# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-05T22:00:44+01:00
# 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","301772","2025-08-18","12:31:57",""
"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","301775","2025-08-18","14:01:20",""
"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","301775","2025-08-18","14:01:20",""
"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","301775","2025-08-18","14:03:02",""
"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","301775","2025-08-18","14:03:03",""
"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","301775","2025-08-18","14:03:04",""
"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","301775","2025-08-18","14:03:05",""
"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","301775","2025-08-18","14:03:05",""
"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","301776","2025-08-18","14:47:44",""
"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","301776","2025-08-18","14:47:47",""
"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","301776","2025-08-18","14:47:48",""
"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","301776","2025-08-18","14:47:50",""
"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","301777","2025-08-18","15:08:07",""
"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","301779","2025-08-18","16:06:48",""
"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","301779","2025-08-18","16:06:56",""
"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","301780","2025-08-18","21:43:24",""
"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","301780","2025-08-18","21:43:24",""
"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","301780","2025-08-18","21:43:29",""
"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","301780","2025-08-18","21:43:32",""
"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","301780","2025-08-18","21:43:32",""
"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","301780","2025-08-18","21:43:32",""
"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","301780","2025-08-18","21:43:32",""
"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","301780","2025-08-18","21:43:32",""
"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","301780","2025-08-18","21:43:33",""
"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","301780","2025-08-18","21:43:39",""
"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","301780","2025-08-18","21:43:40",""
"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",""
"1571772","15.311","0.004","23.948","0.006","7.27","0.02","90","","90","","90","","2666","7","293","","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","ET(1)*6H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate hexahydrate","","- C29 H21 N O7 -","- C29 H21 N O7 -","- C116 H84 N4 O28 -","4","0.5","LT5066","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.2641","0.1369","","","0.3215","0.3781","","","","","","1.276","","","","has coordinates","292200","2024-06-05","02:20:32",""
"1571897","12.9873","0.0005","18.8387","0.0007","17.5741","0.0008","90","","90","","90","","4299.7","0.3","269","0.6","269","0.6","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H11 I6 N2 Pb2 -","- C7 H11 I6 N2 Pb2 -","- C56 H88 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0361","0.0286","","","0.0593","0.0612","","","","","","0.974","","","","has coordinates","293732","2024-08-05","17:53:58",""
"1571898","12.9493","0.0003","18.7108","0.0005","17.6439","0.0005","90","","90","","90","","4274.97","0.19","239.99","0.1","239.99","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0578","0.0551","","","0.1602","0.1639","","","","","","1.064","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571899","12.9621","0.0007","18.7875","0.0013","17.6666","0.0009","90","","90","","90","","4302.3","0.4","298.53","0.1","298.53","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H11 I6 N2 Pb2 -","- C7 H11 I6 N2 Pb2 -","- C56 H88 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0791","0.0424","","","0.0952","0.1058","","","","","","1.075","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571901","12.9972","0.0003","18.8397","0.0007","17.5687","0.0006","90","","90","","90","","4301.9","0.2","267.4","0.4","267.4","0.4","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0856","0.0681","","","0.1653","0.1807","","","","","","1.005","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571904","12.9335","0.0006","18.7349","0.0008","17.6358","0.0008","90","","90","","90","","4273.3","0.3","245.03","0.1","245.03","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.09","0.0684","","","0.1748","0.1865","","","","","","1.021","","","","has coordinates","293732","2024-08-05","17:54:01",""
"1571906","12.9629","0.0003","18.7955","0.0005","17.6714","0.0005","90","","90","","90","","4305.53","0.19","297.98","0.1","297.98","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C7 H12 I6 N2 Pb2 -","- C7 H12 I6 N2 Pb2 -","- C56 H96 I48 N16 Pb16 -","8","1","","Fan, Chang-Chun; Liu, Cheng-Dong; Liang, Bei-Dou; Ju, Tong-Yu; Wang, Wei; Jin, Ming-Liang; Chai, Chao-Yang; Zhang, Wen","Chiral three-dimensional organic-inorganic lead iodide hybrid semiconductors.","Chemical science","2024","15","29","11374","11381","10.1039/d4sc00954a","","x-ray","0.71073","MoKα","","0.0767","0.0488","","","0.1343","0.1492","","","","","","0.991","","","","has coordinates,has disorder","293732","2024-08-05","17:54:01",""
"1571999","17.1992","0.0013","29.767","0.003","21.8387","0.0018","90","","90","","90","","11180.7","1.7","150.15","0.1","150.15","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","NPU-1-TPT","","- C66 H45 Mn6 N12 O20 -","- C66 H45 Mn6 N12 O20 -","- C264 H180 Mn24 N48 O80 -","4","0.5","","Cao, Jian-Wei; Zhang, Tao; Chen, Juan; Wang, Jin-Bo; Wang, Yu; Chen, Kai-Jie","Ordered assembly of two different metal clusters with the same topological connectivity in one single coordination network.","Chemical science","2024","15","30","11928","11936","10.1039/d4sc02550d","","x-ray","1.34139","GaKα","","0.0813","0.0807","","","0.2077","0.2085","","","","","","1.052","","","","has coordinates,has disorder","293777","2024-08-05","18:12:33",""
"1572699","12.704","0.004","13.535","0.004","14.921","0.003","90","","90","","90","","2565.6","1.2","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C14 H18 F6 N4 Si Zn -","- C14 H18 F6 N4 Si Zn -","- C56 H72 F24 N16 Si4 Zn4 -","4","0.5","","O'Hearn, Daniel J; Sensharma, Debobroto; Raza, Asif; Bezrukov, Andrey A.; Vandichel, Matthias; Mukherjee, Soumya; Zaworotko, Michael J.","Crystal engineering of a new platform of hybrid ultramicroporous materials and their C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation properties.","Chemical science","2024","15","43","17937","17943","10.1039/d4sc03029j","","","1.54184","CuKα","","0.1088","0.0709","","","0.1692","0.1914","","","","","","0.979","","","","has coordinates","296372","2024-12-06","16:30:55",""
"1572836","9.0954","0.0014","28.981","0.004","20.898","0.003","90","","90","","90","","5508.6","1.4","296","2","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C46 H58 N2 O10 S2 -","- C46 H58 N2 O10 S2 -","- C184 H232 N8 O40 S8 -","4","0.5","","Liu, Huifeng; He, Yongrui; Chen, Jia; Qu, Xiaoqing; He, Jing; Chen, Xuwei; Wang, Jianhua; Qiu, Hongdeng","Chiral ionic organic single-crystal and its exfoliated two-dimensional nanosheets with enhanced enantioseparation.","Chemical science","2024","15","45","18818","18824","10.1039/d4sc04990j","","","0.71073","MoKα","","0.0929","0.0517","","","0.1295","0.1414","","","","","","0.999","","","","has coordinates","296435","2024-12-06","17:00:24",""
"1575843","9.8643","0.0003","15.3347","0.0003","23.6263","0.0005","90","","90","","90","","3573.86","0.15","193","","193","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C37 H23 Br2 Cl3 N2 O8 -","- C37 H23 Br2 Cl3 N2 O8 -","- C148 H92 Br8 Cl12 N8 O32 -","4","0.5","","Yang, Yang; Bai, Guishun; Qin, Mengmeng; Wang, Juelian; Yang, Yihuan; Wang, Hong; Bonne, Damien; Rodriguez, Jean; Bao, Xiaoze","Atroposelective synthesis of sterically hindered stereochemically complex BINOL derivatives <i>via</i> central-to-axial chirality induction.","Chemical science","2025","16","41","19342","19349","10.1039/d5sc05212b","","x-ray","1.34139","GaKα","","0.052","0.0388","","","0.0839","0.0903","","","","","","1.036","","","","has coordinates,has disorder","303604","2025-11-29","18:16:46",""
"1576044","17.8476","0.0005","27.8909","0.0008","23.5021","0.0007","90","","90","","90","","11699","0.6","151","","151","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C528 H432 N48 O48 -","16","2","","Huang, Jin-Yu; Qin, Xin-Ting; Rao, Han-Wen; Chen, Zhi-Chao; Zhu, Lei; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Palladium-catalysed asymmetric annulations of Morita-Baylis-Hillman carbonates with allenes or alkenes via migratory insertion","Chemical Science","2025","","","","","10.1039/D5SC06910F","","","1.54178","CuKα","","0.039","0.0349","","","0.0892","0.092","","","","","","1.052","","","","has coordinates","302953","2025-10-17","22:30:34",""
"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","301791","2025-08-18","23:15:01",""
"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","301791","2025-08-18","23:15:21",""
"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","301791","2025-08-18","23:15:31",""
"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","301791","2025-08-18","23:15:33",""
"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","301791","2025-08-18","23:15:33",""
"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","301798","2025-08-19","06:41:48",""
"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","301798","2025-08-19","06:42:27",""
"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","301801","2025-08-19","09:44:27",""
"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","301801","2025-08-19","09:44:27",""
"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",""
"2023201","6.6077","0.0002","13.873","0.0004","59.326","0.002","90","","90","","90","","5438.3","0.3","239.99","0.1","239.99","0.1","","","","","","","","4","C 2 2 21","C 2c 2","20","","12-α-Fluoro-3β-hydroxytaraxer-28,14β-olide methanol hemisolvate","","- C61 H98 F2 O7 -","- C61 H98 F2 O7 -","- C244 H392 F8 O28 -","4","0.5","YY2009","Eadsforth, Megan A.; Kong, Linghan; Whitehead, George; Vitórica-Yrezábal, Iñigo J.; O'Keefe, Raymond T.; Bryce, Richard A.; Whitehead, Roger C.","Structural determination of oleanane-28,13β-olide and taraxerane-28,14β-olide fluorolactonization products from the reaction of oleanolic acid with SelectfluorTM","Acta Crystallographica Section E Crystallographic Communications","2024","80","8","","","10.1107/S2056989024006480","","x-ray","1.54184","CuKα","","0.0746","0.0726","","","0.2015","0.2034","","","","","","1.094","","","","has coordinates,has disorder","293435","2024-07-17","01:51:08",""
"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","301802","2025-08-19","10:18:33",""
"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","301802","2025-08-19","10:18:48",""
"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","301802","2025-08-19","10:18:48",""
"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","301802","2025-08-19","10:18:49",""
"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","301803","2025-08-19","11:15:02",""
"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","301803","2025-08-19","11:15:06",""
"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","301803","2025-08-19","11:20:45",""
"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","301803","2025-08-19","11:20:50",""
"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","301803","2025-08-19","11:20:51",""
"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","301803","2025-08-19","11:20:53",""
"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","301803","2025-08-19","11:20:53",""
"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","301803","2025-08-19","11:21:00",""
"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","301804","2025-08-19","12:25:32",""
"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","301804","2025-08-19","12:25:34",""
"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","301804","2025-08-19","12:26:35",""
"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","301804","2025-08-19","12:26:35",""
"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","301804","2025-08-19","12:26:42",""
"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","301804","2025-08-19","12:26:42",""
"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","301805","2025-08-19","13:55:06",""
"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","301805","2025-08-19","13:57:11",""
"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","301805","2025-08-19","13:57:13",""
"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","301806","2025-08-19","15:27:17",""
"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","301806","2025-08-19","15:27:18",""
"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","301806","2025-08-19","15:27:28",""
"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","301807","2025-08-19","18:33:37",""
"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","301807","2025-08-19","18:33:37",""
"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","301807","2025-08-19","18:33:42",""
"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","301809","2025-08-19","19:04:01",""
"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",""
"2312695","12.6024","0.0011","17.6259","0.0015","46.236","0.004","90","","90","","90","","10270.3","1.5","150","2","150","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","Poly[[bis(dimethylammonium) tri-μ-oxalato-sodium(I)iron(III)]–dimethylamine–water (3/1/1)]","","- C30 H49 Fe3 N6 Na3 O37 -","- C30 H49 Fe3 N6 Na3 O37 -","- C240 H392 Fe24 N48 Na24 O296 -","8","1","EQ3016","Kherfi, Hamza; Benhacine, Mohamed Al Amine; Hamadene, Malika","A novel layered structure of the heterometallic oxalate compound [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>2</sub>[NaFe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]·0.33NH(CH<sub>3</sub>)<sub>2</sub>·0.33H<sub>2</sub>O: synthesis, crystal structure and thermal decomposition.","Acta crystallographica. Section C, Structural chemistry","2024","80","12","","","10.1107/S2053229624011185","","","0.71073","MoKα","","0.0861","0.0495","","","0.0882","0.0988","","","","","","0.962","","","","has coordinates,has disorder,has Fobs","296107","2024-11-26","02:49:10",""
"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","301812","2025-08-19","20:48:11",""
"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","301812","2025-08-19","20:48:12",""
"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","301812","2025-08-19","20:48:12",""
"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","301812","2025-08-19","20:48:17",""
"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","301812","2025-08-19","20:48:18",""
"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","301812","2025-08-19","20:48:18",""
"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","301812","2025-08-19","20:48:25",""
"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","301812","2025-08-19","20:48:26",""
"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","301812","2025-08-19","20:48:26",""
"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","301812","2025-08-19","20:48:27",""
"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","301828","2025-08-20","10:28:57",""
"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","301828","2025-08-20","10:30:48",""
"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","301828","2025-08-20","10:30:48",""
"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","301828","2025-08-20","10:32:33",""
"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","301828","2025-08-20","10:33:17",""
"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","301828","2025-08-20","10:33:18",""
"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","301828","2025-08-20","10:33:18",""
"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","301828","2025-08-20","10:33:22",""
"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","301828","2025-08-20","10:33:24",""
"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","301829","2025-08-20","12:17:39",""
"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","301829","2025-08-20","12:17:40",""
"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","301829","2025-08-20","12:17:40",""
"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","301831","2025-08-20","13:52:13",""
"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","301832","2025-08-20","14:35:19",""
"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","301832","2025-08-20","14:35:19",""
"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","301832","2025-08-20","14:35:34",""
"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","301832","2025-08-20","14:35:35",""
"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","301833","2025-08-20","15:22:56",""
"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","301833","2025-08-20","15:22:56",""
"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","301833","2025-08-20","15:22:58",""
"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","301833","2025-08-20","15:23:01",""
"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","301834","2025-08-20","16:40:42",""
"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","301834","2025-08-20","16:40:44",""
"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","301834","2025-08-20","16:40:56",""
"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","301834","2025-08-20","16:40:57",""
"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","301835","2025-08-20","18:54:26",""
"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","301835","2025-08-20","18:54:27",""
"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","301836","2025-08-20","19:34:54",""
"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","301836","2025-08-20","19:34:55",""
"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","301836","2025-08-20","19:34:56",""
"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","301836","2025-08-20","19:34:57",""
"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","301837","2025-08-20","21:36:52",""
"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","301837","2025-08-20","21:36:54",""
"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","301837","2025-08-20","21:36:57",""
"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","301838","2025-08-20","22:17:32",""
"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","301838","2025-08-20","22:17:40",""
"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","301838","2025-08-20","22:17:45",""
"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","301839","2025-08-20","22:57:32",""
"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","301839","2025-08-20","22:57:36",""
"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","301839","2025-08-20","22:57:39",""
"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","301839","2025-08-20","22:57:39",""
"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","301840","2025-08-20","23:44:54",""
"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","301842","2025-08-21","00:37:09",""
"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","301842","2025-08-21","00:37:09",""
"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","301842","2025-08-21","00:37:09",""
"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","301842","2025-08-21","00:37:10",""
"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","301843","2025-08-21","01:58:36",""
"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","301843","2025-08-21","01:58:42",""
"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","301843","2025-08-21","01:58:45",""
"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","301846","2025-08-21","10:44:10",""
"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","301846","2025-08-21","10:44:13",""
"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","301847","2025-08-21","11:39:32",""
"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","301847","2025-08-21","11:39:33",""
"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","301848","2025-08-21","12:23:42",""
"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","301848","2025-08-21","12:23:47",""
"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","301848","2025-08-21","12:23:48",""
"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","301848","2025-08-21","12:23:50",""
"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","301849","2025-08-21","13:35:10",""
"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","301849","2025-08-21","13:35:17",""
"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","301849","2025-08-21","13:35:17",""
"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","301849","2025-08-21","13:36:22",""
"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","301850","2025-08-21","14:34:43",""
"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","301850","2025-08-21","14:34:43",""
"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","301851","2025-08-21","20:32:32",""
"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","301851","2025-08-21","20:32:39",""
"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","41","14","6709","6719","10.1039/C7NJ01845B","","","1.54178","CuKα","","0.0222","0.0216","","","0.0594","0.0597","","","","","","1.048","","","","has coordinates","301442","2025-08-04","07:23:57",""
"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",""
"7063315","12.1391","0.0007","19.4487","0.0011","15.6956","0.0008","90","","90","","90","","3705.6","0.4","223","2","223","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C29 H44 Cl2 N8 P2 Pd S2 -","- C29 H44 Cl2 N8 P2 Pd S2 -","- C116 H176 Cl8 N32 P8 Pd4 S8 -","4","0.5","","Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo","Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones","New Journal of Chemistry","2024","48","30","13358","13372","10.1039/D4NJ01429D","","","0.71073","MoKα","","0.0451","0.0313","","","0.0568","0.0606","","","","","","1.053","","","","has coordinates","293917","2024-08-05","19:51:16",""
"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","301853","2025-08-21","21:49:53",""
"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","301857","2025-08-21","22:47:22",""
"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","301857","2025-08-21","22:47:24",""
"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","301857","2025-08-21","22:47:24",""
"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","301857","2025-08-21","22:47:26",""
"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","301857","2025-08-21","22:47:31",""
"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","","","","- C15 H18 N O2.5 -","- C15 H18 N O2.5 -","- C120 H144 N8 O20 -","8","1","","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","301860","2025-08-22","09:24:08",""
"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","","","","- C15 H18 N O2.5 -","- C15 H18 N O2.5 -","- C120 H144 N8 O20 -","8","1","","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","301860","2025-08-22","09:24:08",""
"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","301860","2025-08-22","09:26:33",""
"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","301860","2025-08-22","09:26:35",""
"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","301860","2025-08-22","09:26:40",""
"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","","","","- C55 H64 N8 O8.5 -","- C55 H64 N8 O8.5 -","- C440 H512 N64 O68 -","8","1","","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","298703","2025-04-03","05:34:20",""
"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","301861","2025-08-22","11:11:47",""
"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","301861","2025-08-22","11:11:48",""
"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","301861","2025-08-22","11:11:50",""
"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","301861","2025-08-22","11:11:52",""
"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","301861","2025-08-22","11:12:03",""
"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","301861","2025-08-22","11:12:05",""
"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","301861","2025-08-22","11:12:21",""
"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","301861","2025-08-22","11:12:24",""
"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","301861","2025-08-22","11:12:29",""
"7156408","10.047","0.005","15.961","0.005","24.731","0.005","90","0.005","90","0.005","90","0.005","3966","2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C20 H22 O10 -","- C20 H22 O10 -","- C160 H176 O80 -","8","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.062","0.0446","","","0.093","0.0997","","","","","","1.053","","","","has coordinates","301861","2025-08-22","11:12:38",""
"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","301861","2025-08-22","11:13:06",""
"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","301861","2025-08-22","11:13:09",""
"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",""
"7160609","6.8089","0.0003","15.0295","0.0006","35.998","0.0017","90","","90","","90","","3683.8","0.3","295","2","295","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C152 H208 O32 -","8","1","","Surendran, Sravya; Ramachandran, Arathi; Goreti, Rajendar","First stereoselective approach for structure revision of nagiol and syntheses of 2,3-dihydroxyferruginol and ferruginol.","Organic & biomolecular chemistry","2025","23","29","6924","6930","10.1039/d5ob00946d","","","0.71073","MoKα","","0.0689","0.0536","","","0.1496","0.1631","","","","","","1.071","","","","has coordinates","301633","2025-08-05","22:29:31",""
"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","301863","2025-08-22","13:06:27",""
"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","301863","2025-08-22","13:07:25",""
"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","301864","2025-08-22","15:14:27",""
"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","301864","2025-08-22","15:14:29",""
"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","301864","2025-08-22","15:14:30",""
"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","301864","2025-08-22","15:14:31",""
"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","301864","2025-08-22","15:14:37",""
"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","301865","2025-08-22","16:16:40",""
"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","301866","2025-08-22","21:38:30",""
"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","301866","2025-08-22","21:38:30",""
"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","301866","2025-08-22","21:38:37",""
"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","301870","2025-08-22","22:41:57",""
"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",""
"7250324","11.2944","0.0005","37.3407","0.0014","15.8762","0.0007","90","","90","","90","","6695.6","0.5","120","","120","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H100 Cl40 N16 O Sb8 -","- C96 H100 Cl40 N16 O Sb8 -","- C192 H200 Cl80 N32 O2 Sb16 -","2","0.25","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0212","0.0204","","","0.0486","0.049","","","","","","1.0347","","","","has coordinates,has disorder","300695","2025-07-06","15:02:45",""
"7251198","12.3993","0.0015","14.0194","0.001","15.3719","0.0012","90","","90","","90","","2672.1","0.4","297","2","297","2","","","","","","","","4","C 2 2 21","C 2c 2","20","BINOL + DACH","1,1'-bi-2-naphtol + trans-cyclohexane-1,2-diamine","","- C32 H34 N2 O2 -","- C32 H34 N2 O2 -","- C128 H136 N8 O8 -","4","0.5","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Robeyns, Koen; Leyssens, Tom","Solvent selection as a major determinant of chiral resolution outcomes: The BINOL-DACH case study","CrystEngComm","2025","","","","","10.1039/D5CE00706B","","","0.71073","MoKα","","0.106","0.0612","","","0.1342","0.1544","","","","","","1.061","","","","has coordinates","303171","2025-11-05","00:28:32",""
"7251318","32.4607","0.0006","39.283","0.0008","20.2199","0.0003","90","","90","","90","","25783.5","0.8","100.01","0.1","100.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C73 H182 Cl F N44 O74 -","- C73 H76 Cl F N44 O21 -","- C584 H608 Cl8 F8 N352 O168 -","8","1","","Rincón, David A; Zaorska, Ewelina; Malinska, Maura","Halogenated <i>N</i>-phenylpiperazine and 2-(piperazin-1-yl)pyrimidine as novel cucurbit[7]uril guests: experimental and computational insights into supramolecular binding.","RSC advances","2025","15","53","45555","45572","10.1039/d5ra07259j","","x-ray","1.54184","CuKα","","0.0725","0.0645","","","0.1878","0.1994","","","","","","1.046","","","","has coordinates,has disorder","303417","2025-11-25","16:34:40",""
"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","301878","2025-08-22","23:10:52",""
"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","","","- 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","294960","2024-10-01","15:55:32",""
"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","301878","2025-08-22","23:11:04",""
"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 (Cambridge, England : 2003)","2024","53","24","10079","10092","10.1039/d4dt00157e","","","0.71073","MoKα","","0.0284","0.0244","","","0.0617","0.0637","","","","","","1.068","","","","has coordinates,has disorder","293005","2024-07-05","15:57:48",""
"7716614","19.846","0.0003","25.9024","0.0004","8.6357","0.0001","90","","90","","90","","4439.26","0.11","250","","250","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H34 Cl2 N4 O6 Re2 -","- C40 H34 Cl2 N4 O6 Re2 -","- C160 H136 Cl8 N16 O24 Re8 -","4","0.5","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","","0.56083","AgKα","","0.0426","0.0287","","","0.0597","0.0618","","","","","","0.952","","","","has coordinates","294563","2024-09-06","00:47:45",""
"7716616","19.7136","0.0005","25.7034","0.0007","8.5965","0.0002","90","","90","","90","","4355.9","0.19","200","2","200","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C40 H38 Cl2 N4 O8 Re2 -","- C40 H34 Cl2 N4 O6 Re2 -","- C160 H136 Cl8 N16 O24 Re8 -","4","0.5","","Solea, Atena B.; Demirci, Gozde; Harvey, Freya M.; Crochet, Aurelien; Zobi, Fabio; Mamula Steiner, Olimpia","The role of stereochemistry in the anticancer activity of Re(I) tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","33","13743","13755","10.1039/d4dt01643b","","x-ray","1.54186","CuKα","","0.0336","0.0334","","","0.0903","0.0905","","","","","","1.0708","","","","has coordinates","294563","2024-09-06","00:47:45",""
"7717883","9.6988","0.0007","11.7347","0.0007","10.0181","0.0006","90","","90","","90","","1140.19","0.13","293","","293","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- Cs F3 Mn O3 P -","- Cs F3 Mn O3 P -","- Cs8 F24 Mn8 O24 P8 -","8","1","","Cheng, Xiedong; Li, Feifan; Huang, Qingqing; Pereira, Laura C. J.; Cui, Rui; Li, Yaping; Lü, Minfeng","Synthesis, structures, and magnetic properties of alkali metal manganese(III) fluorophosphates containing low-dimensional <i>S</i> = 2 spin structures.","Dalton transactions (Cambridge, England : 2003)","2025","54","8","3486","3499","10.1039/d4dt02768j","","x-ray","0.71073","MoKα","","0.1178","0.1175","","","0.2058","0.206","","","","3.8","3.8","3.79","","","","has coordinates","298261","2025-03-04","20:15:08",""
"7718064","6.4412","0.0005","19.2341","0.0015","17.012","0.0012","90","","90","","90","","2107.6","0.3","296","","296","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- K4 Mo5 O22 P2 -","- K4 Mo5 O22 P2 -","- K16 Mo20 O88 P8 -","4","0.5","","Gao, Zhixia; Li, Ke; Du, Hong; Baiheti, Tuohetijiang","Four noncentrosymmetric molybdophosphates discovered by a chemical substitution strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4025","4029","10.1039/d4dt03580a","","","0.71073","MoKα","","0.0284","0.0271","","","0.0626","0.0638","","","","","","1.074","","","","has coordinates","300757","2025-07-06","15:26:14",""
"7718065","6.5727","0.0011","19.456","0.002","17.865","0.003","90","","90","","90","","2284.5","0.6","296","2","296","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- Cs3 K Mo5 O22 P2 -","- Cs3 K Mo5 O22 P2 -","- Cs12 K4 Mo20 O88 P8 -","4","0.5","","Gao, Zhixia; Li, Ke; Du, Hong; Baiheti, Tuohetijiang","Four noncentrosymmetric molybdophosphates discovered by a chemical substitution strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4025","4029","10.1039/d4dt03580a","","","0.71073","MoKα","","0.0669","0.0543","","","0.1105","0.125","","","","","","1.051","","","","has coordinates","300757","2025-07-06","15:26:14",""
"7718066","6.5267","0.0009","18.628","0.003","17.559","0.002","90","","90","","90","","2134.8","0.5","152","","152","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- Mo5 Na O22 P2 Rb3 -","- Mo5 Na O22 P2 Rb3 -","- Mo20 Na4 O88 P8 Rb12 -","4","0.5","","Gao, Zhixia; Li, Ke; Du, Hong; Baiheti, Tuohetijiang","Four noncentrosymmetric molybdophosphates discovered by a chemical substitution strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4025","4029","10.1039/d4dt03580a","","","0.71073","MoKα","","0.0606","0.0427","","","0.0811","0.0873","","","","","","0.998","","","","has coordinates","300757","2025-07-06","15:26:14",""
"7718067","6.4888","0.0006","19.224","0.0014","17.3168","0.0017","90","","90","","90","","2160.1","0.3","173","","173","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- K2 Mo5 O22 P2 Rb2 -","- K2 Mo5 O22 P2 Rb2 -","- K8 Mo20 O88 P8 Rb8 -","4","0.5","","Gao, Zhixia; Li, Ke; Du, Hong; Baiheti, Tuohetijiang","Four noncentrosymmetric molybdophosphates discovered by a chemical substitution strategy.","Dalton transactions (Cambridge, England : 2003)","2025","54","10","4025","4029","10.1039/d4dt03580a","","","0.71073","MoKα","","0.0389","0.0339","","","0.0703","0.0736","","","","","","1.004","","","","has coordinates,has disorder","300757","2025-07-06","15:26:14",""
"7718438","12.3983","0.0002","15.2626","0.0002","26.923","0.0004","90","","90","","90","","5094.65","0.13","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C54 H76 N2 O4 Sn -","- C54 H76 N2 O4 Sn -","- C216 H304 N8 O16 Sn4 -","4","0.5","","Meshcheryakova, Irina N.; Cherkasov, Anton V.; Arsenyev, Maxim V.; Aysin, Rinat R.; Belikov, Aleksey A.; Bogomyakov, Artem S.; Protasenko, Natalya A.; Kocherova, Tatiana N.; Baryshnikova, Svetlana V.; Piskunov, Alexandr V.","Stepwise transformation of a redox-active tetradentate ONNO ligand in the coordination sphere of tin(IV).","Dalton transactions (Cambridge, England : 2003)","2025","54","18","7281","7293","10.1039/d5dt00430f","","","0.71073","MoKα","","0.0328","0.0282","","","0.0558","0.0575","","","","","","1.043","","","","has coordinates,has disorder","300924","2025-07-06","16:44:27",""
"7718556","16.3112","0.0004","17.5527","0.0005","14.4401","0.0003","90","","90","","90","","4134.28","0.18","293","","293","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C38 H34 Cu2 F6 N6 O8 S2 -","- C38 H34 Cu2 F6 N6 O8 S2 -","- C152 H136 Cu8 F24 N24 O32 S8 -","4","0.5","","Ramasubramanian, Ramamoorthy; Anandababu, Karunanithi; Kumar, Mukesh; Mayilmurugan, Ramasamy","A bioinspired model for copper monooxygenase: direct aromatic hydroxylation using O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2025","54","22","8788","8799","10.1039/d4dt02079k","","","1.54184","CuKα","","0.0798","0.0714","","","0.1966","0.2408","","","","","","1.14","","","","has coordinates","300769","2025-07-06","15:32:01",""
"7718745","11.0705","0.0004","22.3081","0.001","20.3416","0.0009","90","","90","","90","","5023.6","0.4","284.07","","284.07","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H31 Cu N5 O12.5 P -","- C19 H31 Cu N5 O12.5 P -","- C152 H248 Cu8 N40 O100 P8 -","8","1","","Khan, Yaqoot; Du, Yunyun; Yan, Li; Zhang, Niu; Zhang, Menglei; Ma, Hongwei; Li, Hui","Structural diversity of nucleotide coordination polymers of cytidine mono-, di-, and tri-phosphates and their selective recognition of tryptophan and tyrosine.","Dalton transactions (Cambridge, England : 2003)","2025","54","23","9145","9159","10.1039/d5dt00786k","","","0.71073","MoKα","","0.0475","0.0323","","","0.0726","0.078","","","","","","1.022","","","","has coordinates","300952","2025-07-06","16:56:04",""
"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","301880","2025-08-22","23:45:40",""
"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","301880","2025-08-22","23:45:44",""
"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","301880","2025-08-22","23:45:45",""
"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","301880","2025-08-22","23:45:45",""
"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","301880","2025-08-22","23:45:47",""
"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","293658","2024-08-03","10:24:16",""
"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 -","- Al0.16 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 -","4","0.5","","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","292100","2024-05-29","14:19:55",""
"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 -","- O2 Si -","- O16 Si8 -","8","1","","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","292100","2024-05-29","14:19:56",""