das, Mainak; Chitranshi, Sangya; Murugavel, M.; Adinarayana, B.; Suresh, Cherumuttathu H.; Srinivasan, A.","Isosmaragdyrin with an N<sub>3</sub>C<sub>2</sub> core: stabilization of Rh(i) and organo-Pt(ii) complexes.","Chemical communications (Cambridge, England)","2020","56","24","3551","3554","10.1039/d0cc00214c","","","1.54184","CuKα","","0.1123","0.1014","","","0.2736","0.2901","","","","","","1.12","","","","has coordinates","250153","2020-10-21","18:00:00",""
"7126060","13.8896","0.0012","14.0055","0.0012","37.666","0.003","90","","90","","90","","7327.2","1.1","90","2","90","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C37 H42 Ag F10 N4 P -","- C37 H42 Ag F10 N4 P -","- C296 H336 Ag8 F80 N32 P8 -","8","1","","Lee, Eunji; Hosoi, Yasuhiro; Temma, Honoka; Ju, Huiyeong; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi","Silver ion-induced chiral enhancement by argentivorous molecules.","Chemical communications (Cambridge, England)","2020","56","23","3373","3376","10.1039/d0cc00798f","","","0.71073","MoKα","","0.0296","0.0293","","","0.0812","0.0829","","","","","","1.047","","","","has coordinates,has disorder","250197","2020-10-21","18:00:00",""
"7126175","10.8529","0.0009","12.6448","0.0014","13.8015","0.0011","90","","90","","90","","1894","0.3","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","N,N'-Diacetyl-N,N'-di(4-trifluoromethylphenyl)-hydrazine","","- C18 H14 F6 N2 O2 -","- C18 H14 F6 N2 O2 -","- C72 H56 F24 N8 O8 -","4","0.5","","Breising, Valentina M.; Kayser, Jacob M.; Kehl, Anton; Schollmeyer, Dieter; Liermann, Johannes C.; Waldvogel, Siegfried R.","Electrochemical formation of N,N'-diarylhydrazines by dehydrogenative N-N homocoupling reaction.","Chemical communications (Cambridge, England)","2020","56","31","4348","4351","10.1039/d0cc01052a","","","0.71073","MoKα","","0.0971","0.0557","","","0.1052","0.1227","","","","","","1.133","","","","has coordinates,has disorder","251576","2020-10-21","18:00:00",""
"7126893","10.4664","0.0006","35.353","0.002","39.212","0.002","90","","90","","90","","14509.2","1.4","100","","100","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C136 H134 B2 Co4 F48 N14 P2 -","- C136 H134 B2 Co4 F48 N14 P2 -","- C544 H536 B8 Co16 F192 N56 P8 -","4","0.5","","Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","67","9675","9678","10.1039/d0cc03521a","","","0.71073","MoKα","","0.0988","0.0692","","","0.1677","0.1885","","","","","","1.048","","","","has coordinates,has disorder","256028","2020-10-21","18:00:00",""
"7127435","10.095","0.002","30.238","0.006","33.51","0.007","90","","90","","90","","10229","4","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0417","0.0415","","","0.1216","0.1218","","","","","","1.036","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127436","10.198","0.002","30.356","0.006","33.691","0.007","90","","90","","90","","10430","4","180","","180","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0619","0.0579","","","0.1681","0.1747","","","","","","1.059","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127437","10.1","0.002","30.244","0.006","33.527","0.007","90","","90","","90","","10241","4","110","","110","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0447","0.0444","","","0.1297","0.13","","","","","","1.052","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127438","10.113","0.002","30.265","0.006","33.554","0.007","90","","90","","90","","10270","4","140","","140","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0513","0.0505","","","0.1466","0.1478","","","","","","1.034","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127439","10.121","0.002","30.275","0.006","33.568","0.007","90","","90","","90","","10286","4","150","","150","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0544","0.0531","","","0.155","0.1569","","","","","","1.055","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127440","10.261","0.002","30.428","0.006","33.801","0.007","90","","90","","90","","10553","4","200","","200","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0781","0.0666","","","0.1957","0.2116","","","","","","1.003","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127441","10.286","0.002","30.443","0.006","33.846","0.007","90","","90","","90","","10598","4","210","","210","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0978","0.0761","","","0.2232","0.2512","","","","","","0.956","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127442","10.318","0.002","30.455","0.006","33.903","0.007","90","","90","","90","","10653","4","220","","220","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.1296","0.0876","","","0.2482","0.3025","","","","","","0.963","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127443","10.362","0.002","30.494","0.006","33.987","0.007","90","","90","","90","","10739","4","230","","230","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.1501","0.1","","","0.2654","0.3181","","","","","","0.965","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127444","10.104","0.002","30.25","0.006","33.535","0.007","90","","90","","90","","10250","4","120","","120","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0472","0.0467","","","0.1362","0.137","","","","","","1.044","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127445","10.137","0.002","30.295","0.006","33.599","0.007","90","","90","","90","","10318","4","160","","160","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0602","0.0578","","","0.1642","0.1678","","","","","","1.047","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127446","10.164","0.002","30.319","0.006","33.642","0.007","90","","90","","90","","10367","4","170","","170","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0624","0.0588","","","0.1684","0.1734","","","","","","1.047","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127447","10.107","0.002","30.257","0.006","33.542","0.007","90","","90","","90","","10257","4","130","","130","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0494","0.0488","","","0.1419","0.1429","","","","","","1.042","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127448","10.472","0.002","30.641","0.006","34.155","0.007","90","","90","","90","","10959","4","250","","250","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.1207","0.0924","","","0.2592","0.2961","","","","","","1.04","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127449","10.233","0.002","30.396","0.006","33.745","0.007","90","","90","","90","","10496","4","190","","190","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","MoKα","","0.0616","0.0569","","","0.1699","0.1771","","","","","","1.036","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127450","10.424","0.002","30.568","0.006","34.109","0.007","90","","90","","90","","10869","4","240","","240","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.1574","0.1065","","","0.2868","0.3397","","","","","","1.032","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127742","22.6444","0.0012","30.8757","0.0016","21.0423","0.0013","90","","90","","90","","14712","1.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","YP salphLAl(oCPCA-OiPr)","","","- C135 H175 Al3 N6 O15 -","- C135 H175 Al3 N6 O15 -","- C540 H700 Al12 N24 O60 -","4","0.5","","Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.","Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.","Chemical communications (Cambridge, England)","2020","56","90","14027","14030","10.1039/d0cc05652a","","","1.54178","CuKα","","0.0783","0.0656","","","0.1654","0.1755","","","","","","1.041","","","","has coordinates,has disorder","260464","2021-01-04","18:06:01",""
"7127743","22.7869","0.0007","30.5983","0.0009","21.2437","0.0007","90","","90","","90","","14812","0.8","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","YP salphLAl(oCHCA-OiPr)","","","- C137 H179 Al3 N6 O15 -","- C137 H179 Al3 N6 O15 -","- C548 H716 Al12 N24 O60 -","4","0.5","","Popowski, Yanay; Moreno, Juan J.; Nichols, Asa W.; Hooe, Shelby L.; Bouchey, Caitlin J.; Rath, Nigam P.; Machan, Charles W.; Tolman, William B.","Mechanistic insight into initiation and regioselectivity in the copolymerization of epoxides and anhydrides by Al complexes.","Chemical communications (Cambridge, England)","2020","56","90","14027","14030","10.1039/d0cc05652a","","","1.54178","CuKα","","0.117","0.085","","","0.2174","0.2518","","","","","","1.048","","","","has coordinates,has disorder","260464","2021-01-04","18:06:01",""
"7128848","16.6591","0.001","16.9699","0.001","17.4164","0.0009","90","","90","","90","","4923.7","0.5","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C19 H26 Cl2 F3 N3 Ni O3 S -","- C19 H26 Cl2 F3 N3 Ni O3 S -","- C152 H208 Cl16 F24 N24 Ni8 O24 S8 -","8","1","","Pandey, Pragati; Bera, Jitendra K.","Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.","Chemical communications (Cambridge, England)","2021","57","73","9204","9207","10.1039/d1cc03537a","","","0.71073","MoKα","","0.0676","0.0453","","","0.0864","0.0932","","","","","","1.004","","","","has coordinates","269617","2021-10-06","13:47:30",""
"7128883","15.67351","0.00012","34.78","0.0003","21.94284","0.00018","90","","90","","90","","11961.6","0.17","100.01","0.1","100.01","0.1","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C113 H93 F18 Ir3 N17 O11 P3 -","- C113 H93 F18 Ir3 N17 O11 P3 -","- C452 H372 F72 Ir12 N68 O44 P12 -","4","0.5","","Sunohara, Haruka; Koyamada, Kenta; Takezawa, Hiroki; Fujita, Makoto","An Ir<sub>3</sub>L<sub>2</sub> complex with anion binding pockets: photocatalytic <i>E</i>-<i>Z</i> isomerization <i>via</i> molecular recognition.","Chemical communications (Cambridge, England)","2021","57","73","9300","9302","10.1039/d1cc03620c","","x-ray","1.54184","CuKα","","0.0346","0.031","","","0.079","0.0804","","","","","","1.056","","","","has coordinates,has disorder","269615","2021-10-06","13:46:59",""
"7129490","26.59","0.004","27.526","0.005","23.91","0.004","90","","90","","90","","17500","5","273","2","273.15","","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C20 H72 Cu5 N20 Na2 Nb14 O70.5 Te10 -","- C20 H72 Cu5 N20 Na2 Nb14 O70.5 Te10 -","- C80 H288 Cu20 N80 Na8 Nb56 O282 Te40 -","4","0.5","","Cheng, Mengyuan; Liu, Yufeng; Li, Nan; Shi, Jingwen; Du, Weixin; Zhang, Dongdi; Yang, Guoping; Wang, Guan; Niu, Jingyang","Two novel telluroniobates with efficient catalytic activity for the imidation/amidation reaction","Chemical Communications","2022","","","","","10.1039/D1CC06781H","","","0.71073","MoKα","","0.074","0.0537","","","0.1551","0.17","","","","","","1.063","","","","has coordinates,has disorder","271790","2022-01-04","22:51:47",""
"7129917","26.9","0.02","36.4","0.02","53.2","0.02","90","","90","","90","","52091","5","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Perguanidino-gamma-Cyclodextrin","Perguanidino-gamma-Cyclodextrin","","- C112 H249.64 N50 O112.32 P9 -","- C112 H203 N49 O94.72 P4.6 -","- C896 H1624 N392 O757.76 P36.8 -","8","1","","Saridakis, Emmanuel; Kasimati, Eleni Marina; Yannakopoulou, Konstantina; Mavridis, Irene M.","A guanidino-γ-cyclodextrin superdimer generates a twin receptor for phosphate dimers assembled by anti-electrostatic hydrogen bonds","Chemical Communications","2022","","","","","10.1039/D2CC00323F","","","0.912","SYNCHROTRON","","0.1397","0.129","","","0.3187","0.3299","","","","","","2.386","","","","has coordinates,has disorder","274213","2022-04-01","21:53:14",""
"7130075","14.93847","0.00011","29.718","0.0003","27.4444","0.0002","90","","90","","90","","12183.7","0.18","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C110 H128 N16 O17 -","- C110 H128 N16 O17 -","- C440 H512 N64 O68 -","4","0.5","","Misra, Rajkumar; Vijayakanth, Thangavel; Shimon, Linda J. W.; Adler-Abramovich, Lihi","Atomic insight into short helical peptide comprised of consecutive multiple aromatic residues","Chemical Communications","2022","","","","","10.1039/D2CC01038K","","","1.54184","CuKα","","0.0875","0.0848","","","0.2528","0.2574","","","","","","1.107","","","","has coordinates","275373","2022-05-12","21:56:03",""
"7130634","12.6606","0.0001","35.4705","0.0002","12.0147","0.0001","90","","90","","90","","5395.54","0.07","229.99","0.1","229.99","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C288 H240 N24 -","12","1.5","","Balakrishna, Bugga; Mossin, Susanne; Kramer, Søren","Photo-induced metal-free dehydrogenative N-N homo-coupling.","Chemical communications (Cambridge, England)","2022","58","78","10977","10980","10.1039/d2cc04204e","","x-ray","1.54184","CuKα","","0.0299","0.0289","","","0.0763","0.0776","","","","","","1.045","","","","has coordinates","278402","2022-10-07","00:43:01",""
"7130972","19.361","0.003","37.863","0.006","35.71","0.006","90","","90","","90","","26178","7","160","","160","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H112 Mn3 Mo27 Na5 O181 -","- C96 H112 Mn3 Mo27 Na5 O181 -","- C384 H448 Mn12 Mo108 Na20 O724 -","4","0.5","","Qi, Zhen-Qing; Wang, Ming-Yue; Shen, Jia-Chi; Lan, YouZhao; Jiang, Zhan-Guo; Zhan, Cai-Hong","Supramolecular Hybrids of Chiral Waugh Polyoxometalate with Cyclodextrins","Chemical Communications","2022","","","","","10.1039/D2CC05529E","","","0.71073","MoKα","","0.1003","0.079","","","0.2292","0.2501","","","","","","1.037","","","","has coordinates,has disorder","279157","2022-11-09","22:56:15",""
"7131140","8.3553","0.0004","23.2081","0.0007","26.2877","0.0009","90","","90","","90","","5097.5","0.3","100","","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C60 H56 N2 O4 -","- C60 H56 N2 O4 -","- C240 H224 N8 O16 -","4","0.5","","Xu, Xiushang; Vonder Haar, Amy L.; Yoshioka, Rengo; Zhang, Qizheng; Vasylevskyi, Serhii; Musser, Andrew J.; Narita, Akimitsu","Solvent-tunable exciton-charge transfer mixed state enhances emission of functionalized benzo[<i>rst</i>]pentaphene through symmetry breaking.","Chemical communications (Cambridge, England)","2023","59","6","720","723","10.1039/d2cc05369a","","x-ray","1.54178","CuKα","","0.0661","0.0508","","","0.1197","0.1274","","","","","","1.04","","","","has coordinates,has disorder","283038","2023-05-05","00:10:16",""
"7131440","14.3819","0.001","27.2526","0.0018","26.1453","0.0017","90","","90","","90","","10247.5","1.2","110","2","110","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H35 Ir N2 O2 -","- C26 H35 Ir N2 O2 -","- C416 H560 Ir16 N32 O32 -","16","2","","Manguin, Romane; Galiana-Cameo, María; Kittikool, Tanakorn; Barthes, Cécile; Thongpaen, Jompol; Bancal, Etienne; Mallet-Ladeira, Sonia; Yotphan, Sirilata; Castarlenas, Ricardo; Mauduit, Marc; Sortais, Jean-Baptiste; Baslé, Olivier","Iridium(I) complexes with bidentate NHC ligands as catalysts for dehydrogenative directed C-H silylation.","Chemical communications (Cambridge, England)","2023","59","28","4193","4196","10.1039/d2cc06865f","","","0.71073","MoKα","","0.0479","0.0434","","","0.1014","0.1044","","","","","","1.1","","","","has coordinates,has disorder","283012","2023-05-04","23:58:50",""
"7131542","12.3684","0.0014","14.0492","0.0013","60.098","0.008","90","","90","","90","","10443","2","150","","150","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C33 H22 Br N O6 -","- C31 H21.49 Br N O4.5 -","- C496 H343.84 Br16 N16 O72 -","16","2","","Inoue, Ryo; Furumoto, Kyosuke; Morisaki, Yasuhiro","Syntheses of heterotriptycenes and their Pt complexes that emit circularly polarised fluorescence and phosphorescence.","Chemical communications (Cambridge, England)","2023","59","37","5571","5574","10.1039/d3cc01190a","","x-ray","0.71073","MoKα","","0.219","0.1719","","","0.3799","0.4118","","","","","","1.059","","","","has coordinates,has disorder","284177","2023-06-05","03:37:18",""
"7131543","12.0615","0.0007","14.387","0.0009","61.506","0.003","90","","90","","90","","10673.1","1","150","","150","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C29 H21 Br F N O4 -","- C29 H21 Br F N O4 -","- C464 H336 Br16 F16 N16 O64 -","16","2","","Inoue, Ryo; Furumoto, Kyosuke; Morisaki, Yasuhiro","Syntheses of heterotriptycenes and their Pt complexes that emit circularly polarised fluorescence and phosphorescence.","Chemical communications (Cambridge, England)","2023","59","37","5571","5574","10.1039/d3cc01190a","","x-ray","0.71073","MoKα","","0.2175","0.1201","","","0.2296","0.2761","","","","","","1.026","","","","has coordinates,has disorder","284177","2023-06-05","03:37:19",""
"7131562","7.9768","0.0002","29.4996","0.0006","23.6631","0.0005","90","","90","","90","","5568.2","0.2","113","","113","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H28 N2 O8 -","- C30 H28 N2 O8 -","- C240 H224 N16 O64 -","8","1","","Oketani, Ryusei; Shiohara, Koki; Hisaki, Ichiro","Overcoming a solid solution system on chiral resolution: combining crystallization and enantioselective dissolution.","Chemical communications (Cambridge, England)","2023","59","41","6175","6178","10.1039/d3cc01352a","","x-ray","0.71073","MoKα","","0.0963","0.0713","","","0.1557","0.1664","","","","","","1.055","","","","has coordinates,has disorder","284179","2023-06-05","03:37:52",""
"7132208","10.591","0.006","42.48","0.03","15.387","0.008","90","","90","","90","","6923","7","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Ferrocenyl","2,2'-(Sulfinylbis(anthracene-10,9-diyl))diferrocene","","- C48 H34 Fe2 O S -","- C48 H34 Fe2 O S -","- C384 H272 Fe16 O8 S8 -","8","1","","Removski, Nicole; Wolf, Michael O.","The unexpected effect of ferrocenyl substituents on the photochemistry of dianthryl sulfoxides.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04345b","","","0.71073","MoKα","","0.0979","0.0776","","","0.1778","0.1902","","","","","","1.093","","","","has coordinates,has disorder","286962","2023-10-13","21:54:27",""
"7132434","13.41936","0.00017","25.17","0.0003","25.1694","0.0003","90","","90","","90","","8501.35","0.18","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C4 H20 B20 Cl2 O0.06 -","- C4.375 H19.5 B20 Cl3 -","- C70 H312 B320 Cl48 -","16","2","","Chen, Feijing; Guo, Wenjing; Ma, Yan-Na; Chen, Xuenian","9,9'-Bis-<i>o</i>-carboranes: synthesis and exploration of properties.","Chemical communications (Cambridge, England)","2024","60","5","614","617","10.1039/d3cc05041f","","x-ray","1.54184","CuKα","","0.0798","0.0708","","","0.2022","0.2143","","","","","","1.053","","","","has coordinates,has disorder","289336","2024-02-04","11:06:44",""
"7150611","8.3958","0.0002","9.9699","0.0002","19.6247","0.0005","90","","90","","90","","1642.69","0.07","160","1","160","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0497","0.0448","","","0.1095","0.1135","","","","","","1.161","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7151030","7.042","0.003","18.432","0.002","15.5238","0.0013","90","","90","","90","","2015","0.9","193","2","193","2","","","","","","","","3","C 2 2 21","C 2c 2","20","Cyclopropane-1,2-dicarboxylic acid diethyl ester","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Riss, Patrick Johannes; Rösch, Frank","A convenient chemo-enzymatic synthesis and 18F-labelling of both enantiomers of trans-1-toluenesulfonyloxymethyl-2-fluoromethyl-cyclopropane","Organic & Biomolecular Chemistry","2008","6","24","4567","4574","10.1039/b812777h","","","1.54178","CuKα","","0.0665","0.0641","","","0.1708","0.1755","","","","","","1.048","","","","has coordinates,has disorder","180296","2020-10-21","18:00:00",""
"7151649","10.9379","0.0017","12.55","0.002","31.289","0.005","90","","90","","90","","4295.1","1.2","180","2","180","2","","","","","","","","5","C 2 2 21","C 2c 2","20","DHT-T2","","","- C18 H30 N2 O6 Si -","- C18 H30 N2 O6 Si -","- C144 H240 N16 O48 Si8 -","8","1","","Luo, Qun; Wu, Dayong; Liu, Shixiong; Tang, Daihua; Huang, Yong; Liu, Xinhou; Wang, Fuyi; Wang, Ruiyao; Wu, Gang","The formation of thymidine-based T-tetramers with remarkable structural and metal ion size effects.","Organic & biomolecular chemistry","2011","9","4","1030","1033","10.1039/C0OB00520G","","","0.71073","MoKα","","0.0302","0.027","","","0.0694","0.0705","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7152005","16.4686","0.0019","16.933","0.0019","36.391","0.004","90","","90","","90","","10148","2","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C51 H62 Br2 O10 -","- C51 H62 Br2 O10 -","- C408 H496 Br16 O80 -","8","1","","Liu, Luzhi; Cao, Derong; Jin, Yi; Tao, Hongqi; Kou, Yuhui; Meier, Herbert","Efficient synthesis of copillar[5]arenes and their host-guest properties with dibromoalkanes.","Organic & biomolecular chemistry","2011","9","20","7007","7010","10.1039/c1ob05871a","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152189","12.9848","0.0017","17.0304","0.0017","24.393","0.003","90","","90","","90","","5394.2","1.1","298","2","298","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C44 H70 Al2 Br2 Cl4 N2 O4 -","- C44 H70 Al2 Br2 Cl4 N2 O4 -","- C176 H280 Al8 Br8 Cl16 N8 O16 -","4","0.5","","Wang, Chubei; Xu, Chao; Tan, Xiaosong; Peng, Hao; He, Hongwu","The asymmetric synthesis of chiral cyclic α-hydroxy phosphonates and quaternary cyclic α-hydroxy phosphonates.","Organic & biomolecular chemistry","2012","10","8","1680","1685","10.1039/c1ob06669b","","","0.71073","MoKα","","0.0612","0.0424","","","0.0947","0.0997","","","","","","0.934","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152266","13.5209","0.0009","16.5318","0.0012","41.077","0.003","90","","90","","90","","9181.7","1.1","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C55 H43 Cl2 N2 O2 P S -","- C55 H43 Cl2 N2 O2 P S -","- C440 H344 Cl16 N16 O16 P8 S8 -","8","1","","Yuan, Zhiliang; Mei, Liangyong; Wei, Yin; Shi, Min; Kattamuri, Padmanabha V.; McDowell, Patrick; Li, Guigen","Asymmetric catalytic Mannich-type reaction of hydrazones with difluoroenoxysilanes using imidazoline-anchored phosphine ligand-zinc(ii) complexes.","Organic & biomolecular chemistry","2012","10","13","2509","2513","10.1039/c2ob07022g","","","0.71073","MoKα","","0.065","0.0472","","","0.0976","0.1032","","","","","","0.909","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152878","8.1565","0.0008","12.776","0.0015","15.5401","0.0017","90","","90","","90","","1619.4","0.3","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C15 H28 N4 O2 -","- C15 H28 N4 O2 -","- C60 H112 N16 O8 -","4","0.5","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.1156","0.0775","","","0.1471","0.1639","","","","","","1.068","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7153898","10.8393","0.0005","16.7856","0.0003","42.689","0.002","90","","90","","90","","7767","0.5","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C37 H34 Cl2 F12 N2 O3 Si -","- C37 H34 Cl2 F12 N2 O3 Si -","- C296 H272 Cl16 F96 N16 O24 Si8 -","8","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.1354","0.0656","","","0.1412","0.1651","","","","","","0.971","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7154462","11.088","0.002","18.565","0.004","13.258","0.003","90","","90","","90","","2729.1","1","133","2","133","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","","Duda, Blazej; Lentz, Dieter","Simultaneous introduction of trifluoromethyl and λ(6)-pentafluorosulfanyl substituents using F5S-C[triple bond, length as m-dash]C-CF3 as a dienophile.","Organic & biomolecular chemistry","2015","13","20","5625","5628","10.1039/c5ob00610d","","","0.71073","MoKα","","0.0565","0.0476","","","0.115","0.1215","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7155292","14.2702","0.0011","14.2594","0.0007","22.3948","0.0015","90","","90","","90","","4557","0.5","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Aminoalcohol","Aminoalcohol","","- C48 H52 N4 O7 S2 -","- C48 H52 N4 O7 S2 -","- C192 H208 N16 O28 S8 -","4","0.5","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.71073","MoKα","","0.0908","0.0626","","","0.1576","0.1861","","","","","","1.038","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155531","8.3872","0.0017","10.676","0.002","28.705","0.006","90","","90","","90","","2570.3","0.9","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C120 H184 N8 O16 -","8","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.1119","0.0784","","","0.1837","0.1994","","","","","","1.081","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7156408","10.047","0.005","15.961","0.005","24.731","0.005","90","0.005","90","0.005","90","0.005","3966","2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C40 H44 O20 -","- C40 H44 O20 -","- C160 H176 O80 -","4","0.5","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.062","0.0446","","","0.093","0.0997","","","","","","1.053","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7157002","11.09166","0.00008","13.89141","0.00009","34.8221","0.0003","90","","90","","90","","5365.35","0.07","130","2","130","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H37 N3 O2 S -","- C28 H37 N3 O2 S -","- C224 H296 N24 O16 S8 -","8","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0376","0.0373","","","0.0852","0.0853","","","","","","1.161","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157666","35.445","0.007","36.434","0.007","45.806","0.009","90","","90","","90","","59154","2","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C134 H130 Cl6 F6 N18 O19 -","- C134 H130 Cl6 F6 N18 O19 -","- C2144 H2080 Cl96 F96 N288 O304 -","16","2","","Yang, Ling; Ma, Chunmiao; Kauffmann, Brice; Li, Dongyao; Gan, Quan","Absolute handedness control of oligoamide double helices by chiral oxazolylaniline induction.","Organic & biomolecular chemistry","2020","18","34","6643","6650","10.1039/d0ob01503b","","","0.72","MoKa","","0.1293","0.1057","","","0.2866","0.3176","","","","","","1.291","","","","has coordinates","256176","2020-10-21","18:00:00",""
"7158439","11.6413","0.0001","12.8726","0.0001","25.5684","0.0004","90","","90","","90","","3831.52","0.07","293","2","294.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C21 H20 Cl N O6 -","- C21 H20 Cl N O6 -","- C168 H160 Cl8 N8 O48 -","8","1","","Lv, Jie; Li, Zhi-Hong; Deng, An-Jun; Qin, Hai-Lin","A unified total synthesis of benzo[<i>d</i>][1,3]dioxole-type benzylisoquinoline alkaloids of aporphines, coptisines, and dibenzopyrrocolines.","Organic & biomolecular chemistry","2022","20","3","658","666","10.1039/d1ob02258j","","x-ray","1.54184","CuKα","","0.0582","0.0453","","","0.1057","0.1225","","","","","","1.195","","","","has coordinates","272777","2022-02-04","20:03:01",""
"7200797","10.8652","0.0002","10.8969","0.0002","47.0032","0.001","90","","90","","90","","5565.04","0.19","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene","","- C34 H26 N2 S4 -","- C34 H26 N2 S4 -","- C272 H208 N16 S32 -","8","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.0614","0.0572","","","0.1539","0.1558","","","","","","1.208","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7203094","7.2413","0.0002","17.2528","0.0005","12.9833","0.0003","90","","90","","90","","1622.04","0.07","293","","293","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C10 H18 Au Cl Cu N4 O4 -","- C10 H18 Au Cl Cu N4 O4 -","- C40 H72 Au4 Cl4 Cu4 N16 O16 -","4","0.5","","Geisheimer, Andrew R.; Katz, Michael J.; Batchelor, Raymond J.; Leznoff, Daniel B.","Preparation and characterization of two chiral Au(CN)2-based coordination polymers containing (1R,2R)-N,N′-dimethylcyclohexanediamine","CrystEngComm","2007","9","11","1078","","10.1039/b711275k","","","0.71073","MoKα","","0.0554","0.0278","","0.0333","0.0254","0.0254","","","","","","0.7832","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203925","12.369","0.003","13.674","0.002","12.38","0.0016","90","","90","","90","","2093.9","0.7","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C16 H32 Pd2 S2 -","- C16 H32 Pd2 S2 -","- C64 H128 Pd8 S8 -","4","0.5","","Singhal, A.; Jain, V. K.; Mishra, R.; Varghese, Babu","Organochalcogenido-bridged dimeric 2-methylallylpalladium complexes: synthesis, structure and their transformation into palladium chalcogenides","Journal of Materials Chemistry","2000","10","5","1121","","10.1039/a908133j","","","0.71073","MoKα","","0.0213","0.0184","","","0.0448","0.047","","","","","","1.189","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7205466","6.7587","0.0002","19.4871","0.0008","31.012","0.0011","90","","90","","90","","4084.5","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C24 H18 O2 S2 -","- C24 H18 O2 S2 -","- C192 H144 O16 S16 -","8","1","","Jali, Bigyan R.; Singh, Marjit W.; Baruah, J. B.","Polymorphs of aromatic thiolato 1, 2 or 1,4-naphthoquinones","CrystEngComm","2011","13","3","763","","10.1039/c0ce00591f","","","0.71073","MoKα","","0.0944","0.0555","","","0.1529","0.1771","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205565","7.2256","0.0002","11.6583","0.0004","12.7817","0.0004","90","","90","","90","","1076.71","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- B5 Cs2 Li3 O10 -","- B5 Cs2 Li3 O10 -","- B20 Cs8 Li12 O40 -","4","0.5","","Yang, Yun; Pan, Shilie; Hou, Xueling; Wang, Chuanyi; Poeppelmeier, Kenneth R.; Chen, Zhaohui; Wu, Hongping; Zhou, Zhongxiang","A congruently melting and deep UV nonlinear optical material: Li3Cs2B5O10","Journal of Materials Chemistry","2011","21","9","2890","","10.1039/c0jm03187a","","","0.71073","MoKα","","0.0248","0.0246","","","0.0586","0.0587","","","","","","1.036","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7206394","6.6552","0.0002","18.3549","0.0005","8.4346","0.0003","90","","90","","90","","1030.33","0.06","290","","290","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Er N2 O8 -","- C5 H9 Er N2 O8 -","- C20 H36 Er4 N8 O32 -","4","0.5","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0294","0.0224","","","0.0428","0.0439","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7207084","14.406","0.0008","18.0665","0.001","20.624","0.0012","90","","90","","90","","5367.7","0.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C60 H57 Fe N6 O11.5 -","- C60 H57 Fe N6 O11.5 -","- C240 H228 Fe4 N24 O46 -","4","0.5","","Jin, Rui-Fang; Yang, Shi-Yao; Li, Hui-Min; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of ionic radius on the assemblies of first row transition metal‒5-tert-butylisophthalates‒(2,2′-bipyridine or phenanthroline) coordination compounds","CrystEngComm","2012","14","4","1301","","10.1039/c1ce05959a","","","0.71073","MoKα","","0.0669","0.0603","","","0.1556","0.1598","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7207142","4.7998","0.0019","23.277","0.018","30.22","0.02","90","","90","","90","","3376","4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C11 H23 Cd N3 O14 -","- C11 H9 Cd N2 O6 -","- C88 H72 Cd8 N16 O48 -","8","1","","Kong, Guo-Qiang; Wu, Chuan-De","Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties","CrystEngComm","2012","14","3","847","","10.1039/c1ce06052j","","","0.71073","MoKα","","0.1411","0.0882","","","0.2066","0.2357","","","","","","1.067","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7209309","10.02","","7.92","","6.02","","90","","90","","90","","477.738","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","K2 Ag As","","- Ag As K2 -","- Ag As K2 -","- Ag4 As4 K8 -","4","0.5","","Savelsberg, G.; Schaefer, H.","Darstellung und Kristallstruktur von Na2 Cu P, K2 Ag As, K2 Ag Sb und K2 Ag Bi","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","745","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209310","8.79","","7.36","","5.59","","90","","90","","90","","361.642","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Na2 Ag As","","- Ag As Na2 -","- Ag As Na2 -","- Ag4 As4 Na8 -","4","0.5","","Schaefer, H.; Savelsberg, G.","Darstellung und Kristallstruktur von Na2 Ag As und K Cu S","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","711","713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209319","10.56","","8.38","","6.33","","90","","90","","90","","560.159","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Ag Bi K2 -","- Ag Bi K2 -","- Ag4 Bi4 K8 -","4","0.5","","Savelsberg, G.; Schaefer, H.","Darstellung und kristallstruktur von Na2 Cu P, K2 Ag As, K2 Ag Sb und K2 Ag Bi","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","745","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7209345","10.44","","8.29","","6.28","","90","","90","","90","","543.519","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Ag K2 Sb -","- Ag K2 Sb -","- Ag4 K8 Sb4 -","4","0.5","","Schaefer, H.; Savelsberg, G.","Darstellung und kristallstruktur von Na2 Cu P, K2 Ag As, K2 Ag Sb und K2 Ag Bi","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","745","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210489","11.7263","0.001","19.1424","0.001","21.0208","0.0014","90","","90","","90","","4718.5","0.6","223","2","223","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C16 H32 Cu N4 O10 -","- C16 H32 Cu N4 O10 -","- C128 H256 Cu8 N32 O80 -","8","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.053","0.0461","","","0.101","0.1038","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210655","17.362","0.015","7.135","0.006","7.475","0.006","90","","90","","90","","926","1.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H4 N4 O2 Pb -","- C8 H4 N4 O2 Pb -","- C32 H16 N16 O8 Pb4 -","4","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0307","0.03","","","0.0762","0.0766","","","","","","1.112","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210801","8.09","0.005","27.992","0.005","17.987","0.005","90","0.005","90","0.005","90","0.005","4073","3","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cd Cl Cu2 N7 O8 -","- C36 H32 Cd Cl Cu2 N7 O8 -","- C144 H128 Cd4 Cl4 Cu8 N28 O32 -","4","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0486","0.0357","","","0.0952","0.1023","","","","","","1.038","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210932","10.924","0.002","22.372","0.005","20.725","0.004","90","","90","","90","","5065","1.8","153.15","","153.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38 H62 Cu2 N10 O27 P2 -","- C38 H62 Cu2 N10 O27 P2 -","- C152 H248 Cu8 N40 O108 P8 -","4","0.5","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.055","0.0462","","","0.1139","0.1186","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211001","18.365","0.004","21.101","0.005","27.684","0.006","90","","90","","90","","10728","4","296","2","296","2","","","","","","","syn","6","C 2 2 21","C 2c 2","20","complex3","Complex3","","- C78 H114 Cs Cu3 N7 O27 -","- C78 H102 Cs Cu3 N6 O18 -","- C312 H408 Cs4 Cu12 N24 O72 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1373","0.1041","","","0.2668","0.2883","","","","","","0.981","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211002","17.675","0.005","21.173","0.005","26.561","0.005","90","","90","","90","","9940","4","296","2","296","2","","","","","","","synthesis","7","C 2 2 21","C 2c 2","20","Complex5","Complex5","","- C78 H102 Br Cu3 K N6 O23 -","- C78 H102 Br Cu3 K N6 O23 -","- C312 H408 Br4 Cu12 K4 N24 O92 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1428","0.057","","","0.1232","0.1631","","","","","","1.037","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211003","18.5555","0.0012","20.9943","0.0013","27.1327","0.0016","90","","90","","90","","10569.8","1.1","296","2","296","2","","","","","","","syn","7","C 2 2 21","C 2c 2","20","Complex6","Complex6","","- C80 H96 Cu3 I K N6 O27 -","- C80 H96 Cu3 I K N6 O27 -","- C320 H384 Cu12 I4 K4 N24 O108 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1504","0.1101","","","0.3032","0.3224","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211102","5.1665","0.001","18.453","0.004","18.155","0.003","90","","90","","90","","1730.9","0.6","273","2","273","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C15 H8 Ag F3 N2 O4 S -","- C15 H8 Ag F3 N2 O4 S -","- C60 H32 Ag4 F12 N8 O16 S4 -","4","0.5","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0767","0.0667","","","0.1843","0.1935","","","","","","1.034","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211152","18.768","0.009","28.89","0.014","9.479","0.005","90","","90","","90","","5140","4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H24 N3 O7.5 S Zn -","- C24 H19 N3 O6 S Zn -","- C192 H152 N24 O48 S8 Zn8 -","8","1","","Wei, Na; Zhang, Ya-Ru; Han, Zheng-Bo","Thiadiazole-functional porous metal‒organic framework as luminescent probe for Cd2+","CrystEngComm","2013","15","44","8883","","10.1039/c3ce41308j","","","0.71073","MoKα","","0.0933","0.09","","","0.2343","0.2358","","","","","","1.205","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211222","10.408","0.002","25.175","0.003","10.745","0.002","90","","90","","90","","2815.4","0.8","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C22 H40 Br Li N4 O4 -","- C19.84 H4 Br Li N4 O4 -","- C79.36 H16 Br4 Li4 N16 O16 -","4","0.5","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.0696","0.0463","","","0.1184","0.1325","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212139","19.156","0.004","24.075","0.005","32.596","0.007","90","","90","","90","","15033","5","173","2","173","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C109.15 H140 O90.18 -","- C109.155 H140 O90.185 -","- C436.62 H560 O360.74 -","4","0.5","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.1023","0.0512","","","0.111","0.1269","","","","","","0.879","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212241","15.3209","0.0004","20.8764","0.0004","6.7682","0.0002","90","","90","","90","","2164.78","0.09","123","","123","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H28 Cu N2 O4 -","- C24 H28 Cu N2 O4 -","- C96 H112 Cu4 N8 O16 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0248","0.0229","","0.0311","0.024","0.0231","","","","","","0.9826","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212425","10.504","0.002","15.411","0.003","20.264","0.004","90","","90","","90","","3280.3","1.1","293","2","295","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H14 N2 O4 Zn -","- C17 H14 N2 O4 Zn -","- C136 H112 N16 O32 Zn8 -","8","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.0822","0.0416","","","0.0698","0.0886","","","","","","1.068","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212771","3.9147","0.0007","22.823","0.004","15.634","0.003","90","","90","","90","","1396.8","0.4","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C19 H12 N2 O2 -","- C19 H12 N2 O2 -","- C76 H48 N8 O8 -","4","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.1492","0.133","","","0.2422","0.2483","","","","","","1.278","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7213113","10.1723","0.0008","10.502","0.0008","12.964","0.001","90","","90","","90","","1384.94","0.19","200","2","200","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","1,1,2,2-Tetramethyl-1,2-disilacyclodeca-4,8-diyne (8)","","- C12 H20 Si2 -","- C12 H20 Si2 -","- C48 H80 Si8 -","4","0.5","","Haberhauer, Gebhard; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank","Cyclic diynes with tetramethyldisilyl groups in the bridges. Syntheses and properties","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2093","","10.1039/a904409d","","","0.71073","MoKα","","0.0235","0.0228","","0.0614","0.0607","","","","1.1","1.105","1.105","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213712","7.2256","0.0002","11.6583","0.0004","12.7817","0.0004","90","","90","","90","","1076.71","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- B5 Cs2 Li3 O10 -","- B5 Cs2 Li3 O10 -","- B20 Cs8 Li12 O40 -","4","0.5","","Yang, Yun; Su, Xin; Pan, Shilie; Zhang, Min; Wang, Ying; Han, Jian; Yang, Zhihua","Crystal growth and calculation of the electronic band structure and density of states of Li3Cs2B5O10","CrystEngComm","2014","16","10","1978","","10.1039/c3ce42084a","","","0.71073","MoKα","","0.0248","0.0246","","","0.0586","0.0587","","","","","","1.036","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7215492","7.81","0.0013","21.238","0.004","26.989","0.005","90","","90","","90","","4476.6","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F4.005 O2 S8 -","- C112 H144 B8 F32.04 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0486","","","","0.1232","","","","","","1.044","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215493","7.8172","0.0013","21.232","0.004","26.987","0.005","90","","90","","90","","4479.2","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F3.993 O2 S8 -","- C112 H144 B8 F31.944 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0603","","","","0.1421","","","","","","1.041","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215494","7.81","0.0013","21.238","0.004","26.989","0.005","90","","90","","90","","4476.6","1.4","293","","293","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 B F4 O2 S8 -","- C14 H18 B F4 O2 S8 -","- C112 H144 B8 F32 O16 S64 -","8","1","","Martin, Lee; Wallis, John D.; Guziak, Milena A.; Oxspring, Jack; Lopez, Jordan R.; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Stereoisomeric semiconducting radical cation salts of chiral bis(2-hydroxypropylthio)ethylenedithioTTF with tetrafluoroborate anions","CrystEngComm","2014","16","24","5424","","10.1039/c4ce00116h","","","0.71075","MoKα","","","0.0647","","","","0.2003","","","","","","1.299","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7218239","6.159","0.001","18.715","0.002","15.977","0.002","90","","90","","90","","1841.6","0.4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C21 H20 N6 O -","- C21 H20 N6 O -","- C84 H80 N24 O4 -","4","0.5","","Benyei, Attila; Stirling, Andras; Bostai, Beatrix; Lőrincz, Krisztián; Kotschy, Andras","Out of cross-conjugation: The unexpected structure of tetrazinones","RSC Adv.","2014","","","","","10.1039/C4RA05616G","","","0.71073","MoKα","","0.0537","0.0442","","","","0.1305","","","","","","0.801","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218568","16.646","0.009","29.783","0.016","17.274","0.009","90","","90","","90","","8564","8","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H22 Cd4 N14 O14 -","- C30 H22 Cd4 N14 O14 -","- C240 H176 Cd32 N112 O112 -","8","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun","Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence","CrystEngComm","2014","16","48","11078","","10.1039/C4CE01959H","","","0.71073","MoKα","","0.0614","0.0578","","","0.1732","0.1795","","","","","","1.081","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7219121","5.3146","0.0008","11.977","0.0018","19.719","0.003","90","","90","","90","","1255.2","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H12 Cd O6 -","- C12 H12 Cd O6 -","- C48 H48 Cd4 O24 -","4","0.5","","Sun, Qian; Cheng, Ai-Ling; Wang, Kun; Yi, Xiu-Chun; Gao, En-Qing","Chiral or achiral: four isomeric Cd(ii) coordination polymers based on phenylenediacrylate ligands","CrystEngComm","2015","17","6","1389","","10.1039/C4CE02019G","","","0.71073","MoKα","","0.0212","0.0181","","","0.0459","0.0472","","","","","","1.088","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219257","11.08","0.002","22.178","0.004","16.849","0.003","90","","90","","90","","4140.3","1.3","295","2","295","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C44 H42 N6 P2 Ru S2 -","- C44 H42 N6 P2 Ru S2 -","- C176 H168 N24 P8 Ru4 S8 -","4","0.5","","Ramachandran, Rangasamy; Prakash, Govind; Selvamurugan, Sellappan; Viswanathamurthi, Periasamy; Malecki, Jan; Linert, Wolfgang; Gusev, Alexey N.","Ruthenium(II) Complexes Containing Phosphine-Functionalized Thiosemicarbazone Ligand: Synthesis, Structures and Catalytic C-N Bond Formation Reactions via N-alkylation","RSC Adv.","2015","","","","","10.1039/C4RA14797A","","","0.71073","MoKα","","0.0343","0.0328","","","0.0789","0.0795","","","","","","1.096","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7220608","15.028","0.017","23.16","0.02","13.417","0.014","90","","90","","90","","4670","8","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H60 Ni6 S12 -","- C28 H60 Ni6 S12 -","- C112 H240 Ni24 S48 -","4","0.5","","Tan, Chunhong; Jin, Meiliang; Zhang, Hao; Hu, Shengmin; Sheng, Tianlu; Wu, Xintao","Penta and hexanuclear nickel tiara-like clusters with two different thiolate bridges","CrystEngComm","2015","17","27","5110","","10.1039/C5CE00863H","","","0.71073","MoKα","","0.103","0.0754","","","0.1878","0.21","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7224104","14.0217","0.0002","31.3444","0.0005","27.9952","0.0004","90","","90","","90","","12303.9","0.3","223","2","223","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C28 H18 Br2 N2 O8 Zn2 -","- C28 H18 Br2 N2 O8 Zn2 -","- C448 H288 Br32 N32 O128 Zn32 -","16","2","","Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun","Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand","CrystEngComm","2016","18","8","1363","","10.1039/C5CE02314A","","","1.54184","CuKα","","0.1382","0.1373","","","0.3158","0.3162","","","","","","1.137","","","","has coordinates,has disorder","177757","2020-10-21","18:00:00",""
"7224154","14.7","0.013","9.771","0.008","8.414","0.007","90","","90","","90","","1208.5","1.8","143","2","143","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","0.5","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0386","0.0374","","","0.0885","0.0893","","","","","","1.086","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224267","9.845","0.003","22.697","0.006","15.055","0.004","90","","90","","90","","3364.1","1.6","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C30 H32 N4 O10 Zn -","- C30 H32 N4 O10 Zn -","- C120 H128 N16 O40 Zn4 -","4","0.5","","Tanaka, Koichi; Muraoka, Toshihide; Otsubo, Yasuhiro; Takahashi, Hiroki; Ohnish, Atsushi","HPLC Enantioseparation on Homochiral MOF-Silica Composite as a Novel Chiral Stationary Phase","RSC Adv.","2016","","","","","10.1039/C5RA26520G","","","0.71075","MoKα","","0.0333","0.028","","","0.0538","0.0548","","","","","","0.859","","","","has coordinates,has disorder","176499","2020-10-21","18:00:00",""
"7226503","17.8961","0.0019","31.932","0.003","25.078","0.003","90","","90","","90","","14331","3","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","2-Pr","","","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C192 H160 Cu32 I32 N32 Na8 O100 Pr8 -","4","0.5","","Hu, Yue-Qiao; Li, Mu-Qing; Li, Teng; Wang, Yan-Yan; Zheng, Zhiping; Zheng, Yan-Zhen","An alkali-ion insertion approach to structurally transform metal‒organic frameworks","CrystEngComm","2016","18","40","7680","","10.1039/C6CE00540C","","","0.71073","MoKα","","0.106","0.0862","","","0.2128","0.229","","","","","","1.06","","","","has coordinates","188092","2020-10-21","18:00:00",""
"7226570","10.5415","0.0004","23.0604","0.0013","35.42","0.0014","90","","90","","90","","8610.3","0.7","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C69 H78 Cl6 Hg3 N18 O15 -","- C69 H78 Cl6 Hg3 N18 O15 -","- C276 H312 Cl24 Hg12 N72 O60 -","4","0.5","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","0.71073","MoKα","","0.0862","0.0844","","","0.2068","0.2076","","","","","","1.005","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7227528","17.8961","0.0019","31.932","0.003","25.078","0.003","90","","90","","90","","14331","3","150","2","150","2","","","","","","","","8","C 2 2 21","C 2c 2","20","2-Pr","","","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C48 H40 Cu8 I8 N8 Na2 O25 Pr2 -","- C192 H160 Cu32 I32 N32 Na8 O100 Pr8 -","4","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.106","0.0862","","","0.2128","0.229","","","","","","1.06","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7227529","17.889","0.002","31.835","0.004","24.831","0.003","90","","90","","90","","14141","3","150","2","150","2","","","","","","","","9","C 2 2 21","C 2c 2","20","2-Nd","","","- C48 H40 Cl0 Cu8 I8 N8 Na2 Nd2 O25 -","- C48 H40 Cu8 I8 N8 Na2 Nd2 O25 -","- C192 H160 Cu32 I32 N32 Na8 Nd8 O100 -","4","0.5","","Hu, Yue-Qiao; Zhang, Tao; Li, Mu-Qing; Wang, Yanyan; Zheng, Zhiping; Zheng, Yan-Zhen","Copper(i)/(ii)-redox triggered efficient and green rare-earth separation using a heterometallic metal‒organic framework","Green Chem.","2017","19","5","1250","","10.1039/C6GC02833K","","","0.71073","MoKα","","0.1594","0.0853","","","0.2168","0.2635","","","","","","1.071","","","","has coordinates","195138","2020-10-21","18:00:00",""
"7228834","7.937","0.0007","21.4936","0.0016","27.622","0.003","90","","90","","90","","4712.2","0.7","298","","298","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 O2 P S8 -","- C14 H18 F6 O2 P S8 -","- C112 H144 F48 O16 P8 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","","0.0517","","","","0.1618","","","","","","1.199","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228835","7.8561","0.0006","21.2753","0.0016","27.155","0.002","90","","90","","90","","4538.7","0.6","296","","296","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C14 H18 Cl O6 S8 -","- C14 H18 Cl O6.005 S8 -","- C112 H144 Cl8 O48.04 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","","0.0589","","","","0.1424","","","","","","1.052","","","","has coordinates","199479","2020-10-21","18:00:00",""
"7228836","7.707","0.016","21.04","0.04","26.59","0.05","90","","90","","90","","4312","15","100","","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C14 H18 Cl O6 S8 -","- C14 H18 Cl O6 S8 -","- C112 H144 Cl8 O48 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.6889","","","0.2257","0.1393","","","0.3193","0.3991","","","","","","1.031","","","","has coordinates,has disorder","199479","2020-10-21","18:00:00",""
"7228837","7.8564","0.0018","21.389","0.005","27.036","0.006","90","","90","","90","","4543.1","1.8","100","","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 O2 P S8 -","- C14 H18 F6 O2 P S8 -","- C112 H144 F48 O16 P8 S64 -","8","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J.","New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF","CrystEngComm","2017","","","","","10.1039/C7CE01014A","","","0.71075","MoKα","","0.07","0.0678","","","0.155","0.1568","","","","","","1.205","","","","has coordinates,has disorder","199479","2020-10-21","18:00:00",""
"7229220","4.9123","0.0006","20.333","0.002","23.505","0.003","90","","90","","90","","2347.7","0.5","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H24 Ca I2 N6 O7 -","- C12 H24 Ca I2 N6 O7 -","- C48 H96 Ca4 I8 N24 O28 -","4","0.5","","Shemchuk, Oleksii; Degli Esposti, Lorenzo; Grepioni, Fabrizia; Braga, Dario","Ionic co-crystals of enantiopure and racemic histidine with calcium halides","CrystEngComm","2017","","","","","10.1039/C7CE01326D","","","0.71073","MoKα","","0.1619","0.0698","","","0.0831","0.1058","","","","","","1.038","","","","has coordinates","201157","2020-10-21","18:00:00",""
"7230004","9.746","0.002","19.123","0.004","19.154","0.004","90","","90","","90","","3569.8","1.3","153","2","153","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C25 H18 Fe N2 -","- C25 H17 Fe N2 -","- C200 H136 Fe8 N16 -","8","1","","Wu, Pei; Wang, Guo; Zhou, Lu; Lu, Jing; Wang, Jianchun","The first colorimetric receptor for the B4O72− anion based on nitro substituted phenanthroimidazole ferrocene derivatives","RSC Advances","2018","8","7","3782","","10.1039/C7RA12700F","","","0.71073","MoKα","","0.0724","0.0541","","","0.1115","0.1207","","","","","","1.003","","","","has coordinates","205428","2020-10-21","18:00:00",""
"7230338","13.7071","0.0005","14.3458","0.0008","20.3751","0.0008","90","","90","","90","","4006.5","0.3","100.6","0.4","100.6","0.4","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C32 H46 Cu2 N10 O13 -","- C32 H46 Cu2 N10 O12.99 -","- C128 H184 Cu8 N40 O51.96 -","4","0.5","","Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio","Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers","CrystEngComm","2018","20","17","2396","","10.1039/C8CE00210J","","x-ray","1.54184","CuKα","","0.0737","0.0606","","","0.1486","0.1603","","","","","","1.039","","","","has coordinates,has disorder","228997","2020-10-21","18:00:00",""
"7231927","22.4236","0.0008","29.6641","0.0011","15.5246","0.0006","90","","90","","90","","10326.6","0.7","149","2","149","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C101 H86 Cu2 N5 O21 -","- C101 H86 Cu2 N5 O21 -","- C404 H344 Cu8 N20 O84 -","4","0.5","","Tanaka, Koichi; Kawakita, Tomohiro; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia","A novel homochiral metal‒organic framework with an expanded open cage based on (R)-3,3′-bis(6-carboxy-2-naphthyl)-2,2′-dihydroxy-1,1′-binaphthyl: synthesis, X-ray structure and efficient HPLC enantiomer separation","CrystEngComm","2019","21","3","487","","10.1039/C8CE01791C","","","1.54178","CuKα","","0.1192","0.1099","","","0.2886","0.3169","","","","","","1.449","","","","has coordinates","223737","2020-10-21","18:00:00",""
"7234693","14.8977","0.0004","29.2369","0.0009","12.7603","0.0005","90","","90","","90","","5557.9","0.3","100","2","100.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C55 H49 Cu N3 O14 -","- C56.333 H42 Cu N2 O14 -","- C225.332 H168 Cu4 N8 O56 -","4","0.5","","Fairbairn, Robyn E.; Teat, Simon J.; Ling, Irene; Dalgarno, Scott J.","Investigations into the assembly behaviour of a ‘rigidified’ p-carboxylatocalix[4]arene","CrystEngComm","2019","21","43","6659","","10.1039/C9CE01326A","","","0.7749","Synchrotron","","0.0707","0.0654","","","0.1786","0.1843","","","","","","1.062","","","","has coordinates,has disorder","223533","2020-10-21","18:00:00",""
"7234941","34.2069","0.0007","57.0341","0.0009","12.1673","0.0002","90","","90","","90","","23737.9","0.7","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C72.79 H45.79 Fe3 N4.36 O13 S6 -","- C72.79 H45.79 Fe3 N4.358 O13 S6 -","- C582.32 H366.32 Fe24 N34.864 O104 S48 -","8","1","","Vicent-Morales, María; Vitórica-Yrezábal, Iñigo J.; Souto, Manuel; Mínguez Espallargas, Guillermo","Influence of interpenetration on the flexibility of MUV-2","CrystEngComm","2019","21","19","3031","","10.1039/C9CE00233B","","x-ray","0.6889","Synchrotron","","0.1221","0.1143","","","0.3166","0.3262","","","","","","1.37","","","","has coordinates,has disorder","223249","2020-10-21","18:00:00",""
"7235306","8.953","0.003","13.508","0.006","27.663","0.011","90","","90","","90","","3345","2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C36 H34 N2 O10 S2 -","- C36 H34 N2 O10 S2 -","- C144 H136 N8 O40 S8 -","4","0.5","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.105","0.085","","","0.2097","0.2233","","","","","","1.058","","","","has coordinates","232680","2020-10-21","18:00:00",""
"7235307","9.104","0.007","13.55","0.01","28.2","0.02","90","","90","","90","","3479","4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C36 H34 N2 O10 S2 -","- C36 H34 N2 O10 S2 -","- C144 H136 N8 O40 S8 -","4","0.5","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.1527","0.0774","","","0.1685","0.205","","","","","","1.022","","","","has coordinates","232680","2020-10-21","18:00:00",""
"7236275","12.9969","0.0004","17.0693","0.0008","23.6874","0.0007","90","","90","","90","","5255","0.3","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H20 Cl3 F N O3 -","- C24 H20 Cl3 F N O3 -","- C192 H160 Cl24 F8 N8 O24 -","8","1","","Ren, Wen; Wang, Xiao-Yan; Li, Jing-Jing; Tian, Mao; Liu, Jie; Ouyang, Liang; Wang, Jin-Hui","Efficient construction of biologically important functionalized polycyclic spiro-fused carbocyclicoxindoles via an asymmetric organocatalytic quadruple-cascade reaction","RSC Advances","2017","7","4","1863","","10.1039/C6RA24910H","","","1.54184","CuKα","","0.1865","0.1558","","","0.3569","0.3935","","","","","","1.305","","","","has coordinates","235344","2020-10-21","18:00:00",""
"7237087","9.9885","0.0002","11.9939","0.0002","14.1518","0.0003","90","","90","","90","","1695.4","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H22 Cu2 O13 -","- C10 H22 Cu2 O13 -","- C40 H88 Cu8 O52 -","4","0.5","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0225","0.0213","","","0.0489","0.0494","","","","","","1.053","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7237259","12.7239","0.0014","13.7587","0.0016","14.5684","0.0013","90","","90","","90","","2550.4","0.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H12 Ag7 N19 O9 -","- C8 H12 Ag7 N19 O9 -","- C32 H48 Ag28 N76 O36 -","4","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0924","0.0489","","","0.0694","0.0804","","","","","","1.033","","","","has coordinates","237535","2020-10-21","18:00:00",""
"7239736","16.135","0.003","11.499","0.004","19.456","0.005","90","","90","","90","","3609.8","1.7","273","2","273","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C42 H48 O6 -","- C42 H48 O6 -","- C168 H192 O24 -","4","0.5","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0768","0.0516","","","0.1332","0.1506","","","","","","1.022","","","","has coordinates,has disorder","246603","2020-10-21","18:00:00",""
"7240249","11.4298","0.0007","17.5953","0.0009","23.3164","0.0013","90","","90","","90","","4689.2","0.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23 H22 Co N3 O6.5 -","- C23 H21 Co N3 O6.5 -","- C184 H168 Co8 N24 O52 -","8","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.0356","0.0311","","","0.0741","0.0757","","","","","","1.021","","","","has coordinates,has disorder","250032","2020-10-21","18:00:00",""
"7240250","11.4166","0.0009","17.5949","0.0013","23.3418","0.0016","90","","90","","90","","4688.8","0.6","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C23 H22 Co N3 O6.5 -","- C23 H21 Co N3 O6.5 -","- C184 H168 Co8 N24 O52 -","8","1","","Ma, Yu-Lu; Meng, Qin; Xu, Zhong-Xuan","Semi-conductive helical homochiral metal−organic frameworks based on enantiomeric proline derivatives","CrystEngComm","2020","","","","","10.1039/D0CE00262C","","x-ray","0.71073","MoKα","","0.035","0.0316","","","0.0809","0.0822","","","","","","1.004","","","","has coordinates,has disorder","250032","2020-10-21","18:00:00",""
"7240700","9.8805","0.0001","12.7554","0.0002","17.4319","0.0002","90","","90","","90","","2196.94","0.05","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C11 H15 N3 O -","- C11 H15 N3 O -","- C88 H120 N24 O8 -","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","","0.043","0.0415","","","0.1083","0.1094","","","","","","1.069","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7244099","14.717","0.0006","14.3696","0.0006","23.7326","0.001","90","","90","","90","","5018.9","0.4","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C45 H49 Eu3 N12 O24 S4 -","- C33 H9 Eu3 N8 O20 S4 -","- C132 H36 Eu12 N32 O80 S16 -","4","0.5","","He, Qi-Qi; Yao, Shu-Li; Zheng, Teng-Fei; Xu, Hui; Liu, Sui-Jun; Chen, Jing-Lin; Li, Na; Wen, He-Rui","A multi-responsive luminescent sensor based on a stable Eu(iii) metal–organic framework for sensing Fe3+, MnO4−, and Cr2O72− in aqueous solutions","CrystEngComm","2022","24","5","1041","1048","10.1039/D1CE01503F","","","0.71073","MoKα","","0.0397","0.0384","","","0.1154","0.1166","","","","","","1.123","","","","has coordinates,has disorder","272614","2022-02-04","19:20:15",""
"7244302","11.7838","0.0003","47.9476","0.0014","9.0077","0.0002","90","","90","","90","","5089.4","0.2","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C16 H17 Cs F8 O16.5 Sc -","- C16 Cs F8 O16.5 Sc -","- C128 Cs8 F64 O132 Sc8 -","8","1","","Cheplakova, Anastasia M.; Samsonenko, Denis G.; Lazarenko, Vladimir; Dorovatovskii, Pavel; Zubavichus, Yan; Khrustalev, Victor N.; Rakhmanova, Marianna I.; Fedin, Vladimir P.","Synthesis, supramolecular isomerism, and photoluminescence of scandium(III) complexes with tetrafluoroterephthalate ligand","CrystEngComm","2022","","","","","10.1039/D1CE01689J","","x-ray","0.71073","MoKα","","0.0675","0.0642","","","0.1696","0.1743","","","","","","1.065","","","","has coordinates,has disorder","272261","2022-01-26","23:42:54",""
"7244307","8.916","0.0018","22.953","0.005","19.545","0.004","90","","90","","90","","3999.9","1.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H48 N4 O29 P2 -","- C18 H48 N4 O29 P2 -","- C72 H192 N16 O116 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.1342","0.09","","","0.2113","0.2354","","","","","","1.116","","","","has coordinates","272308","2022-01-28","01:56:49",""
"7244308","8.924","0.003","22.99","0.01","19.456","0.008","90","","90","","90","","3992","3","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H28 N4 Na2 O35 P2 -","- C18 H28 N4 Na2 O35 P2 -","- C72 H112 N16 Na8 O140 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.1316","0.1269","","","0.3455","0.3564","","","","","","1.854","","","","has coordinates,has disorder","272308","2022-01-28","01:56:50",""
"7244309","8.917","0.003","22.854","0.009","19.353","0.007","90","","90","","90","","3944","2","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H22 N4 Na3 O36 P2 -","- C18 H22 N4 Na3 O36 P2 -","- C72 H88 N16 Na12 O144 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.121","0.1186","","","0.3427","0.3481","","","","","","1.978","","","","has coordinates,has disorder","272308","2022-01-28","01:56:50",""
"7244310","8.9287","0.0013","22.941","0.003","19.433","0.003","90","","90","","90","","3980.5","1","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H22 N4 Na4 O32 P2 -","- C18 H22 N4 Na4 O32 P2 -","- C72 H88 N16 Na16 O128 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.1098","0.1077","","","0.3096","0.3146","","","","","","1.725","","","","has coordinates,has disorder","272308","2022-01-28","01:56:50",""
"7245164","12.8973","0.0011","13.329","0.0011","10.574","0.0009","90","","90","","90","","1817.8","0.3","298","","298","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H18 B F2 I N2 -","- C19 H18 B F2 I N2 -","- C76 H72 B4 F8 I4 N8 -","4","0.5","","Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin","Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks","CrystEngComm","2022","","","","","10.1039/D2CE00776B","","x-ray","0.71073","MoKα","","0.0305","0.0274","","","0.0666","0.068","","","","","","1.016","","","","has coordinates","276815","2022-07-22","23:31:34",""
"7247826","10.7744","0.0004","25.5061","0.0011","31.6431","0.0012","90","","90","","90","","8695.9","0.6","296.15","","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C27 H35 Cd N8 O14 P -","- C27 H35 Cd N8 O14 P -","- C216 H280 Cd8 N64 O112 P8 -","8","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0601","0.0407","","","0.0922","0.0994","","","","","","1.032","","","","has coordinates,has disorder","289457","2024-02-04","11:41:59",""
"7247844","16.832","0.0014","14.5894","0.0016","23.725","0.003","90","","90","","90","","5826.1","1.1","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C32 H22 Co2 N4 O9 S6 -","- C32 H22 Co2 N4 O9 S6 -","- C128 H88 Co8 N16 O36 S24 -","4","0.5","","Duan, Chun-Pu; Ni, Ya-Lu; Yang, Xu-Dong; Huang, Jing-Yu; Shen, Yong-Hui; Gu, Xun-Gang; Ni, Gang; Ma, Miao-Lian; Li, Juan; Qin, Ling","Electrocatalytic hydrogen evolution of MOF-derived materials based on conjugated or unconjugated ligands","CrystEngComm","2024","26","3","370","380","10.1039/D3CE00829K","","","0.71073","MoKα","","0.1094","0.0962","","","0.2823","0.2921","","","","","","1.134","","","","has coordinates","289456","2024-02-04","11:41:27",""
"7700007","16.0989","0.0007","16.9738","0.0007","13.3829","0.0006","90","","90","","90","","3657","0.3","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Hf(3,4,3-HOPO) trihydrate","","","- C34 H40 Hf N8 O15 -","- C34 H40 Hf N8 O15 -","- C136 H160 Hf4 N32 O60 -","4","0.5","","Deblonde, Gauthier J.-P.; Lohrey, Trevor D.; Abergel, Rebecca J.","Inducing selectivity and chirality in group IV metal coordination with high-denticity hydroxypyridinones.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8238","8247","10.1039/c9dt01031a","","","0.7749","synchrotron","","0.018","0.0176","","","0.0458","0.0461","","","","","","1.104","","","","has coordinates,has disorder","224433","2020-10-21","18:00:00",""
"7700481","10.9254","0.001","16.9935","0.0015","28.235","0.003","90","","90","","90","","5242.1","0.9","","","","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C27 H23 Cl N2 O3 Pd S -","- C27 H21 Cl N2 O3 Pd S -","- C216 H168 Cl8 N16 O24 Pd8 S8 -","8","1","","You, Fen; Liu, Hui; Luo, Gen; Shi, Xiaochao","Tridentate diarylamido-based pincer complexes of nickel and palladium: sidearm effects in the polymerization of norbornene.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12219","12227","10.1039/c9dt02361e","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","223922","2020-10-21","18:00:00",""
"7701197","21.876","0.006","20.204","0.005","56.153","0.014","90","","90","","90","","24819","11","296.15","","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H91 Dy2 N14.5 Na3 O32 -","- C96 H91 Dy2 N14.5 Na3 O32 -","- C768 H728 Dy16 N116 Na24 O256 -","8","1","","Li, Ge; Wang, Li; Han, Qingxin; Liu, Weisheng","Construction of homochiral alkaline-lanthanide heteronuclear helicates with Na<sup>+</sup>-selective bonding in the self-assembly process.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14595","14599","10.1039/c9dt02483b","","","0.71073","MoKα","","0.0636","0.0593","","","0.131","0.1328","","","","","","1.095","","","","has coordinates,has disorder","224040","2020-10-21","18:00:00",""
"7701199","20.2482","0.0002","21.6632","0.0002","55.8238","0.0006","90","","90","","90","","24486.6","0.4","119.99","0.1","119.99","0.1","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C203 H213 Cl2 Dy4 N34 Na6 O72 -","- C203 H213 Cl2 Dy4 N34 Na6 O72 -","- C812 H852 Cl8 Dy16 N136 Na24 O288 -","4","0.5","","Li, Ge; Wang, Li; Han, Qingxin; Liu, Weisheng","Construction of homochiral alkaline-lanthanide heteronuclear helicates with Na<sup>+</sup>-selective bonding in the self-assembly process.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14595","14599","10.1039/c9dt02483b","","x-ray","1.54184","CuKα","","0.0479","0.0445","","","0.1221","0.1243","","","","","","1.064","","","","has coordinates,has disorder","224040","2020-10-21","18:00:00",""
"7701512","13.8143","0.0011","31.128","0.003","11.9196","0.001","90","","90","","90","","5125.6","0.8","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C72 H114 N8 Ni8 O37 -","- C72 H102 N8 Ni8 O37 -","- C144 H204 N16 Ni16 O74 -","2","0.25","","Mayans, Julia; Athanasopoulou, Angeliki A.; Pham, Amy Trinh; Font-Bardia, Mercè; Mazarakioti, Eleni C.; Pilkington, Melanie; Stamatatos, Theocharis C.; Escuer, Albert","{Ni<sub>4</sub>} Cubanes from enantiomerically pure 2-(1-hydroxyethyl)pyridine ligands: supramolecular chirality.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10427","10434","10.1039/c9dt01026b","","","0.71073","MoKα","","0.0594","0.0452","","","0.1093","0.1181","","","","","","1.065","","","","has coordinates","223293","2020-10-21","18:00:00",""
"7705177","13.7621","0.0004","21.9194","0.0004","19.9436","0.0004","90","","90","","90","","6016.1","0.2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","[Cu(NNN-ligand)]2 (Me4N)2 DMF","The asymmetric of methyland allyl groups in 2,6-positions of phenyl ring led to conformational isomer disorder with occypancies of 0.60 and 0.40 in this structure. The final refinement of disordered model of cation Me4N+ gave occupancies of 0.54 and 0.46. The DMF molecule was located in a symmetric position so that the occupancies of this molecule were set to half manually. The bond lengths, bond angles and the temperature factors of disordered DMF were restrained by using commands of DFIX and DELU & SIMU. The temperature of other disordered atoms was avaraged by DELU & SIMU commands only. All the hydrogen atoms were added geometrically.","","- C65 H81 Cu2 N9 O5 -","- C65 H81 Cu2 N9 O5 -","- C260 H324 Cu8 N36 O20 -","4","0.5","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.0578","0.0538","","","0.146","0.1511","","","","","","1.033","","","","has coordinates,has disorder","257559","2020-10-21","18:00:00",""
"7705728","8.5623","0.0006","18.844","0.001","28.796","0.002","90","","90","","90","","4646.2","0.5","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H38 Bi2 I9 N3 O4 -","- C23 H38 Bi2 I9 N3 O4 -","- C92 H152 Bi8 I36 N12 O16 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","x-ray","0.71073","MoKα","","0.0478","0.0346","","","0.0806","0.0827","","","","","","0.954","","","","has coordinates,has disorder","258731","2020-11-04","20:00:41",""
"7705729","8.5313","0.0005","18.8548","0.001","28.583","0.002","90","","90","","90","","4597.7","0.5","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H38 I9 N3 O4 Sb2 -","- C23 H38 I9 N3 O4 Sb2 -","- C92 H152 I36 N12 O16 Sb8 -","4","0.5","","Möbs, Jakob; Gerhard, Marina; Heine, Johanna","(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14397","14400","10.1039/d0dt03427d","","","0.71073","MoKα","","0.103","0.0622","","","0.1449","0.1647","","","","","","1.027","","","","has coordinates,has disorder","258731","2020-11-04","20:00:42",""
"7705783","9.3283","0.0009","30.151","0.003","9.6156","0.0009","90","","90","","90","","2704.5","0.5","296","2","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C4 H16 N25 Na5 O5 S2 -","- C4 H16 N25 Na5 O5 S2 -","- C16 H64 N100 Na20 O20 S8 -","4","0.5","","Cao, Yuteng; Huang, Shiliang; Zhang, Qinghua; Zhang, Wenquan","A pentazolate-based bowl-shaped molecular container.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17542","17546","10.1039/d0dt03669b","","","0.71073","MoKα","","0.0502","0.0407","","","0.0874","0.094","","","","","","1.05","","","","has coordinates","260754","2021-01-07","06:19:36",""
"7706277","11.629","0.002","20.973","0.004","14.17","0.003","90","","90","","90","","3456","1.2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Eu O22.5 U5.5 -","- Eu O22.5 U5.5 -","- Eu8 O180 U44 -","8","1","","Lu, Kimbal T.; Zhang, Yingjie; Aughterson, Robert D.; Zheng, Rongkun","Uranyl oxide hydrate frameworks with lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15854","15863","10.1039/d0dt02944k","","","0.71089","silicondoublecrystalmonochromatedsynchrotron","","0.039","0.0384","","","0.1028","0.1032","","","","","","1.122","","","","has coordinates,has disorder","260516","2021-01-05","07:30:12",""
"7706278","11.624","0.002","20.972","0.004","14.181","0.003","90","","90","","90","","3457","1.2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- Gd O22 U5.5 -","- Gd O22 U5.5 -","- Gd8 O176 U44 -","8","1","","Lu, Kimbal T.; Zhang, Yingjie; Aughterson, Robert D.; Zheng, Rongkun","Uranyl oxide hydrate frameworks with lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15854","15863","10.1039/d0dt02944k","","","0.71089","silicondoublecrystalmonochromatedsynchrotron","","0.0435","0.0431","","","0.1129","0.1136","","","","","","1.094","","","","has coordinates","260516","2021-01-05","07:30:12",""
"7707271","14.056","0.002","16.625","0.003","15.563","0.002","90","","90","","90","","3636.8","1","293","","293","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C36 H45 N3 P2 Si2 -","- C36 H45 N3 P2 Si2 -","- C144 H180 N12 P8 Si8 -","4","0.5","","Jha, Vikesh Kumar; Das, Sanghamitra; Subramaniyan, Vasudevan; Guchhait, Tapas; Dakua, Kishan Kumar; Mishra, Sabyashachi; Mani, Ganesan","Synthesis, structural characterization, and bonding analysis of two-coordinate copper(I) and silver(I) complexes of pyrrole-based bis(phosphinimine): new metal-pyrrole ring π-interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8036","8044","10.1039/d1dt01091c","","","0.71073","MoKα","","0.031","0.0281","","","0.0717","0.0739","","","","","","1.081","","","","has coordinates","267200","2021-07-05","17:45:17",""
"7707329","10.2471","0.0002","43.0335","0.0008","10.3618","0.0002","90","","90","","90","","4569.23","0.15","293","2","293","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C56 H42 K N O8 -","- C56 H42 K N O8 -","- C224 H168 K4 N4 O32 -","4","0.5","","Yang, Qianqian; Wang, Yijie; Yang, Jianjian; Yin, Jianbo; Liu, Di; Liu, Ning; Wang, Rongming; Sun, Daofeng; Li, Xiyou; Jiang, Jianzhuang","An anionic potassium-organic framework for selective removal of uranyl ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8314","8321","10.1039/d1dt00822f","","x-ray","1.54178","CuKα","","0.0449","0.0424","","","0.1232","0.1274","","","","","","1.035","","","","has coordinates,has disorder","267136","2021-07-05","17:26:07",""
"7710671","12.6075","0.0005","19.6716","0.0006","19.2268","0.0006","90","","90","","90","","4768.4","0.3","99.99","0.1","100.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H40 N10 Na2 O27 V4 -","- C24 H28 N10 Na2 O21 V4 -","- C96 H112 N40 Na8 O84 V16 -","4","0.5","","Xie, Zhenlang; An, Dongli; Weng, Weizheng; Zhou, Zhao-Hui","Successive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorptions","Dalton Transactions","2022","","","","","10.1039/D2DT01360F","","","1.54184","CuKα","","0.0787","0.0736","","","0.2013","0.2087","","","","","","1.042","","","","has coordinates","276501","2022-07-02","22:53:23",""
"7711440","8.3053","0.0015","9.533","0.0018","30.667","0.006","90","","90","","90","","2428","0.8","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H20.44 I4 N6 O4.22 Pb -","- C12 H20.44 I4 N6 O4.22 Pb -","- C48 H81.76 I16 N24 O16.88 Pb4 -","4","0.5","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Gumienna-Kontecka, Elzbieta; Shova, Sergiu; Gural'skiy, Il'ya A.","Chiral 2D organic-inorganic hybrid perovskites based upon L-histidine","Dalton Transactions","2022","","","","","10.1039/D2DT03025J","","x-ray","0.71073","MoKα","","0.1001","0.0524","","","0.0654","0.0794","","","","","","0.984","","","","has coordinates","278373","2022-10-05","22:40:41",""
"7711441","9.2006","0.0006","7.8434","0.0006","29.935","0.002","90","","90","","90","","2160.2","0.3","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C12 H20 Br4 N6 O4 Pb -","- C12 H20 Br4 N6 O4 Pb -","- C48 H80 Br16 N24 O16 Pb4 -","4","0.5","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Gumienna-Kontecka, Elzbieta; Shova, Sergiu; Gural'skiy, Il'ya A.","Chiral 2D organic-inorganic hybrid perovskites based upon L-histidine","Dalton Transactions","2022","","","","","10.1039/D2DT03025J","","x-ray","0.71073","MoKα","","0.1264","0.0875","","","0.1883","0.2121","","","","","","1.157","","","","has coordinates","278373","2022-10-05","22:40:41",""
"7715112","21.6885","0.0009","51.788","0.002","42.6164","0.0018","90","","90","","90","","47867","3","273","2","273","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C316 H272 Cl56 Eu4 F36 N60 O48 S12 -","- C276 H216 Eu4 N60 O12 -","- C1104 H864 Eu16 N240 O48 -","4","0.5","","Guo, Xiao-Qing; Zhou, Li-Peng; Hu, Shao-Jun; Sun, Qing-Fu","Subtle adjustments for constructing multi-nuclear luminescent lanthanide organic polyhedra with triazole-based chelates","Dalton Transactions","2024","53","10","4772","4780","10.1039/D3DT03791F","","","0.62298","Synchrotron","","0.0875","0.0679","","","0.1911","0.2044","","","","","","1.021","","","","has coordinates","290920","2024-04-04","23:19:58",""
"7715438","24.0995","0.0017","31.488","0.003","12.9587","0.0008","90","","90","","90","","9833.6","1.3","173","2","173.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C92 H20 B4 F40 N8 -","- C92 H20 B4 F40 N8 -","- C368 H80 B16 F160 N32 -","4","0.5","","Nguyen, Tony; Dutton, Jason L.; Chang, Chia Yun; Zhou, Wen; Piers, Warren E.","Direct C-H electrophilic borylation with (C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>B-NTf<sub>2</sub> to generate B-N dibenzo[<i>a</i>,<i>h</i>]pyrenes.","Dalton transactions (Cambridge, England : 2003)","2024","53","17","7273","7281","10.1039/d4dt00469h","","","1.54178","CuKα","","0.1374","0.0834","","","0.2053","0.242","","","","","","1.051","","","","has coordinates,has disorder","291606","2024-05-05","02:36:46",""
"7715875","10.0017","0.0013","18.033","0.003","18.53","0.003","90","","90","","90","","3342.1","0.9","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H23 Cs3 N3 O21 Sm -","- C21 H23 Cs3 N3 O21 Sm -","- C84 H92 Cs12 N12 O84 Sm4 -","4","0.5","","Mortensen, Sabina Svava; Nielsen, Villads R. M.; Sørensen, Thomas Just","Contrasting Impact of Coordination Polyhedra and Site Symmetry on the Electronic Energy Levels in Nine-coordinated Eu(III) and Sm(III) Crystals Structures Determined from Single Crystal Luminescence Spectra","Dalton Transactions","2024","","","","","10.1039/D4DT00157E","","","0.71073","MoKα","","0.0284","0.0244","","","0.0617","0.0637","","","","","","1.068","","","","has coordinates,has disorder","291411","2024-04-29","23:00:20",""
"8000110","9.489","0.003","18.998","0.005","17.47","0.005","90","","90","","90","","3149.4","1.6","296","2","296","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C14 H44 Cl3 Co N6 O7 Pt2 S2 -","- C14 H44 Cl3 Co N6 O7 Pt2 S2 -","- C56 H176 Cl12 Co4 N24 O28 Pt8 S8 -","4","0.5","","Igashira-Kamiyama, Asako; Fujioka, Junji; Kodama, Tomoki; Kawamoto, Tatsuya; Konno, Takumi","Anion-controlled Preparation of Chiral S-Bridged CoIIIPtII2 and CoIII2PtII2 Complexes Consisting of [Co(D-penicillaminato-N,O,S)2]− and [Pt(CH3NH2)2]2+ Units","Chemistry Letters","2006","35","5","522","","10.1246/cl.2006.522","","","0.71069","MoKα","","0.0417","0.0352","","","0.0892","0.0928","","","","","","1.093","","","","has coordinates","210358","2020-10-21","18:00:00",""
"8000176","10.993","0.012","13.367","0.011","28.13","0.02","90","","90","","90","","4134","6","173.1","","","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C46 H54 N2 O6 S2 -","- C46 H54 N2 O6 S2 -","- C184 H216 N8 O24 S8 -","4","0.5","","Sugiura, Hiroki; Sakai, Daisuke; Otani, Harunori; Teranishi, Kazuhiro; Takahira, Yusuke; Amemiya, Ryo; Yamaguchi, Masahiko","Synthesis and Structure of Optically Active 1,12-Diethyl- and 1,12-Diisopropylbenzo[c]phenanthrenes: An Isopropyl Group Can Be Smaller than a Methyl Group","Chemistry Letters","2007","36","1","72","","10.1246/cl.2007.72","","","0.71075","MoKα","","","0.0495","","","","0.0571","","","","","","1.01","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000429","9.6818","0.0002","15.8107","0.0003","26.3785","0.0004","90","","90","","90","","4037.92","0.13","172.99","0.1","172.99","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H21 Cl2 Fe N O3 -","- C21 H21 Cl2 Fe N O3 -","- C168 H168 Cl16 Fe8 N8 O24 -","8","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.0632","0.0569","","","0.1594","0.1754","","","","","","1.142","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000432","9.6682","0.0001","15.8378","0.0002","26.3801","0.0003","90","","90","","90","","4039.4","0.08","172.99","0.1","172.99","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H21 Cl2 Fe N O3 -","- C21 H21 Cl2 Fe N O3 -","- C168 H168 Cl16 Fe8 N8 O24 -","8","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.0401","0.0382","","","0.1115","0.1146","","","","","","1.13","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8100539","10.577","0.001","26.465","0.001","12.088","0.001","90","","90","","90","","3383.53","0.12","193","2","193","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C15 H20.66 N2 O4.33 S -","- C15 H20.679 N2 O4.3395 S -","- C120 H165.432 N16 O34.716 S8 -","8","1","","Paulus, E. F.; Burgard, A.; Lang, H.-J.; Gerlach, U.","Crystal structure of (‒)-N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethylchroman- 4-yl]-N-methyl-ethansulfonamide hydrate, (CN)C~9~OH~5~(CH~3~)~2~(OH) N(CH~3~)SO~2~C~2~H~5~ · 0.34H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","139","140","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210358","2020-10-21","18:00:00",""
"8100692","6.9205","0.001","22.156","0.003","25.351","0.003","90","","90","","90","","3887.1","1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C15 H31 N O4 Si -","- C15 H31 N O4 Si -","- C120 H248 N8 O32 Si8 -","8","1","","Pothier, Julien; Frey, Wolfgang; Jäger, Volker","Crystal structure of (2R,3S,4S,5S)-5-(tert-butyldimethylsilyl)-3,4- isopropylidene-2-methylpiperidine-1,3,4,5-tetrol, C~15~H~31~NO~4~Si","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","401","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101251","11.705","0.002","13.185","0.003","29.061","0.006","90","","90","","90","","4485","1.6","293","2","293","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C30 H22 N4 -","- C30 H22 N4 -","- C240 H176 N32 -","8","1","","Kempe, Rhett; Hillebrand, Gerhard","Crystal structure of 1,1'-binaphthyl-2,2'-di(pyrid-2-ylamine), C~30~H~22~N~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","279","280","","","","","","","","0.062","","","0.135","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101672","9.3197","0.0018","10.6761","0.0008","33.786","0.002","90","","90","","90","","3361.6","0.7","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","(3S,1'S)-2,2-dimethyl-3-[1,2-cyclohexylidenedioxyethyl]-tetrahydro-1,2-oxazolium tetrafluoroborate","","- C13 H24 B F4 N O3 -","- C13 H24 B F4 N O3 -","- C104 H192 B8 F32 N8 O24 -","8","1","","W. Frey; M. Henneböhle; V. Jäger","Crystal structure of (3S,1'S)-2,2-dimethyl-3-[1,2-cyclohexylidenedioxyethyl]- tetrahydro-1,2-oxazolium tetrafluoroborate, (C~13~H~24~NO~3~)[BF~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","149","150","","","","1.54178","CuKα","","0.0753","0.0638","","","0.1701","0.1849","","","","","","1.386","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101991","11.867","0.005","15.421","0.005","19.181","0.005","90","0.005","90","0.005","90","0.005","3510","2","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","hexakis(μ~2~-acetato)-tris(acetonitrile-κN)-μ~3~-oxo-trialuminum(III) tetrachloroaluminate","","- C18 H27 Al4 Cl4 N3 O13 -","- C18 H27 Al4 Cl3.96 N3 O13 -","- C72 H108 Al16 Cl15.84 N12 O52 -","4","0.5","","Lemoine, P.; Bekaert, A.; Brion, J. D.; Viossat, B.","Crystal structure of hexakis(μ~2~-acetato)tris(acetonitrile- κN)-μ~3~-oxo-trialuminum(III) tetrachloroaluminate, [Al~3~(C~2~H~3~O~2~)~6~(C~2~H~3~N)~3~O][AlCl~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","309","310","","","","0.71073","MoKα","","0.1157","0.0493","","","0.1247","0.1404","","","","","","0.959","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102364","11.0548","0.0011","11.4912","0.0011","26.861","0.003","90","","90","","90","","3412.2","0.6","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C60 H92 N30 O -","- C60 H92 N30 O -","- C120 H184 N60 O2 -","2","0.25","","Cui-Hua Lin; Huan-Mei Guo; Fang-Fang Jian","Crystal structure of 2-amino-4,6-dimethylpyrimidine hydrate, (C6H9N3)10 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","511","","","","","0.71073","MoKα","","0.0696","0.055","","","0.1583","0.1712","","","","","","1.002","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103171","8.2605","0.0004","11.9532","0.0006","20.7348","0.0011","90","","90","","90","","2047.34","0.18","200","2","200","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Bis(2,2'-bipyrimidine-κ^2^N,N')dichloromanganese(II) - nitromethane (1:1)","","- C17 H15 Cl2 Mn N9 O2 -","- C17 H15 Cl2 Mn N9 O2 -","- C68 H60 Cl8 Mn4 N36 O8 -","4","0.5","","Kwang Ha","Crystal structure of bis(2,2'-bipyrimidine-?2N,N')dichloromanganese(II) — nitromethane (1:1), MnCl2(C8H6N4)2 · CH3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","3","421","","","","","0.71073","MoKα","","0.0657","0.0363","","","0.0679","0.0905","","","","","","1.124","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103591","9.968","","10.08","","8.692","","90","","90","","90","","873.35","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Be (P O3)2","","- Be O6 P2 -","- Be O6 P2 -","- Be8 O48 P16 -","8","1","","Schultz, E.; Liebau, F.","Crystal structure of beryllium phosphate Be P2 O6 III - a derivate of silica K (Keatite)","Zeitschrift fuer Kristallographie (149,1979-)","1981","154","","115","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103756","17.2817","","6.9823","","8.5391","","90","","90","","90","","1030.38","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Y2 (P4 O13)","","- O13 P4 Y2 -","- O13 P4 Y2 -","- O52 P16 Y8 -","4","0.5","","Ivashkevich, L.S.; Lyakhov, A.S.; Selevich, A.F.; Lesnikovich, A.I.; Ilieva, D.","The crystal structure of Y2 P4 O13 from X-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2002","217","","605","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","157098","2020-10-21","18:00:00",""
"8104534","8.73","0.011","5","0.006","8.201","0.006","90","","90","","90","","358","0.7","","","443","","","","","","","","","2","C 2 2 21","C 2c 2","20","tridymite","","tridymite OC at 443 K","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 443 K","Zeitschrift fur Kristallographie","1986","177","","27","38","10.1524/zkri.1986.177.1-2.27","","","","","","","","","","","","","","","","","","","","","has coordinates","282075","2023-03-27","13:24:53",""
"8104535","8.764","0.014","5.039","0.006","8.235","0.007","90","","90","","90","","363.7","0.8","","","573","","","","","","","","","2","C 2 2 21","C 2c 2","20","tridymite","","tridymite OC at 573 K","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 573 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211248","2020-10-21","18:00:00",""
"8104536","8.756","0.008","5.024","0.003","8.213","0.004","90","","90","","90","","361.3","0.4","","","493","","","","","","","","","2","C 2 2 21","C 2c 2","20","tridymite","","tridymite OC at 493 K","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 493 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211249","2020-10-21","18:00:00",""
"8104537","8.743","0.007","5.046","0.004","8.254","0.005","90","","90","","90","","364.1","0.5","","","653","","","","","","","","","2","C 2 2 21","C 2c 2","20","tridymite","","tridymite OC at 653 K","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 653 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211250","2020-10-21","18:00:00",""
"8104538","8.742","0.008","5.047","0.004","8.262","0.005","90","","90","","90","","364.5","0.5","","","693","","","","","","","","","2","C 2 2 21","C 2c 2","20","tridymite","","tridymite OC at 693 K","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Kihara, K.; Matsumoto, T.; Imamura, M.","Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 693 K","Zeitschrift fur Kristallographie","1986","177","","27","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211251","2020-10-21","18:00:00",""
"8106049","4.7425","0.0003","12.5852","0.0009","26.508","0.0018","90","","90","","90","","1582.14","0.19","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H14 N4 O11 -","- C12 H14 N4 O11 -","- C48 H56 N16 O44 -","4","0.5","","Guo, Chun-Mei; Song, Xiu-Ying; Xiong, Wan-Ming; Kang, Nian-Qian; Nie, Xu-Liang","Crystal structure of pyrimidine-2,5-dicarboxylic acid 1.5 hydrate, C12H14N4O11","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","75","76","10.1515/ncrs-2017-0159","","","0.71073","MoKα","","0.0382","0.0377","","","0.1057","0.1064","","","","","","1.154","","","","has coordinates","279188","2022-11-10","08:55:39",""
"8106150","6.869","0.002","18.535","0.007","21.199","0.007","90","","90","","90","","2699","1.6","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H22 Cl2 Cu N4 O2 -","- C31 H22 Cl2 Cu N4 O2 -","- C124 H88 Cl8 Cu4 N16 O8 -","4","0.5","","Chen, Shi-Jun; Li, Shi-Hui; Huang, Yao; Liu, Bin; Xiong, Ting-Song; Cui, Jun; Shen, Xiao-Shuang; Chen, Deng-Qian","Crystal structure of (5Z,10Z)-3,13-dichloro-17,18-dioxo-5,11-diphenyl-8,9,17,18-tetrahydro-7H-dibenzo[e,n][1,4,8,12]tetraazacyclopentadecine-16,19-diido-κ4 N,N′,N′′,N′′′)copper(II), C31H22N4O2Cl2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","353","354","10.1515/ncrs-2017-0182","","","0.71073","MoKα","","0.0566","0.0385","","","0.0796","0.1036","","","","","","1.119","","","","has coordinates","279384","2022-11-18","08:55:43",""
"8106667","11.372","0.002","19.861","0.004","9.2904","0.0019","90","","90","","90","","2098.3","0.7","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H26 Cu N2 O2 -","- C24 H26 Cu N2 O2 -","- C96 H104 Cu4 N8 O8 -","4","0.5","","Luo, Xiaofang; Li, Guoqiang; Zuo, Ying; Jiang, Qi; Xu, Qiang","Crystal structure of 3,3′-(butane-1,4-diylbis(azanylylidene))bis(1-phenylbut-1-en-1-olato)-κ4 N,N′,O,O′]copper(II), C24H26N2O2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","757","758","10.1515/ncrs-2017-0014","","","0.71073","MoKα","","0.021","0.0201","","","0.0574","0.058","","","","","","1.029","","","","has coordinates","280757","2023-02-02","09:22:59",""
"8107416","10.6891","0.0002","11.8375","0.0002","25.441","0.0004","90","","90","","90","","3219.11","0.1","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","2-nitroestrone","3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Raičević, Vidak; Radnović, Nikola D.; Rodić, Marko V.; Radulović, Niko S.","The crystal structure of 3-hydroxy-2-nitroestra-1,3,5(10)-trien-17-one, C18H21NO4","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","277","280","10.1515/ncrs-2022-0602","","x-ray","1.54184","CuKα","","0.0552","0.0483","","","0.1385","0.1449","","","","","","1.065","","","","has coordinates","284525","2023-06-23","08:00:33",""
"8107524","8.891","0.002","17.938","0.005","25.996","0.006","90","","90","","90","","4146","1.8","296.15","","296.15","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C22 H22 O7 -","- C22 H22 O7 -","- C176 H176 O56 -","8","1","","Wu, Binbin; Chen, Guangying; Ding, Haixin","Crystal structure of 3,5–di-O-benzoyl-1,2-O-isopropylidene-α–D-ribose, C22H22O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","663","665","10.1515/ncrs-2023-0140","","","0.71073","MoKα","","0.0772","0.0461","","","0.1043","0.1189","","","","","","0.976","","","","has coordinates","286413","2023-09-19","09:29:58",""
"9000841","6.412","","13.563","","8.545","","90","","90","","90","","743.124","","","","","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","Thadeuite","- Ca0.95 Fe0.58 H2 Mg2.18 Mn0.29 O10 P2 -","- Ca0.95 Fe0.58 H2 Mg2.18 Mn0.29 O10 P2 -","- Ca3.8 Fe2.32 H8 Mg8.72 Mn1.16 O40 P8 -","4","0.5","","Isaacs, A. M.; Peacor, D. R.","The crystal structure of thadeuite, Mg(Ca,Mn)(Mg,Fe,Mn)2(PO4)2(OH,F)2","American Mineralogist","1982","67","","120","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9006290","7.4953","","8.6203","","4.7305","","90","","90","","90","","305.646","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- O2 Si -","- O2 Si -","- O16 Si8 -","8","1","","Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.","Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 7","Physics and Chemistry of Minerals","1994","21","","269","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9015472","9.6581","","19.5833","","10.5027","","90","","90","","90","","1986.45","","","","","","","","","","","","Otto Mountain near Baker, California, USA","5","C 2 2 21","C 2c 2","20","","","Schieffelinite","- H12 O21.5 Pb5 S0.5 Te3 -","- H12 O21.5 Pb5 S0.5 Te3 -","- H48 O86 Pb20 S2 Te12 -","4","0.5","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite","American Mineralogist","2012","97","","212","219","10.2138/am.2011.3909","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015869","9.6646","","19.4962","","10.5101","","90","","90","","90","","1980.34","","","","","","","","","","","","Otto Mountain near Baker, California, USA","5","C 2 2 21","C 2c 2","20","","","Chromschieffelinite","- Cr0.5 H12 O21.5 Pb5 Te3 -","- Cr0.5 H12 O21.5 Pb5 Te3 -","- Cr2 H48 O86 Pb20 Te12 -","4","0.5","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite","American Mineralogist","2012","97","","212","219","10.2138/am.2011.3909","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016092","12.7997","","17.9081","","8.2112","","90","","90","","90","","1882.16","","","","","","","","","","","","Angarf-Sud pegmatite, Morocco","6","C 2 2 21","C 2c 2","20","","","Angarfite","- Fe3.797 H12 Mg1.203 Na0.365 O24 P4 -","- Fe3.797 H12 Mg1.203 Na0.365 O24 P4 -","- Fe15.188 H48 Mg4.812 Na1.46 O96 P16 -","4","0.5","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V.","Angarfite, NaFe3+5(PO4)4(OH)4*4H2O, a new mineral species from the Angarf-Sud pegmatite, Morocco: description and crystal structure","The Canadian Mineralogist","2012","50","","781","791","10.3749/canmin.50.4.781","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016704","8.1821","","14.1946","","43.9103","","90","","90","","90","","5099.81","","","","","","","","","","","","the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA","9","C 2 2 21","C 2c 2","20","","","Kraisslite","- Al0.16 As4.92 Fe0.84 H16 Mg1.66 Mn23.39 O62 Si7.22 Zn2.81 -","- Al0.64 As19.68 Fe3.36 H64 Mg6.64 Mn93.56 O248 Si28.88 Zn11.24 -","- Al0.64 As19.68 Fe3.36 H64 Mg6.64 Mn93.56 O248 Si28.88 Zn11.24 -","","","","Cooper, M. A.; Hawthorne, F. C.","Crystal structure of kraisslite, Zn3(Mn,Mg)25(Fe3+,Al)(As3+O3)2[(Si,As5+)O4]10(OH)16, from the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA","Mineralogical Magazine","2012","76","","2819","2836","10.1180/minmag.2012.076.7.13","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017337","8.7549","","5.0335","","8.2118","","90","","90","","90","","361.876","","","","","","","","","","","","rhyolitic rock, New Mexico, USA","2","C 2 2 21","C 2c 2","20","","","Tridymite","- O2 Si -","- O16 Si8 -","- O16 Si8 -","","","","Lee, S.; Xu, H.","Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite","Acta Crystallographica, Section B","2019","75","","","","10.1107/S2052520619000933","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:55",""