# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T20:10:52+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 61' 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
"1100441","15.488","0.001","15.488","0.001","11.604","0.001","90","","90","","120","","2410.62","","","","","","","","","","","","","4","P 61","P 61","169","","","","- C15.32 H28.3 N O3.33 -","- C27 H25 N O5 -","- C162 H150 N6 O30 -","6","1","","Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus","Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes","Liebigs Annalen/Recueil","1997","1997","2","423","434","10.1002/jlac.199719970222","","","","","","","","","","","","","","","","","","","","","has coordinates","177967","2020-10-21","18:00:00",""
"1100460","13.82","0.002","13.82","0.002","8.625","0.002","90","","90","","120","","1426.61","","","","","","","","","","","","","5","P 61","P 61","169","","","","- C7 H9 N O2 S -","- C10 H9 N O2 S -","- C60 H54 N6 O12 S6 -","6","1","","Bolm, Carsten; Müller, Peter; Harms, Klaus","Sulfoximine‒Titanium Reagents in Enantioselective Trimethylsilylcyanations of Aldehydes","Acta Chemica Scandinavica","1996","50","","305","315","10.3891/acta.chem.scand.50-0305","","","","","","","","","","","","","","","","","","","","","has coordinates","178090","2020-10-21","18:00:00",""
"1502209","15.457","0.002","15.457","0.002","42.11","0.008","90","","90","","120","","8713","2","173","2","173","2","","","","","","","","7","P 61","P 61","169","","","","- C43 H56 Cl4 N2 O4 Rh2 S2 -","- C43 H56 Cl4 N2 O4 Rh2 S2 -","- C258 H336 Cl24 N12 O24 Rh12 S12 -","6","1","","Feng, Xiangqing; Wang, Yazhou; Wei, Beibei; Yang, Jing; Du, Haifeng","Simple N-sulfinyl-based chiral sulfur-olefin ligands for rhodium-catalyzed asymmetric 1,4-additions.","Organic letters","2011","13","13","3300","3303","10.1021/ol2009494","","","0.71073","MoKα","","0.0701","0.0646","","","0.166","0.1702","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502283","10.645","0.002","10.645","0.002","22.016","0.006","90","","90","","120","","2160.5","0.8","123.1","","123.1","","","","","","","","","5","P 61","P 61","169","","","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C90 H114 N6 O12 S6 -","6","1","","Nishimura, Takahiro; Maeda, Yuko; Hayashi, Tamio","Chiral diene-phosphine tridentate ligands for rhodium-catalyzed asymmetric cycloisomerization of 1,6-enynes.","Organic letters","2011","13","14","3674","3677","10.1021/ol2013236","","","0.71075","MoKα","","","0.0448","","","","0.1224","","","","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502374","8.3672","0.0006","8.3672","0.0006","41.378","0.006","90","","90","","120","","2508.8","0.4","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H25 N O S -","- C18 H25 N O S -","- C108 H150 N6 O6 S6 -","6","1","","Collett, Nathan D.; Carter, Rich G.","Stereoselective synthesis of the eastern quinolizidine portion of himeradine A.","Organic letters","2011","13","15","4144","4147","10.1021/ol201704g","","","0.71073","MoKα","","0.0384","0.0327","","","0.0699","0.0737","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503415","18.5358","0.0018","18.5358","0.0018","10.8967","0.0015","90","","90","","120","","3242.3","0.6","295","2","295","2","","","","","","","","5","P 61","P 61","169","","","","- C22 H20 Br N O4 -","- C22 H20 Br N O4 -","- C132 H120 Br6 N6 O24 -","6","1","","Hong, Bor-Cherng; Kotame, Prakash; Tsai, Chih-Wei; Liao, Ju-Hsiou","Enantioselective total synthesis of (+)-conicol via cascade three-component organocatalysis.","Organic letters","2010","12","4","776","779","10.1021/ol902840x","","","0.71073","MoKα","","0.0938","0.0528","","","0.1005","0.1137","","","","","","0.939","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503484","12.57","0.003","12.57","","23.061","0.005","90","","90","","120","","3155.6","1","150","2","150","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C126 H180 N12 O24 -","6","1","","Jacolot, Maiwenn; Jean, Mickael; Levoin, Nicolas; van de Weghe, Pierre","The Prins reaction using ketones: rationalization and application toward the synthesis of the portentol skeleton.","Organic letters","2012","14","1","58","61","10.1021/ol202829u","","x-ray","0.71073","MoKα","","0.0473","0.0363","","","0.0798","0.085","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503592","10.9498","0.0002","10.9498","0.0002","77.5761","0.0019","90","","90","","120","","8055.1","0.3","240","2","240","2","","","","","","","","6","P 61","P 61","169","","","","- C23.5 H33 Cl I N O6 -","- C23.5 H33 Cl I N O6 -","- C282 H396 Cl12 I12 N12 O72 -","12","2","","Fairhurst, Nathan W. G.; Mahon, Mary F.; Munday, Rachel H.; Carbery, David R.","Remote stereocontrol in [3,3]-sigmatropic rearrangements: application to the total synthesis of the immunosuppressant mycestericin g.","Organic letters","2012","14","3","756","759","10.1021/ol203300k","","","1.54184","CuKα","","0.0533","0.0498","","","0.1255","0.1283","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504885","19.314","0.003","19.314","0.003","10.066","0.002","90","","90","","120","","3251.9","1","113","2","113","2","","","","","","","","4","P 61","P 61","169","","","","- C25.5 H24 N2 O2.5 -","- C25.51 H24.04 N2 O2.51 -","- C153.06 H144.24 N12 O15.06 -","6","1","","Yao, Pei-Yuan; Zhang, Yu; Hsung, Richard P.; Zhao, Kang","A sequential metal-catalyzed C-N bond formation in the synthesis of 2-amido-indoles.","Organic letters","2008","10","19","4275","4278","10.1021/ol801711p","","","0.71073","MoKα","","0.0524","0.0487","","","0.1341","0.1372","","","","","","1.105","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507884","27.994","0.003","27.994","0.003","10.3401","0.0008","90","","90","","120","","7017.5","1.2","93","","93","","","","","","","","","4","P 61","P 61","169","","","","- C46 H71 N3 O7 -","- C46 H71 N3 O7 -","- C276 H426 N18 O42 -","6","1","","Tanaka, Naonobu; Suto, Shohei; Ishiyama, Haruaki; Kubota, Takaaki; Yamano, Akihito; Shiro, Motoo; Fromont, Jane; Kobayashi, Jun'ichi","Halichonadins K and L, new dimeric sesquiterpenoids from a sponge Halichondria sp.","Organic letters","2012","14","13","3498","3501","10.1021/ol3014705","","","1.54187","CuKα","","","0.0549","","","","0.111","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513353","15.9539","0.0006","15.9539","0.0006","14.7843","0.0005","90","","90","","120","","3258.9","0.2","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C12 H19 Br N2 O3 Zn -","- C12 H17 Br N2 O3 Zn -","- C72 H102 Br6 N12 O18 Zn6 -","6","1","","Kuang, Xuan; Ma, Yu; Su, Hao; Zhang, Jine; Dong, Yu-Bin; Tang, Bo","High-performance liquid chromatographic enantioseparation of racemic drugs based on homochiral metal-organic framework.","Analytical chemistry","2014","86","2","1277","1281","10.1021/ac403674p","","","0.71073","MoKα","","0.0841","0.0513","","","0.1124","0.1294","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514182","14.4465","0.0004","14.4465","0.0004","10.0082","0.0006","90","","90","","120","","1808.89","0.13","296","2","296","2","","","","","","","","4","P 61","P 61","169","","","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","","Altheimer, Benjamin D; Mehta, Manish A","Effects of structural differences on the NMR chemical shifts in isostructural dipeptides.","The journal of physical chemistry. A","2014","118","14","2618","2628","10.1021/jp411220y","","","0.71073","MoKα","","0.0449","0.0354","","","0.0935","0.0988","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514222","26.574","0.0004","26.574","0.0004","6.5612","0.0001","90","","90","","120","","4012.62","0.11","140","2","140","2","","","","","","","","3","P 61","P 61","169","","","","- C29 H46 O3 -","- C29 H46 O3 -","- C174 H276 O18 -","6","1","","Gong, Jun; Sun, Peng; Jiang, Nan; Riccio, Raffaele; Lauro, Gianluigi; Bifulco, Giuseppe; Li, Tie-Jun; Gerwick, William H; Zhang, Wen","New Steroids with a Rearranged Skeleton as (h)P300 Inhibitors from the Sponge Theonella swinhoei.","Organic letters","2014","16","8","2224","2227","10.1021/ol5007345","","","1.54178","CuKα","","0.0903","0.0805","","","0.2237","0.2327","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516077","8.268","0.003","8.268","0.003","48.704","0.015","90","","90","","120","","2883.3","1.7","173","","173","","","","","","","","","4","P 61","P 61","169","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C126 H156 N12 O30 -","6","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.0343","","","","0.1391","","","","","","1.252","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517832","6.438","0.001","6.438","0.001","17.898","0.004","90","","90","","120","","642.4","0.2","","","","","","","","","","","","2","P 61","P 61","169","alpha-Al2S3","","","- Al2 S3 -","- Al2 S3 -","- Al12 S18 -","6","1","","Krebs, Bernt; Schiemann, Anke; Lage, Mechtild","Synthese und kristallstruktur einer neuen hexagonalen modifikation con Al2S3 mit funffach koordiniertem aluminium","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","983","988","","","x-ray","0.71069","MoKα","","","0.0371","","","0.0359","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517833","6.491","0.001","6.491","0.001","17.169","0.004","90","","90","","120","","626.5","0.2","","","","","","","","","","","","2","P 61","P 61","169","Al2S3-tbp","","","- Al2 S3 -","- Al2 S3 -","- Al12 S18 -","6","1","","Krebs, Bernt; Schiemann, Anke; Lage, Mechtild","Synthese und kristallstruktur einer neuen hexagonalen modifikation con Al2S3 mit funffach koordiniertem aluminium","Zeitschrift fuer Anorganische und Allgemeine Chemie","1993","619","","983","988","","","x-ray","0.71069","MoKα","","","0.0253","","","0.0328","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1527023","6.843","","6.843","","19.35","","90","","90","","120","","784.702","","","","","","","","","","","","","3","P 61","P 61","169","","(Ga0.6 In0.4)2 Se3","","- Ga1.2 In0.8 Se3 -","- Ga1.2 In0.8 Se3 -","- Ga7.2 In4.8 Se18 -","6","1","","Ye, J.; Hanada, T.; Nakamura, Y.; Nittono, O.","X-ray crystallographic study of the optically active semiconductor (Gax In1-x)2 Se3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","62","","16549","16554","","","","","","","","","","","","","","","","","","","","","","has coordinates","148311","2020-10-21","18:00:00",""
"1527024","6.985","","6.985","","18.99","","90","","90","","120","","802.395","","","","","","","","","","","","","3","P 61","P 61","169","","(Ga0.4 In0.6)2 Se3","","- Ga0.8 In1.2 Se3 -","- Ga0.8 In1.2 Se3 -","- Ga4.8 In7.2 Se18 -","6","1","","Ye, J.; Hanada, T.; Nakamura, Y.; Nittono, O.","X-ray crystallographic study of the optically active semiconductor (Gax In1-x)2 Se3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","62","","16549","16554","","","","","","","","","","","","","","","","","","","","","","has coordinates","148312","2020-10-21","18:00:00",""
"1530689","21.0551","0.0006","21.0551","0.0006","13.925","0.0005","90","","90","","120","","5346.1","0.3","150","0.02","150","0.02","","","","","","","","6","P 61","P 61","169","","","","- C29 H49 Cl N2 O3 S -","- C29 H49 Cl N2 O3 S -","- C174 H294 Cl6 N12 O18 S6 -","6","1","","Martinot, Theodore A.; Austad, Brian C.; Côté, Alexandre; Depew, Kristopher M.; Genov, Daniel; Grenier, Louis; Helble, Joseph; Lescarbeau, Andre; Nair, Somarajan; Trudeau, Martin; White, Priscilla; Yu, Lin-Chen","A Design of Experiments Approach to a Robust Final Deprotection and Reactive Crystallization of IPI-926, A Novel Hedgehog Pathway Inhibitor","Organic Process Research & Development","2015","19","11","1693","","10.1021/acs.oprd.5b00214","","","1.54184","CU-Kα","","0.094","0.083","","","0.218","0.234","","","","","","1.101","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530882","6.385","","6.385","","18.04","","90","","90","","120","","636.926","","","","","","","","","","","","","2","P 61","P 61","169","","","","- Ga2 S3 -","- Ga2.02 S3 -","- Ga12.12 S18 -","6","1","","Tomas, A.; Guymont, M.; Pardo, M.P.; Guittard, M.; Famery, R.","Determination des structures des formes alpha and beta de Ga2 S3","Materials Research Bulletin","1987","22","","1549","1554","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536075","5.297","","5.297","","27.596","","90","","90","","120","","670.559","","","","","","","","","","","","","4","P 61","P 61","169","","Li2 (H3 I O6)","","- H3 I Li2 O6 -","- I Li2 O6 -","- I6 Li12 O36 -","6","1","","Jansen, M.; Kraft, T.","Li2H3IO6, eine neue Variante der Molybdaenitstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","53","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538362","6.397","","6.397","","18.027","","90","","90","","120","","638.862","","","","","","","","","","","","","3","P 61","P 61","169","","Mn.23 Ga1.85 S3","","- Ga1.85 Mn0.23 S3 -","- Ga1.84 Mn0.23 S3 -","- Ga11.04 Mn1.38 S18 -","6","1","","Nguyen, H.D.; Pardo, M.P.; Dogguy Smiri, L.","Contribution a l'etude du polymorphisme de Ga2 S3: structure cristalline de Mn.23 Ga1.85 S3","Materials Research Bulletin","1982","17","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","166875","2020-10-21","18:00:00",""
"1544313","9.2437","0.0008","9.2437","0.0008","47.683","0.004","90","","90","","120","","3528.5","0.5","100","2","100","2","","","","","","","","5","P 61","P 61","169","","Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)]","","- C18 H30 N10 O3 Zn2 -","- C18 H30 N10 O3 Zn2 -","- C108 H180 N60 O18 Zn12 -","6","1","WM4025","Kuramoto, Takahiro; Sadakiyo, Masaaki; Yamauchi, Miho","Poly[tris{μ-2-[(dimethylamino)methyl]imidazolato-κ^3^<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^3^}(nitrato-κ<i>O</i>)dizinc(II)]","IUCrData","2016","1","10","x161626","","10.1107/S2414314616016266","","","0.71069","MoKα","","0.0263","0.0246","","","0.0602","0.0607","","","","","","1.034","","","","has coordinates,has Fobs","187413","2020-10-21","18:00:00",""
"1544493","22.8955","0.0003","22.8955","0.0003","9.7127","0.0002","90","","90","","120","","4409.31","0.12","130","2","130","","","","","","","","","3","P 61","P 61","169","","","","- C26 H40 O10 -","- C26 H40 O10 -","- C156 H240 O60 -","6","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0573","0.0524","","","0.1456","0.1509","","","","","","1.051","","","","has coordinates","187855","2020-10-21","18:00:00",""
"1545971","21.1037","0.0008","21.1037","0.0008","10.4985","0.0006","90","","90","","120","","4049.3","0.3","113.15","","113.15","","","","","","","","","4","P 61","P 61","169","","","","- C33 H35 N O -","- C33 H35 N O -","- C198 H210 N6 O6 -","6","1","","Sun, Hui; Cui, Bin; Duan, Lili; Li, Yue-Ming","Intramolecular Aminoalkoxylation of Unfunctionalized Olefins via Intramolecular Iodoamination and Aziridinium Ion Ring-Opening Sequence.","Organic letters","2017","19","7","1520","1523","10.1021/acs.orglett.7b00284","","","0.71073","MoKα","","0.0367","0.0326","","","0.0788","0.0813","","","","","","1.051","","","","has coordinates","196101","2020-10-21","18:00:00",""
"1546695","10.5372","0.0004","10.5372","0.0004","29.971","0.0011","90","","90","","120","","2881.92","0.19","296","2","296","2","","","","","","","","5","P 61","P 61","169","","<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide","","- C18 H27 Cl2 N O -","- C18 H27 Cl2 N O -","- C108 H162 Cl12 N6 O6 -","6","1","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Taourirte, Moha; Oukhrib, Abdelouahd; Berraho, Moha","<i>N</i>-[(1a<i>R</i>,5a<i>R</i>,8<i>R</i>,9a<i>R</i>)-1,1-Dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-yl]acetamide","IUCrData","2017","2","4","x170492","","10.1107/S2414314617004928","","","0.71073","MoKα","","0.0464","0.0392","","","0.1016","0.1086","","","","","","1.077","","","","has coordinates,has Fobs","199289","2020-10-21","18:00:00",""
"1548954","21.247","0.0009","21.247","","11.2694","0.0005","90","","90","","120","","4405.8","0.3","291","2","291","2","","","","","","","","4","P 61","P 61","169","","3,3-dimethyl-2-(4-(methylsulfonyl)phenyl)non-4-yn-2-yl [1,1'-biphenyl]-4-carboxylate","","- C31 H34 O4 S -","- C31 H34 O4 S -","- C186 H204 O24 S6 -","6","1","","Zhao, Jian; Jonker, Sybrand J. T.; Meyer, Denise N.; Schulz, Göran; Tran, C. Duc; Eriksson, Lars; Szabó, Kálmán J","Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration.","Chemical science","2018","9","13","3305","3312","10.1039/c7sc05123a","","","0.71073","MoKα","","0.0968","0.0638","","","0.1733","0.1943","","","","","","1.092","","","","has coordinates","228777","2020-10-21","18:00:00",""
"1549376","16.963","0.003","16.963","0.003","11.4256","0.0018","90","","90","","120","","2847.2","0.8","93","","93","","","","","","","","","7","P 61","P 61","169","","","","- C19 H13 Br F3 N O3 S -","- C19 H11 Br F3 N O3 S -","- C114 H66 Br6 F18 N6 O18 S6 -","6","1","","Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.","Chemical science","2018","9","21","4909","4918","10.1039/c8sc01324a","","","0.71075","MoKα","","0.0435","0.0382","","","0.097","0.0988","","","","","","1.022","","","","has coordinates","228831","2020-10-21","18:00:00",""
"1551076","15.0667","0.0004","15.0667","0.0004","22.0098","0.0009","90","","90","","120","","4327","0.2","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C35 H25 Br N2 O2 -","- C35 H25 Br N2 O2 -","- C210 H150 Br6 N12 O12 -","6","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.0574","0.0439","","","0.0885","0.1009","","","","","","1.057","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1552572","11.4676","0.0005","11.4676","0.0005","38.8463","0.0019","90","","90","","120","","4424.1","0.3","200","2","200","2","","","","","","","","5","P 61","P 61","169","","","","- C32 H39 F3 N O9 -","- C32 H39 F3 N O9 -","- C192 H234 F18 N6 O54 -","6","1","","Chen, Shu-Rong; Wang, Shih-Wei; Chang, Fang-Rong; Cheng, Yuan-Bin","Anti-Lymphangiogenic Alkaloids from the Zoanthid <i>Zoanthus vietnamensis</i> Collected in Taiwan.","Journal of natural products","2019","82","10","2790","2799","10.1021/acs.jnatprod.9b00451","","","1.54178","CuKα","","0.1894","0.0862","","","0.189","0.2633","","","","","","0.997","","","","has coordinates","222093","2020-10-21","18:00:00",""
"1552608","36.4492","0.0005","36.4492","0.0005","9.48811","0.00018","90","","90","","120","","10916.6","0.3","292.2","0.5","292.2","0.5","","","","","","","","4","P 61","P 61","169","","","","- C60 H90 N2 O16 -","- C60 H90 N2 O16 -","- C360 H540 N12 O96 -","6","1","","Long, Yi; Tang, Ting; Wang, Li-Ying; He, Bin; Gao, Kun","Absolute Configuration and Biological Activities of Meroterpenoids from an Endophytic Fungus of <i>Lycium barbarum</i>.","Journal of natural products","2019","82","8","2229","2237","10.1021/acs.jnatprod.9b00288","","","1.54184","CuKα","","0.0737","0.0609","","","0.1552","0.1681","","","","","","1.037","","","","has coordinates,has disorder","222130","2020-10-21","18:00:00",""
"1553867","18.5578","0.0009","18.5578","0.0009","9.8682","0.0006","90","","90","","120","","2943.2","0.3","296","","296","","","","","","","","","4","P 61","P 61","169","","","","- C23 H20 N O2 -","- C23 H21 N O2 -","- C138 H126 N6 O12 -","6","1","","Wu, Jia-Le; Wang, Jing-Yi; Wu, Ping; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric C2-nucleophilic substitutions of C3-substituted indoles with ortho-hydroxybenzyl alcohols","Organic Chemistry Frontiers","2017","4","12","2465","","10.1039/C7QO00649G","","","1.54178","CuKα","","0.0543","0.0434","","","0.1186","0.1284","","","","","","1.015","","","","has coordinates","236104","2020-10-21","18:00:00",""
"1555280","27.637","0.018","27.637","0.018","11.845","0.008","90","","90","","120","","7835","9","100","2","100","2","","","","","","","","4","P 61","P 61","169","Boc-(UgFNM)2-NHMe","Boc-(UgFNM)2-NHMe","","- C44 H71 N7 O12 -","- C44 H71 N7 O12 -","- C264 H426 N42 O72 -","6","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","","0.71073","MoKα","","0.2669","0.1189","","","0.2095","0.2638","","","","","","0.928","","","","has coordinates","238433","2020-10-21","18:00:00",""
"1555742","14.6129","0.0006","14.6129","0.0006","14.5834","0.0006","90","","90","","120","","2696.88","0.19","290.8","0.2","290.8","0.2","","","","","","","","5","P 61","P 61","169","","","","- C15 H19 Cl2 N O2 -","- C15 H19 Cl2 N O2 -","- C90 H114 Cl12 N6 O12 -","6","1","","Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Asymmetric Total Synthesis of (-)-Lycospidine A.","Organic letters","2016","18","18","4682","4685","10.1021/acs.orglett.6b02322","","x-ray","1.54184","CuKα","","0.0682","0.0466","","","0.1113","0.1229","","","","","","0.993","","","","has coordinates","239073","2020-10-21","18:00:00",""
"1556984","13.718","0.001","13.718","0.001","21.48","0.0017","90","","90","","120","","3500.6","0.5","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C25 H25 N5 O5 -","- C25 H25 N5 O5 -","- C150 H150 N30 O30 -","6","1","","Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui","Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.","Journal of natural products","2020","83","1","169","173","10.1021/acs.jnatprod.9b01000","","","1.54178","CuKα","","0.0382","0.0361","","","0.1184","0.1219","","","","","","1.063","","","","has coordinates","247536","2020-10-21","18:00:00",""
"1559731","28.129","0.0008","28.129","0.0008","10.2773","0.0004","90","","90","","120","","7042.4","0.4","173","2","173","2","","","","","","","","6","P 61","P 61","169","","","","- C55.17 H44.33 N4 O P Zn -","- C55.1669 H44.3336 N4 O P Zn -","- C331.001 H266.002 N24 O6 P6 Zn6 -","6","1","","Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak","A chiroptical approach for the absolute stereochemical determination of <i>P</i>-stereogenic centers.","Chemical science","2020","12","5","1750","1755","10.1039/d0sc02940h","","","1.54178","CuKα","","0.198","0.088","","","0.2059","0.2611","","","","","","0.957","","","","has coordinates,has disorder","267054","2021-07-05","16:45:31",""
"1562339","10.56998","0.00005","10.56998","0.00005","56.6723","0.0003","90","","90","","120","","5483.4","0.05","293","2","294.15","","","","","","","","","3","P 61","P 61","169","","","","- C40 H52 O11 -","- C40 H52 O11 -","- C240 H312 O66 -","6","1","","Zhang, Dong-Li; Li, Min; Han, Gui-Fang; Li, Shao-Yong; Jin, De-Jun; Tang, Sheng-An","Longipetalol A: A Highly Modified Triterpenoid from <i>Dichapetalum longipetalum</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00068","","x-ray","1.54184","CuKα","","0.0363","0.0361","","","0.1023","0.1025","","","","","","1.053","","","","has coordinates,has disorder","264736","2021-04-30","23:33:29",""
"1563273","26.9599","0.0004","26.9599","0.0004","11.349","0.0002","90","","90","","120","","7143.7","0.2","270.82","0.19","270.82","0.19","","","","","","","","5","P 61","P 61","169","","","","- C36 H38 Cl Ir N4 -","- C36 H38 Cl Ir N4 -","- C216 H228 Cl6 Ir6 N24 -","6","1","","Yan, Zhi-Bo; Peng, Meng; Chen, Qi-Long; Lu, Ka; Tu, Yong Qiang; Dai, Kun Long; Zhang, Fu-Min; Zhang, Xiao-Ming","An Effective and Versatile Strategy for the Synthesis of Structurally Diverse Heteroarylsilanes via Ir(III)-Catalyzed C−H Silylation","Chemical Science","2021","","","","","10.1039/D1SC02344F","","x-ray","1.54184","CuKα","","0.0445","0.0417","","","0.1134","0.1154","","","","","","1.077","","","","has coordinates","266340","2021-06-10","01:30:44",""
"1564371","17.031","0.0006","17.031","0.0006","23.5742","0.0012","90","","90","","120","","5921.7","0.4","193","2","193","2","","","","","","","","6","P 61","P 61","169","","","","- C29 H65 N3 O13 P3 Tb -","- C29 H65 N3 O13 P3 Tb -","- C174 H390 N18 O78 P18 Tb6 -","6","1","","Weng, Guo-Guo; Hong, Ben-Kun; Bao, Song-Song; Wen, Yujie; Wu, Lan-Qing; Huang, Xin-Da; Jia, Jia-Ge; Wen, Ge-Hua; Li, Shuhua; Peng, Luming; Zheng, Li-Min","From helix to superhelix: hierarchical assembly of homochiral van der Waals 1D coordination polymers","Chemical Science","2021","","","","","10.1039/D1SC01913A","","","1.34139","GaKα","","0.0395","0.0368","","","0.0889","0.0907","","","","","","1.035","","","","has coordinates","268125","2021-08-18","22:11:12",""
"1564868","8.673","0.016","8.673","0.016","36.26","0.07","90","","90","","120","","2362","8","296","2","296","2","","","","","","","","6","P 61","P 61","169","","","","- C9 H21 Mo N3 O S4 -","- C9 H21 Mo N3 O S4 -","- C54 H126 Mo6 N18 O6 S24 -","6","1","","Zhang, Cai-Xia; Fang, Duo-Wen; Wang, Jun-Ling; Jia, Ai-Quan; Zhang, Qian-Feng","Syntheses, characterizations, and reactivities of new 1,4,7-trimethyl-l,4,7-triazacyclononane (Me3tacn) molybdenum and tungsten complexes","Inorganica Chimica Acta","2020","507","","119599","","10.1016/j.ica.2020.119599","","","0.71073","MoKα","","0.1045","0.0594","","","0.1432","0.1737","","","","","","0.939","","","","has coordinates","269833","2021-10-07","07:35:26",""
"1564960","10.7164","0.0011","10.7164","0.0011","47.139","0.007","90","","90","","120","","4688.2","1","100","2","100","2","","","","","","","","5","P 61","P 61","169","[CuI(14-S~4~)]BPh4","","","- C34 H40 B Cu S4 -","- C33.99 H39.98 B Cu S3.996 -","- C203.94 H239.88 B6 Cu6 S23.976 -","6","1","","Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried","Syntheses and investigation of metal complexes with macrocyclic polythioether ligands.","Faraday discussions","2022","234","0","70","85","10.1039/d1fd00062d","","","0.71073","MoKα","","0.0507","0.04","","","0.0994","0.1076","","","","","","1.037","","","","has coordinates,has disorder","275781","2022-06-06","01:45:46",""
"1565106","22.7073","0.0005","22.7073","0.0005","9.0908","0.0002","90","","90","","120","","4059.42","0.15","292","110","292","110","","","","","","","","5","P 61","P 61","169","","","","- C28 H28 N2 O4 S -","- C28 H28 N2 O4 S -","- C168 H168 N12 O24 S6 -","6","1","","Mukherjee, Kallol; Grimblat, Nicolas; Sau, Somratan; Ghosh, Koushik; Shankar, Majji; Gandon, Vincent; Sahoo, Akhila K.","Kinetic resolution of sulfur-stereogenic sulfoximines by Pd(ii)–MPAA catalyzed C–H arylation and olefination","Chemical Science","2021","","","","","10.1039/D1SC04299H","","x-ray","0.71073","MoKα","","0.0831","0.0519","","","0.1281","0.145","","","","","","1.015","","","","has coordinates","270274","2021-11-03","23:17:19",""
"1565712","10.6783","0.0002","10.6783","0.0002","37.8191","0.0007","90","","90","","120","","3734.62","0.12","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C26 H26 N4 O4 Ru -","- C26 H26 N4 O4 Ru -","- C156 H156 N24 O24 Ru6 -","6","1","","Deka, Rajesh; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations","Inorganica Chimica Acta","2020","499","","119193","","10.1016/j.ica.2019.119193","","","0.71073","MoKα","","0.0305","0.0296","","","0.0721","0.0727","","","","","","1.071","","","","has coordinates,has disorder","271366","2021-12-13","12:48:31",""
"1565837","17.6742","0.0003","17.6742","0.0003","11.6231","0.0003","90","","90","","120","","3144.36","0.11","170","2","170","2","","","","","","","","3","P 61","P 61","169","","","","- C25 H20 O4 -","- C25 H20 O4 -","- C150 H120 O24 -","6","1","","Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade","Chemical Science","2022","13","4","1163","1168","10.1039/D1SC06025B","","","1.54178","CuKα","","0.0429","0.0383","","","0.1018","0.1046","","","","","","1.089","","","","has coordinates","272582","2022-02-04","19:13:11",""
"1566353","11.8419","0.0001","11.8419","0.0001","27.2204","0.0001","90","","90","","120","","3305.73","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 61","P 61","169","","","","- C20 H31 F N2 O4 -","- C20 H31 F N2 O4 -","- C120 H186 F6 N12 O24 -","6","1","","Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.","Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction","Chemical Science","2022","","","","","10.1039/D1SC05910F","","x-ray","1.54184","CuKα","","0.0235","0.0232","","","0.0584","0.0586","","","","","","1.052","","","","has coordinates","272951","2022-02-14","23:10:12",""
"1566356","11.84105","0.00005","11.84105","0.00005","27.02804","0.00015","90","","90","","120","","3281.9","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 61","P 61","169","","","","- C20 H32 N2 O4 -","- C20 H32 N2 O4 -","- C120 H192 N12 O24 -","6","1","","Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.","Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction","Chemical Science","2022","","","","","10.1039/D1SC05910F","","x-ray","1.54184","CuKα","","0.0278","0.0276","","","0.0742","0.0744","","","","","","1.083","","","","has coordinates","272951","2022-02-14","23:10:13",""
"1567984","17.4778","0.0004","17.4778","0.0004","9.964","0.0002","90","","90","","120","","2635.95","0.1","149.99","0.1","149.99","0.1","","","","","","","","2","P 61","P 61","169","","","","- C22 H24 -","- C22 H24 -","- C132 H144 -","6","1","","Huo, Chen-Yu; Zheng, Tian-Lu; Dai, Wei-Hao; Zhang, Zi-Hao; Wang, Jin-Da; Zhu, Dao-Yong; Wang, Shao-Hua; Zhang, Xiao-Ming; Xu, Xue-Tao","InI3-catalyzed polyene cyclization of allenes and its application in the total synthesis of seven abietane-type diterpenoids","Chemical Science","2022","","","","","10.1039/D2SC04229K","","x-ray","1.54184","CuKα","","0.0446","0.0408","","","0.1093","0.1125","","","","","","1.083","","","","has coordinates","279332","2022-11-16","23:17:54",""
"2000520","9.307","0.002","9.307","0.002","44.432","","90","","90","","120","","3333.1","1","","","","","","","","","","","","6","P 61","P 61","","","","","- C19 H26 Cl Cu N3 O7 -","- C19 H14 Cl Cu N3 O7 -","- C114 H84 Cl6 Cu6 N18 O42 -","6","1","MU0253","Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.","Mixed chelate complexes. III. Structures of (<small>L</small>-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(<small>L</small>-tyrosinato)copper(II) chloride trihydrate","Acta Crystallographica Section C","1992","48","10","1785","1788","10.1107/S0108270192000568","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","191086","2020-10-21","18:00:00",""
"2004268","12.017","0.001","12.017","0.001","32.942","0.002","90","","90","","120","","4119.8","0.5","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C24 H40 Co N5 O4 -","- C24 H40 Co N5 O4 -","- C144 H240 Co6 N30 O24 -","6","1","KA1115","Giese, B.; Hartung, J.; Lindner, H.-J.; Svoboda, I.; Paulus, H.","The Helical Packing of a Chiral Alkyl Cobaloxime in the Solid State","Acta Crystallographica Section C","1995","51","12","2522","2524","10.1107/S0108270195007189","","","0.71069","MoKα","","0.0674","0.0471","","0.1665","0.1283","","","","1.093","0.941","0.941","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004579","12.942","0.003","12.942","0.003","29.326","0.006","90","","90","","120","","4253.9","1.6","295","2","295","2","","","","","","","","5","P 61","P 61","169","","bis(4,4'-dimethyl-2,2'-bipyridine-N,N')(4,5-dihydroxy-1,2-benzoquinonate-O,O')- nickel(II) monohydrate","","- C30 H28 N4 Ni O5 -","- C30 H27 N4 Ni O5 -","- C180 H162 N24 Ni6 O30 -","6","1","BK1126","Decurtins, S.; Schmalle, H. W.; Schneuwly, P.; Zheng, L.-M.","Two 2,5-Dihydroxy-1,4-benzoquinonate-<i>O</i>,<i>O</i>'-Containing Mononuclear Complexes: [Cu(C~6~H~2~O~4~)(C~8~H~6~N~4~)(H~2~O)].5H~2~O and [Ni(C~6~H~2~O~4~)(C~12~H~12~N~2~)~2~].H~2~O (C~8~H~6~N~4~ = 2,2'-Bipyrimidine, C~12~H~12~N~2~ = 4,4'-Dimethyl-2,2'-bipyridine)","Acta Crystallographica Section C","1996","52","3","561","566","10.1107/S0108270195010298","","","0.71073","MoKα","","0.1479","0.0521","","0.1812","0.1259","","","","1.233","1.215","1.215","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005170","14.424","0.004","14.424","0.004","9.996","0.006","90","","90","","120","","1801.1","1.3","120","2","120","2","","","","","","","","4","P 61","P 61","169","","","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","PA1220","Görbitz, C. H.; Gundersen, E.","<small>L</small>-Valyl-<small>L</small>-alanine","Acta Crystallographica Section C","1996","52","7","1764","1767","10.1107/S0108270196002302","","","0.71069","MoKα","","0.2111","0.0854","","0.1685","0.1326","","","","0.954","1.257","1.257","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005376","17.172","0.004","17.172","0.004","14.965","0.009","90","","90","","120","","3822","3","293","2","293","2","","","","","","","","3","P 61","P 61","169","Diester of 16α-hydroxy-prednisolone","21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione monohydrate","","- C26 H36 O9 -","- C26 H36 O9 -","- C156 H216 O54 -","6","1","KA1173","Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.","21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione Monohydrate","Acta Crystallographica Section C","1996","52","9","2288","2290","10.1107/S0108270196002533","","","1.54178","CuKα","","0.095","0.058","","0.1678","0.1477","","","","1.005","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009721","21.938","0.004","21.938","0.004","6.87","0.001","90","","90","","120","","2863.4","0.8","293","","","","","","","","","","","3","P 61","P 61","","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C126 H180 O12 -","6","1","NA1051","Puliti, R.; De Rosa, S.; Mattia, C. A.","Avarol, a sesquiterpenoid hydroquinone from <i>Dysidea avara</i>","Acta Crystallographica Section C","1994","50","5","830","833","10.1107/S0108270193011497","","","1.54056","CuKα","","","0.044","","","0.043","","","","","0.79","0.79","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2013579","37.6488","0.0015","37.6488","0.0015","9.6613","0.0008","90","","90","","120","","11859.6","1.2","105","2","105","2","","","","","","","","5","P 61","P 61","169","","L-Methionyl-L-alanine","","- C8 H16 N2 O3 S -","- C7.99157 H15.9759 N2 O3 S0.999714 -","- C335.646 H670.986 N84 O126 S41.988 -","42","7","FG1702","Görbitz, Carl Henrik","<small>L</small>-Methionyl-<small>L</small>-alanine: a dipeptide with hexagonal symmetry and <i>Z</i>' = 7","Acta Crystallographica Section C","2003","59","10","o589","o592","10.1107/S0108270103019280","","","0.71073","MoKα","","0.154","0.058","","","0.108","0.145","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015632","13.4646","0.0012","13.4646","0.0012","9.8777","0.0007","90","","90","","120","","1550.9","0.2","100","","100","","","","","","","","","5","P 61","P 61","169","","catena-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine- 4-carboxylato(2-)] 1.72-hydrate]","","- C5 H8 Co N2 O8.72 -","- C5 H8 Co N2 O8.72 -","- C30 H48 Co6 N12 O52.32 -","6","1","BG3013","Şahin, Onur; Büyükgüngör, Orhan; Köse, Dursun Ali; Zümreoglu-Karan, Birgül; Necefoglu, Hacali","<i>catena</i>-Poly[[[triaquacobalt(II)]-μ-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato(2‒)] 1.72-hydrate]","Acta Crystallographica Section C","2006","62","11","m513","m515","10.1107/S010827010603767X","","","0.71073","MoKα","","0.0433","0.0379","","","0.0847","0.0866","","","","","","1.055","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018557","18.2223","0.0012","18.2223","0.0012","11.2387","0.0006","90","","90","","120","","3231.9","0.3","210","2","210","2","","","","","","","","3","P 61","P 61","169","CinerinC","(7<i>S</i>,8<i>R</i>,3'<i>R</i>,4'<i>S</i>,5'<i>R</i>)-Δ^8'^-4'-hydroxy- 5,5',3'-trimethoxy-3,4-methylenedioxy-2',3',4',5'-tetrahydro-2'-oxo- 7.3',8.5'-neolignan monohydrate","","- C22 H28 O8 -","- C22 H26 O7 -","- C132 H156 O42 -","6","1","BM3119","Coy-Barrera, Ericsson D.; Cuca-Suárez, Luis E.; Sefkow, Michael; Schilde, Uwe","Cinerin C: a macrophyllin-type bicyclo[3.2.1]octane neolignan from <i>Pleurothyrium cinereum</i> (Lauraceae)","Acta Crystallographica Section C","2012","68","8","o320","o322","10.1107/S0108270112030946","","","0.71073","MoKα","","0.0403","0.0364","","","0.0905","0.0923","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019777","7.4519","0.0001","7.4519","0.0001","31.8705","0.0007","90","","90","","120","","1532.69","0.04","173","2","173","2","","","","","","","","4","P 61","P 61","169","","4-Amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C66 H78 N18 O6 -","6","1","FN3185","Mnguni, Malitsatsi J.; Lemmerer, Andreas","A structural study of 4-aminoantipyrine and six of its Schiff base derivatives","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229614027247","","","0.71073","MoKα","","","0.033","","","","0.0832","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019896","13.3384","0.0019","13.3384","0.0019","24.957","0.005","90","","90","","120","","3845.3","1.1","293","2","293","2","","","","","","","","5","P 61","P 61","169","","Poly[[(μ~2~-acetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)(hydroxido-κ<i>O</i>)(μ~4~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^5^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^:<i>N</i>^5^)(μ~3~-5-nicotinamido-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^4^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^:<i>N</i>^4^:<i>N</i>^5^)dicadmium(II)] 0.75-hydrate]","","- C16 H15.5 Cd2 N12 O5.75 -","- C16 H14 Cd2 N12 O5.75 -","- C96 H84 Cd12 N72 O34.5 -","6","1","QS3042","Shi, Wei; Liu, Jian-Jun; Ou, Xiang-Ping; Huang, Chang-Cang","A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004258","","","0.71073","MoKα","","0.0462","0.0456","","","0.1046","0.1051","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2021264","14.981","0.009","14.981","0.009","27.897","0.017","90","","90","","120","","5422","6","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']europium(III)]","","- C36 H25 Eu N6 O14 -","- C36 H25 Eu N6 O14 -","- C216 H150 Eu6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0523","0.0433","","","0.1057","0.1094","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021266","14.9709","0.0018","14.9709","0.0018","27.952","0.003","90","","90","","120","","5425.5","1.1","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']gadolinium(III)]","","- C36 H25 Gd N6 O14 -","- C36 H25 Gd N6 O14 -","- C216 H150 Gd6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0916","0.0735","","","0.1591","0.1667","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021268","14.9066","0.0018","14.9066","0.0018","27.948","0.003","90","","90","","120","","5378.2","1.1","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']dysprosium(III)]","","- C36 H25 Dy N6 O14 -","- C36 H25 Dy N6 O14 -","- C216 H150 Dy6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0447","0.04","","","0.1067","0.1101","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021270","14.962","0.002","14.962","0.002","27.974","0.005","90","","90","","120","","5423.3","1.4","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']terbium(III)]","","- C36 H25 N6 O14 Tb -","- C36 H25 N6 O14 Tb -","- C216 H150 N36 O84 Tb6 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0551","0.0477","","","0.1121","0.115","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2100579","11.3588","0.0001","11.3588","0.0001","20.2725","0.0003","90","","90","","120","","2265.18","0.04","293","","293","","","","","","","","","3","P 61","P 61","169","triethyl-1,3,5-benzenetricarboxylate","triethyl-1,3,5-benzenetricarboxylate","","- C15 H18 O6 -","- C15 H18 O6 -","- C90 H108 O36 -","6","1","BM5031","Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C.","Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives","Acta Crystallographica, Section B","2006","62","2","864","874","10.1107/S0108768106020921","","","1.54056","CuKα~1~","","","","","","","","","","5.36","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100990","9.219","0.004","9.219","0.004","20.86","0.01","90","","90","","120","","1535.4","1.2","","","","","","","","","","","","5","P 61","P 61","","","","","- C4 H12 Br3 Cd N -","- C4 H12 Br3 Cd N -","- C24 H72 Br18 Cd6 N6 -","6","1","AL0552","Aguirre-Zamalloa, G.; Madariaga, G.; Couzi, M.; Breczewski, T.","X-ray diffraction study of the ferroelectric phase transition of (CH~3~)~4~NCdBr~3~ (TMCB)","Acta Crystallographica Section B","1993","49","4","691","698","10.1107/S010876819300182X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102921","10.3414","0.0004","10.3414","0.0004","37.086","0.002","90","","90","","120","","3434.8","0.3","293","","293","","","","","","","","","3","P 61","P 61","169","","Magnesium borohydrides","","- B2 H8 Mg -","- B2 H8 Mg -","- B60 H240 Mg30 -","30","5","LM5009","Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Grigorii L. Soloveichik; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao","Structure of unsolvated magnesium borohydride Mg(BH~4~)~2~","Acta Crystallographica Section B","2007","63","4","561","568","10.1107/S0108768107022665","","","0.700319","synchrotron","","","","","","","","","","1.187","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103452","14.1635","0.0008","14.1635","0.0008","9.8702","0.0005","90","","90","","120","","1714.74","0.16","150","2","150","2","","","","","","","","4","P 61","P 61","169","","L-Ala-L-Val acetonitrile solvate","","- C8.7 H17.05 N2.35 O3 -","- C8.827 H16 N2.376 O3 -","- C52.962 H96 N14.256 O18 -","6","1","OS0094","Görbitz, Carl Henrik","An exceptionally stable peptide nanotube system with flexible pores","Acta Crystallographica Section B","2002","58","5","849","854","10.1107/S0108768102012314","","","0.71073","MoKα","","0.0431","0.0352","","","0.0861","0.0903","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103453","14.2957","0.0003","14.2957","0.0003","9.9077","0.0002","90","","90","","120","","1753.53","0.06","150","2","150","2","","","","","","","","4","P 61","P 61","169","","L-Ala-L-Val","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","OS0094","Görbitz, Carl Henrik","An exceptionally stable peptide nanotube system with flexible pores","Acta Crystallographica Section B","2002","58","5","849","854","10.1107/S0108768102012314","","","0.71073","MoKα","","0.0438","0.0358","","","0.0906","0.0952","","","","","","1.042","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103454","14.3102","0.001","14.3102","0.001","9.8997","0.0007","90","","90","","120","","1755.7","0.2","150","2","150","2","","","","","","","","4","P 61","P 61","169","","L-Ala-L-Val methanol solvate","","- C10 H16 N2 O3 -","- C9.886 H16 N2 O3 -","- C59.316 H96 N12 O18 -","6","1","OS0094","Görbitz, Carl Henrik","An exceptionally stable peptide nanotube system with flexible pores","Acta Crystallographica Section B","2002","58","5","849","854","10.1107/S0108768102012314","","","0.71073","MoKα","","0.0661","0.0562","","","0.1452","0.1511","","","","","","1.23","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103455","28.7247","0.0016","28.7247","0.0016","9.9009","0.0008","90","","90","","120","","7074.8","0.8","150","2","293","2","","","","","","","","4","P 61","P 61","169","","L-Ala-L-Val 2-propanol solvate","","- C8.51 H15.6 N2 O3.44 -","- C8.53475 H15.5857 N1.997 O3.46125 -","- C204.834 H374.058 N47.928 O83.07 -","24","4","OS0094","Görbitz, Carl Henrik","An exceptionally stable peptide nanotube system with flexible pores","Acta Crystallographica Section B","2002","58","5","849","854","10.1107/S0108768102012314","","","0.71073","MoKα","","0.1015","0.1006","","","0.2703","0.2707","","","","","","1.195","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105528","14.564","0.003","14.564","0.003","20.282","0.005","90","","90","","120","","3725.7","1.4","198","2","198","2","","","","","","","","4","P 61","P 61","169","5-β-Cholanic acid -3-oxime","","","- C24 H39 N O3 -","- C24 H39 N O3 -","- C144 H234 N6 O18 -","6","1","AB0387","Maurin, J. K.","Oxime‒Carboxyl Hydrogen Bonds: the Preferred Interaction Determining Crystal Packing of `Carboxyoximes'","Acta Crystallographica Section B","1998","54","6","866","871","10.1107/S0108768198002171","","","0.71073","MoKα","","0.1253","0.0653","","0.2831","0.1489","","","","0.914","1.411","1.411","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105591","18.498","0.002","18.498","0.002","16.328","0.002","90","","90","","120","","4838.5","0.9","293","","","","","","","","","","","5","P 61","P 61","169","","","","- C32 H36 N2 Ni O8 -","- C32 H35 N2 Ni O8 -","- C192 H210 N12 Ni6 O48 -","6","1","KA0036","Główka, M. L.; Olczak, A.; Karolak-Wojciechowska, J.; Ciechanowska-Urbańska, E.","Classification and Distortion in Six-Coordinate Bis(salicylaldiminato)nickel(II) Complexes: Crystal Structure of Bis[2-[[(2-hydroxyphenyl)methylene]amino]-1-phenyl-1,3-propanediolato]nickel(II).2H~2~O","Acta Crystallographica Section B","1998","54","3","250","256","10.1107/S0108768197008951","","","1.54178","CuKα","","","0.042","","","0.042","","","","","1.75","1.75","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106212","9.709","","9.709","","19.343","","90","","90","","120","","1579.08","","","","","","","","","","","","","6","P 61","P 61","169","","Cs2 (Pt (C N)4) (H2 O)","","- C4 H2 Cs2 N4 O Pt -","- C4 H2 Cs2 N4 O Pt -","- C24 H12 Cs12 N24 O6 Pt6 -","6","1","","Johnson, P.L.; Koch, T.R.; Williams, J.M.","Structural studies of precursor and partially oxidized conducting complexes. VI. A neutron diffraction study of dicesium tetracyano-platinate(II) monohydrate","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1293","1295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106380","7.11","","7.11","","19.34","","90","","90","","120","","846.694","","","","","","","","","","","","","2","P 61","P 61","169","","","","- In2 Se3 -","- In2 Se3 -","- In12 Se18 -","6","1","","Likforman, A.; Hillel, R.; Carre, D.","Structure cristalline du seleniure d'indium In2 Se3","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107320","7.07","","7.07","","17.886","","90","","90","","120","","774.253","","","","","","","","","","","","","4","P 61","P 61","169","","Ba (N O2)2 (H2 O)","","- Ba H2 N2 O5 -","- Ba H2 N2 O5 -","- Ba6 H12 N12 O30 -","6","1","","Thomas, P.A.; Gomez, E.","Absolute chirality and crystal structure of barium nitrite monohydrate, Ba (N O2)2 (H2 O)","Acta Crystallographica B (39,1983-)","1989","45","","348","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2201003","11.075","0.005","11.075","0.005","24.4","0.04","90","","90","","120","","2592","5","293","2","293","2","","","","","","","","5","P 61","P 61","169","","3-acetoxymethyl-7-chloro-1,3-dihydro-1-methyl-5-phenyl- 2H-1,4-benzodiazepin-2-one","","- C19 H17 Cl N2 O3 -","- C19 H17 Cl N2 O3 -","- C114 H102 Cl6 N12 O18 -","6","1","YA6083","Višnjevac, Aleksandar; Avdagić, Amir; Kojić-Prodić, Biserka","3(<i>S</i>)-Acetoxymethyl-7-chloro-1,3-dihydro-1-methyl-5-phenyl-2<i>H</i>-1,4-benzodiazepin-2-one","Acta Crystallographica Section E","2002","58","2","o148","o150","10.1107/S1600536802000338","","","0.71069","MoKα","","0.221","0.052","","","0.114","0.154","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209906","9.9315","0.0008","9.9315","0.0008","29.113","0.005","90","","90","","120","","2486.8","0.5","293","2","293","2","","","","","","","","3","P 61","P 61","169","(3β,5α,6β,7β,14β)-Eudesmen-3,5,6,11-tetrol","(3S,5S,6R,7R,10S)-7-(2-hydroxy-2-propyl)-10-methyl-4- methyleneperhydronaphthalene-3,5,6-triol","","- C16 H30 O5 -","- C16 H30 O5 -","- C96 H180 O30 -","6","1","JH2020","Xiao-Lan Wang; Shu-Lin Peng; Jian Liang; Kai-Bei Yu","(3β,5α,6β,7β,14β)-Eudesmen-3,5,6,11-tetrol methanol solvate: a new sesquiterpenoid from <i>Chrysanthemum indicum</i> L.","Acta Crystallographica Section E","2006","62","8","o3570","o3571","10.1107/S1600536806028522","","","0.71073","MoKα","","0.0446","0.0329","","","0.0661","0.0683","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2212583","10.8105","0.0001","10.8105","","25.8402","0.0003","90","","90","","120","","2615.28","0.04","173","2","173","2","","","","","","","","5","P 61","P 61","169","","catena-poly[[ethyldiphenyltin(IV)]-μ-2-chloroacetato-κ^2^O:O']","","- C16 H17 Cl O2 Sn -","- C16 H17 Cl O2 Sn -","- C96 H102 Cl6 O12 Sn6 -","6","1","HB2303","Amini, Mostafa M.; Alijani, Vajihe; Azadmeher, Amirreza; Ng, Seik Weng","A hexagonal modification of <i>catena</i>-poly[[ethyldiphenyltin(IV)]-μ-2-chloroacetato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2007","63","3","m913","m914","10.1107/S1600536807008793","","","0.71073","MoKα","","0.043","0.04","","","0.112","0.114","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214505","11.4275","0.0003","11.4275","","20.9322","0.0006","90","","90","","120","","2367.27","0.09","295","2","295","2","","","","","","","","6","P 61","P 61","169","","<i>catena</i>-poly[[[triaqua(sulfato-κ<i>O</i>)zinc(II)]-μ- 4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","","- C10 H18 N2 O9 S Zn -","- C10 H8 N2 O9 S Zn -","- C60 H48 N12 O54 S6 Zn6 -","6","1","BG3045","Ng, Seik Weng","A reinvestigation of the space group of <i>catena</i>-poly[[[triaqua(sulfato-κ<i>O</i>)zinc(II)]-<i>{μ</i>}-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","Acta Crystallographica Section E","2007","63","8","m2225","m2226","10.1107/S1600536807035581","","","0.71073","MoKα","","0.0478","0.0451","","","0.1222","0.1245","","","","","","1.109","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214614","9.773","0.004","9.773","0.004","32.63","0.012","90","","90","","120","","2699","1.9","293","2","293","2","","","","","","","","4","P 61","P 61","169","","(3<i>R</i>,4S)-2-Isopropyl-3-methyl-4-phenyl-3,4-dihydroisoquinolinium iodide","","- C19 H22 I N -","- C19 H22 I N -","- C114 H132 I6 N6 -","6","1","DN2204","Ben Ali, Karim; Chiaroni, Angèle; Bohe, Luis","(3<i>R</i>,4<i>S</i>)-2-Isopropyl-3-methyl-4-phenyl-3,4-dihydroisoquinolinium iodide","Acta Crystallographica Section E","2007","63","8","o3355","o3355","10.1107/S1600536807030565","","","0.71073","MoKα","","0.0525","0.0377","","","0.0778","0.0855","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216482","10.1246","0.0006","10.1246","0.0006","29.528","0.003","90","","90","","120","","2621.3","0.3","294","2","294","2","","","","","","","","5","P 61","P 61","169","","Methyl 2-(1,3-dioxoisoindolin-2-yl)-3-(4-iodophenyl)propionate","","- C18 H14 I N O4 -","- C18 H14 I N O4 -","- C108 H84 I6 N6 O24 -","6","1","HB2624","Wu, Zhou; Shen, Peng; Jiang, Shende","(<i>S</i>)-Methyl 2-(1,3-dioxoisoindolin-2-yl)-3-(4-iodophenyl)propionate","Acta Crystallographica Section E","2007","63","12","o4871","o4871","10.1107/S1600536807055766","","","0.71073","MoKα","","0.0472","0.0409","","","0.1038","0.1079","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2226088","17.7635","0.0005","17.7635","0.0005","19.6294","0.0006","90","","90","","120","","5364.1","0.3","100","2","100","","","","","","","","","3","P 61","P 61","169","Xyloccensin E or phragmalin triacetate","(1<i>R</i>,4a<i>R</i>,4b<i>R</i>,6<i>S</i>,7a<i>R</i>, 8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,11a<i>R</i>,11b<i>S</i>,13a<i>R</i>, 16<i>R</i>)-methyl 8,9,16-triacetoxy-1-(3-furyl)decahydro-6,10,11a,13a-tetramethyl-3-oxo- 8<i>H</i>-6,11b-epoxy-4b,8:7a,10-dimethano-1<i>H</i>- benzopyrano[5,6-<i>d</i>][1,3]benzodioxepine-11-acetate","","- C35 H42 O14 -","- C35 H42 O14 -","- C210 H252 O84 -","6","1","CV2715","Sarigaputi, Chanin; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha","Xyloccensin E","Acta Crystallographica Section E","2010","66","6","o1348","o1349","10.1107/S1600536810016582","","","0.71073","MoKα","","","0.046","","","","0.1295","","","","","","1.103","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228742","10.1838","0.0013","10.1838","0.0013","25.965","0.003","90","","90","","120","","2332.1","0.5","173","2","173","2","","","","","","","","4","P 61","P 61","169","","(<i>S</i>)-<i>N</i>-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C108 H120 N12 O6 -","6","1","HG2752","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik. G.; Maguire, Glenn. E.M.","(<i>S</i>)-<i>N</i>-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2011","67","1","o67","","10.1107/S1600536810050361","","","0.71073","MoKα","","0.0581","0.0355","","","0.0766","0.0879","","","","","","1.049","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229228","20.753","0.003","20.753","0.003","10.446","0.002","90","","90","","120","","3896.2","1.1","293","2","293","2","","","","","","","","4","P 61","P 61","169","","1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydroquinolin- 4-yl]pyrrolidin-2-one","","- C28 H24 N4 O4 -","- C28 H24 N4 O4 -","- C168 H144 N24 O24 -","6","1","SJ5084","Gutierrez, Margarita; Astudillo, Luis; Quesada, Luisa; Brito, Iván; López-Rodríguez, Matías","1-[2-(4-Nitrophenyl)-5-(5-phenyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2-one","Acta Crystallographica Section E","2011","67","2","o308","o309","10.1107/S1600536810054048","","","0.71073","MoKα","","0.0902","0.0751","","","0.1554","0.1618","","","","","","1.215","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2230280","13.2581","0.0019","13.2581","0.0019","16.462","0.003","90","","90","","120","","2506","0.7","291","2","291","2","","","","","","","","4","P 61","P 61","169","","1,2;5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-nitromethyl-α-D-allofuranose","","- C13 H21 N O8 -","- C13 H21 N O8 -","- C78 H126 N6 O48 -","6","1","CV5090","Zhang, Qiurong; Ke, Yu; Cheng, Weiyan; Li, Pengyun; Liu, Hongmin","1,2;5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-nitromethyl-α-<small>D</small>-allofuranose","Acta Crystallographica Section E","2011","67","6","o1402","","10.1107/S1600536811017314","","","0.71073","MoKα","","0.0664","0.0614","","","0.1598","0.164","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231406","18.745","0.0002","18.745","0.0002","28.2531","0.0005","90","","90","","120","","8597.4","0.2","200","2","200","2","","","","","","","","6","P 61","P 61","169","","μ-Bromido-bis{μ-2,2'-[4,7-diazadecane-1,10- diylbis(nitrilomethanylylidene)]diphenolato}tricopper(II) bromide dimethylformamide disolvate","","- C50 H70 Br2 Cu3 N10 O6 -","- C50 H70 Br2 Cu3 N10 O6 -","- C300 H420 Br12 Cu18 N60 O36 -","6","1","BT5585","Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma","μ-Bromido-bis{μ-2,2'-[4,7-diazadecane-1,10-diylbis(nitrilomethanylylidene)]diphenolato}tricopper(II) bromide dimethylformamide disolvate","Acta Crystallographica Section E","2011","67","9","m1197","m1198","10.1107/S160053681103090X","","","0.71073","MoKα","","0.0477","0.0302","","","0.0594","0.0619","","","","","","0.909","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233368","11.924","0.0017","11.924","0.0017","20.111","0.004","90","","90","","120","","2476.3","0.7","293","2","293","2","","","","","","","","5","P 61","P 61","169","","5-Methoxy-1,3,4-thiadiazol-2(3<i>H</i>)-one","","- C3 H4 N2 O2 S -","- C3 H4 N2 O2 S -","- C54 H72 N36 O36 S18 -","18","3","BQ2331","Zhang, Wei-Yi; Liu, Jie; Liu, Yan-Ju","5-Methoxy-1,3,4-thiadiazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","2","o475","","10.1107/S160053681200178X","","","0.71073","MoKα","","0.0844","0.0555","","","0.1184","0.1331","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234816","16.9133","0.0006","16.9133","0.0006","8.4451","0.0004","90","","90","","120","","2092.15","0.14","185","2","185","2","","","","","","","","4","P 61","P 61","169","","<i>N</i>-(2,6-Diisopropylphenyl)formamide toluene 0.33-solvate","","- C15.33 H21.67 N O -","- C13 H19 N O -","- C78 H114 N6 O6 -","6","1","SU2409","Berger, Matthias; Bats, Jan W.; Auner, Norbert","<i>N</i>-(2,6-Diisopropylphenyl)formamide toluene 0.33-solvate","Acta Crystallographica Section E","2012","68","5","o1565","","10.1107/S1600536812017527","","","0.71073","MoKα","","0.075","0.0581","","","0.1191","0.1246","","","","","","1.075","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237708","17.075","0.003","17.075","0.003","9.4536","0.0013","90","","90","","120","","2387","0.7","293","2","293","2","","","","","","","","5","P 61","P 61","169","","2-(2-Chlorophenyl)-<i>N</i>-cyclohexyl-2-oxoacetamide","","- C14 H16 Cl N O2 -","- C14 H16 Cl N O2 -","- C84 H96 Cl6 N6 O12 -","6","1","SU2558","Jin, Xiu-Dan; Wu, Jin-Long","2-(2-Chlorophenyl)-<i>N</i>-cyclohexyl-2-oxoacetamide","Acta Crystallographica Section E","2013","69","4","o505","","10.1107/S1600536813005904","","","0.71073","MoKα","","0.0706","0.0512","","","0.1379","0.1494","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2238695","6.2076","0.0003","6.2076","0.0003","29.8731","0.0013","90","","90","","120","","996.92","0.08","100","","100","","","","","","","","","4","P 61","P 61","169","(<i>R</i>)-(-)-1-Azabicyclo[2.2.2]octan-3-ol","(<i>R</i>)-(-)-Quinuclidin-3-ol","","- C7 H13 N O -","- C7 H13 N O -","- C42 H78 N6 O6 -","6","1","BG2517","Rousselin, Yoann; Clavel, Alexandre; Bonnaventure, Isabelle","(<i>R</i>)-({-})-Quinuclidin-3-ol","Acta Crystallographica Section E","2013","69","11","o1672","","10.1107/S1600536813026998","","","1.54178","CuKα~1~","","0.0234","0.0234","","","0.0642","0.0642","","","","","","1.153","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2240190","10.8907","0.0003","10.8907","0.0003","21.4542","0.0007","90","","90","","120","","2203.71","0.11","293","2","293","2","","","","","","","","6","P 61","P 61","169","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-4-methylbenzenesulfonohydrazide","","- C14 H13 Cl N2 O2 S -","- C14 H13 Cl N2 O2 S -","- C84 H78 Cl6 N12 O12 S6 -","6","1","","Balaji, J.; John Francis Xavier, J.; Prabu, S.; Srinivasan, P.","Crystal structure of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)-4-methylbenzenesulfonohydrazide: a hexagonal polymorph","Acta Crystallographica Section E","2014","70","12","o1250","o1251","10.1107/S1600536814023721","","","0.71073","MoKα","","0.0352","0.0288","","","0.0672","0.0718","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"3000010","10.21145","0.00007","10.21145","0.00007","42.6958","0.0004","90","","90","","120","","3855.59","0.05","293","","293","","","","","","","","","3","P 61","P 61","169","tetrapotassium pyrophosphate","","","- K4 O7 P2 -","- K4 O7 P2 -","- K72 O126 P36 -","18","3","","Armel Le Bail; Thomas Hansen; Wilson A. Crichton","Tetrapotassium pyrophosphates gamma and delta-K4P2O7","Powder Diffraction","2013","28","","2","12","10.1017/S0885715612000954","powder diffraction","","0.3999","synchrotron","","","","","","","","","3.25","","","","","","","","has coordinates","176718","2020-10-21","18:00:00",""
"4000975","11.6147","0.0002","11.6147","0.0002","51.9135","0.0015","90","","90","","120","","6064.9","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C11 H44 In6 N11 Te9 -","- C10 H38 In6 N10 Te9 -","- C60 H228 In36 N60 Te54 -","6","1","","Zhang, Qichun; Chung, In; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","A Polar and Chiral Indium Telluride Featuring Supertetrahedral T2 Clusters and Nonlinear Optical Second Harmonic Generation","Chemistry of Materials","2009","21","1","12","","10.1021/cm8027516","","","0.71073","MoKα","","0.0864","0.0772","","","0.1645","0.1735","","","","","","1.169","","","","has coordinates","288253","2023-12-12","14:36:06",""
"4020882","16.367","0.002","16.367","0.002","23.64","0.003","90","","90","","120","","5483.9","1.1","143","1","143","2","","","","","","","","3","P 61","P 61","169","","","","- C42 H42 O9 -","- C42 H42 O9 -","- C252 H252 O54 -","6","1","","Michael S. Leonard; Patrick J. Carroll; Madeleine M. Joullié","Synthesis of a Pondaplin Dimer and Trimer. Aromatic Interactions in Novel Macrocycles","Journal of Organic Chemistry","2004","69","","2526","2531","10.1021/jo0356006","","","","","","","0.0514","","","0.1352","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021070","11.4413","0.0005","11.4413","0.0005","50.149","0.005","90","","90","","120","","5685.2","0.6","163","2","163","2","","","","","","","","7","P 61","P 61","169","","","","- C44 H34 Co F6 N O3 Pd -","- C44 H34 Co F6 N O3 Pd -","- C264 H204 Co6 F36 N6 O18 Pd6 -","6","1","","Stefan F. Kirsch; Larry E. Overman; Mary P. Watson","Monomeric Cobalt Oxazoline Palladacycles (COP). Useful Catalysts for Catalytic Asymmetric Rearrangement of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2004","69","","8101","8104","10.1021/jo0487092","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021497","12.447","0.006","12.447","0.006","49.29","0.05","90","","90","","120","","6613","8","193","2","193","2","","","","","","","synthesis","4","P 61","P 61","169","(1S,2R,3R,6S,9R)-3-Chloro-2,5,5,9-tetramethylbicyclo[4.4.0]decan-1-ol","(1S,2R,3R,6S,9R)-3-Chloro-2,5,5,9-tetramethylbicyclo[4.4.0]decan-1-ol","","- C14 H25 Cl O -","- C14 H25 Cl O -","- C252 H450 Cl18 O18 -","18","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.1037","0.0514","","","0.0903","0.1017","","","","","","0.914","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4023244","8.9977","0.0004","8.9977","0.0004","40.312","0.002","90","","90","","120","","2826.4","0.2","150","2","150","2","","","","","","","","3","P 61","P 61","169","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C138 H132 N24 -","6","1","","Clare E. Jamookeeah; Christopher D. Beadle; Richard F. W. Jackson; Joseph P. A. Harrity","Investigation of a Flexible Enantiospecific Approach to Aziridines","Journal of Organic Chemistry","2008","73","","1128","1130","10.1021/jo7023637","","","0.71073","MoKα","","0.0497","0.0443","","","0.1171","0.1203","","","","","","1.132","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4027637","26.146","0.002","26.146","0.002","9.7191","0.0008","90","","90","","120","","5754","0.8","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 61","P 61","169","","","","- C40 H42 Br N O7 Si -","- C40 H42 Br N O7 Si -","- C240 H252 Br6 N6 O42 Si6 -","6","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1643","0.1036","","","0.2734","0.2959","","","","","","1.086","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4030770","8.5221","0.0006","8.5221","0.0006","57.101","0.008","90","","90","","120","","3591.4","0.6","150","2","150","2","","","","","","","","5","P 61","P 61","169","","","","- C27 H22 Br N O6 -","- C27 H22 Br N O6 -","- C162 H132 Br6 N6 O36 -","6","1","","Peris, Gorka; Vedejs, Edwin","Enantiocontrolled synthesis of a tetracyclic aminal corresponding to the core subunit of diazonamide a.","The Journal of organic chemistry","2015","80","6","3050","3057","10.1021/jo502939a","","","0.71073","MoKα","","0.046","0.0345","","","0.072","0.0757","","","","","","1.049","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030984","15.74885","0.00018","15.74885","0.00018","11.05787","0.00017","90","","90","","120","","2375.2","0.05","120","0.1","120","0.1","","","","","","","","5","P 61","P 61","169","","","","- C14 H17 F3 N2 O2 -","- C14 H17 F3 N2 O2 -","- C84 H102 F18 N12 O12 -","6","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0816","0.0756","","","0.221","0.2306","","","","","","1.09","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4033666","23.9466","0.0008","23.9466","0.0008","6.5821","0.0004","90","","90","","120","","3268.8","0.3","173","2","173","2","","","","","","","","3","P 61","P 61","169","","","","- C25.75 H30 O -","- C24 H26 O -","- C144 H156 O6 -","6","1","","Nielsen, Christian D.-T.; White, Andrew J. P.; Sale, David; Burés, Jordi; Spivey, Alan Christopher","Hydroarylation of alkenes by protonation/Friedel-Crafts trapping - HFIP-mediated access to per-aryl quaternary stereocentres.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02393","","","1.54184","CuKα","","0.1363","0.0867","","","0.2306","0.3024","","","","","","0.966","","","","has coordinates,has disorder","220609","2020-10-21","18:00:00",""
"4034074","10.6027","0.0002","10.6027","0.0002","26.41","0.0005","90","","90","","120","","2571.18","0.08","298","2","298","2","","","","","","","","4","P 61","P 61","169","","N-(1-(tert-Butylcarbamoyl)cyclohexyl)picolinamide","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C102 H150 N18 O12 -","6","1","","Alemán-Ponce de León, Diego; Sánchez-Chávez, Anahí C; Polindara-García, Luis A","Pd-Mediated γ-C(sp<sup>3</sup>)-H Bond Activation in Ammonia-Ugi 4-CR Adducts by Using Picolinamide as Directing Group.","The Journal of organic chemistry","2019","84","20","12809","12834","10.1021/acs.joc.9b01436","","","1.54178","CuKα","","0.0479","0.0453","","","0.1075","0.1107","","","","","","1.125","","","","has coordinates","222634","2020-10-21","18:00:00",""
"4034621","12.8491","0.0003","12.8491","0.0003","22.5713","0.0005","90","","90","","120","","3227.25","0.13","253","0.1","253","0.1","","","","","","","","7","P 61","P 61","169","","","","- C19 H23 Cl N O4 P S -","- C19 H23 Cl N O4 P S -","- C114 H138 Cl6 N6 O24 P6 S6 -","6","1","","Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S.","Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides.","The Journal of organic chemistry","2019","84","11","7291","7302","10.1021/acs.joc.9b00945","","x-ray","1.54178","CuKα","","0.0313","0.0306","","","0.0832","0.0842","","","","","","1.062","","","","has coordinates","223099","2020-10-21","18:00:00",""
"4036295","12.5299","0.0008","12.5299","0.0008","53.989","0.004","90","","90","","120","","7340.6","0.9","100","2","100","2","","","","","","","","7","P 61","P 61","169","","","","- C22 H29 Cl2 F N2 O3 S -","- C22 H29 Cl2 F N2 O3 S -","- C264 H348 Cl24 F12 N24 O36 S12 -","12","2","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0607","0.0572","","","0.1443","0.1467","","","","","","1.05","","","","has coordinates,has disorder","234520","2020-10-21","18:00:00",""
"4036783","10.0635","0.0006","10.0635","","45.865","0.003","90","","90","","120","","4022.6","0.4","150","","150","","","","","","","","synthesis as described","5","P 61","P 61","169","","","","- C18 H42 N4 O5 Si2 -","- C18 H42 N4 O5 Si2 -","- C108 H252 N24 O30 Si12 -","6","1","","Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François","Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes.","The Journal of organic chemistry","2016","81","11","4633","4644","10.1021/acs.joc.6b00505","","x-ray","0.71073","MoKα","","0.1087","0.0962","","","0.2371","0.2429","","","","","","1.124","","","","has coordinates,has disorder","235223","2020-10-21","18:00:00",""
"4037416","28.49","0.005","28.49","0.005","5.767","0.005","90","0.005","90","0.005","120","0.005","4054","4","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C156 H168 N24 O36 -","6","1","","Pušavec Kirar, Eva; Grošelj, Uroš; Golobič, Amalija; Požgan, Franc; Pusch, Stefan; Weber, Carina; Andernach, Lars; Štefane, Bogdan; Opatz, Till; Svete, Jurij","Absolute Configuration Determination of 2,3-Dihydro-1H,5H-pyrazolo[1,2-a]pyrazoles Using Chiroptical Methods at Different Wavelengths.","The Journal of organic chemistry","2016","81","23","11802","11812","10.1021/acs.joc.6b02270","","","0.71073","","","0.1622","0.1082","","","0.2051","0.2566","","","","","","1.256","","","","has coordinates","236110","2020-10-21","18:00:00",""
"4038484","8.6843","0.0006","8.6843","0.0006","32.226","0.003","90","","90","","120","","2104.8","0.3","200","2","199.99","","","","","","","","","3","P 61","P 61","169","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C102 H108 O18 -","6","1","","Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili","Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00146","","","0.71073","MoKα","","0.0764","0.0507","","","0.0984","0.1073","","","","","","1.087","","","","has coordinates","253109","2020-10-21","18:00:00",""
"4062390","8.436","0.002","8.436","0.002","65.573","0.015","90","","90","","120","","4041","2","213","2","213","2","","","","","","","","4","P 61","P 61","169","","","","- C28 H42 N4 Ti -","- C28 H42 N4 Ti -","- C168 H252 N24 Ti6 -","6","1","","Carpentier, Jean-François; Martin, Alfredo; Swenson, Dale C.; Jordan, Richard F.","Synthesis, Stereochemistry, and Reactivity of Group 4 Metal Complexes That Contain a Chiral Tetradentate Diamine-Diamide Ligand","Organometallics","2003","22","24","4999","5010","10.1021/om0340443","","","","","","","","","","","","","","","","","","","","","has coordinates","192144","2020-10-21","18:00:00",""
"4067311","13.5487","0.0004","13.5487","0.0004","27.8944","0.001","90","","90","","120","","4434.5","0.2","133","2","133","2","","","","","","","","7","P 61","P 61","169","","","","- C29 H31 B F4 N4 O2 Pd2 -","- C29 H31 B F4 N4 O2 Pd2 -","- C174 H186 B6 F24 N24 O12 Pd12 -","6","1","","Ficks, Arne; Sibbald, Connor; John, Michael; Dechert, Sebastian; Meyer, Franc","Dinuclear Allylpalladium Complexes ofC2-Symmetric Pyrazolate-Bridged Bis(oxazoline) Ligands (pyrbox's): Structures, Dynamic Behavior, and Application in Asymmetric Allylic Alkylation","Organometallics","2010","29","5","1117","","10.1021/om900835f","","","0.71073","MoKα","","0.0566","0.0547","","","0.1244","0.1256","","","","","","1.065","","","","has coordinates,has disorder","178564","2020-10-21","18:00:00",""
"4073408","12.7763","0.0006","12.7763","0.0006","32.1519","0.0019","90","","90","","120","","4545.1","0.4","100","2","100","2","","","","","","","","4","P 61","P 61","169","UCI-KAM-1","","","- C32 H40 Se2 U -","- C32 H40 Se2 U -","- C192 H240 Se12 U6 -","6","1","","Evans, William J.; Miller, Kevin A.; Kozimor, Stosh A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Actinide Hydride Complexes as Multielectron Reductants: Analogous Reduction Chemistry from [(C5Me5)2UH]2, [(C5Me5)2UH2]2, and [(C5Me5)2ThH2]2","Organometallics","2007","26","14","3568","","10.1021/om7003139","","","0.71073","MoKα","","0.028","0.0267","","","0.0464","0.0467","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4078158","22.584","0.002","22.584","0.002","10.3184","0.0011","90","","90","","120","","4557.7","0.7","150","2","150","2","","","","","","","","5","P 61","P 61","169","6satMe2MesIrCODCl","","","- C32 H44 Cl Ir N2 -","- C32 H44 Cl Ir N2 -","- C192 H264 Cl6 Ir6 N12 -","6","1","","Blake, Garrett A.; Moerdyk, Jonathan P.; Bielawski, Christopher W.","Tuning the Electronic Properties of Carbenes: A Systematic Comparison of Neighboring Amino versus Amido Groups","Organometallics","2012","31","8","3373","","10.1021/om3001586","","","0.71075","MoKα","","0.02","0.0185","","","0.0521","0.0536","","","","","","1.006","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4078931","13.4616","0.0002","13.4616","0.0002","66.2129","0.0015","90","","90","","120","","10391.2","0.3","100","2","100","2","","","","","","","","7","P 61","P 61","169","","","","- C65 H88 F6 O7 P4 Pt S2 -","- C61 H78 F6 O6 P4 Pt S2 -","- C366 H468 F36 O36 P24 Pt6 S12 -","6","1","","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","","","1.54178","CuKα","","0.0411","0.0398","","","0.0983","0.099","","","","","","1.093","","","","has coordinates,has disorder","178678","2020-10-21","18:00:00",""
"4081509","9.142","0.0001","9.142","0.0001","40.0765","0.0005","90","","90","","120","","2900.7","0.06","100","2","100","2","","","","","","","","6","P 61","P 61","169","","","","- C24 H23 Fe N O S -","- C24 H23 Fe N O S -","- C144 H138 Fe6 N6 O6 S6 -","6","1","","Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder","Stereoselective Ortho Borylation of Pyridylferrocenes","Organometallics","2013","32","20","5843","","10.1021/om400426g","","","1.54178","CuKα","","0.027","0.025","","","0.061","0.061","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081510","10.0515","0.0002","10.0515","0.0002","32.8264","0.0008","90","","90","","120","","2872.21","0.11","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C20 H25 Fe N Sn -","- C20 H25 Fe N Sn -","- C120 H150 Fe6 N6 Sn6 -","6","1","","Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder","Stereoselective Ortho Borylation of Pyridylferrocenes","Organometallics","2013","32","20","5843","","10.1021/om400426g","","","1.54178","CuKα","","0.028","0.027","","","0.065","0.065","","","","","","1.08","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4085128","9.7269","0.0005","9.7269","0.0005","43.282","0.002","90","","90","","120","","3546.4","0.3","133","2","133","2","","","","","","","","4","P 61","P 61","169","","","","- C26 H33 Bi N2 -","- C26 H33 Bi N2 -","- C156 H198 Bi6 N12 -","6","1","","Kindra, Douglas R.; Peterson, Jeffrey K.; Ziller, Joseph W.; Evans, William J.","Synthesis and Structure of Bis- and Tris-Benzyl Bismuth Complexes","Organometallics","2015","34","1","395","","10.1021/om5010786","","","0.71073","MoKα","","0.0197","0.0182","","","0.0361","0.0364","","","","","","1.106","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4100870","13.3588","0.0016","13.3588","0.0016","31.219","0.008","90","","90","","120","","4824.8","1.4","193","2","193","2","","","","","","","","4","P 61","P 61","169","","","","- C21 H28 N6 O9 -","- C21 H28 N6 O9 -","- C126 H168 N36 O54 -","6","1","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4101210","10.29","0.002","10.29","0.002","32.797","0.004","90","","90","","120","","3007.4","0.9","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C108 H198 N6 O24 -","6","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101257","14.573","0.002","14.573","0.002","10.354","0.001","90","","90","","120","","1904.3","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Val-Val","L-Valyl-L-Valine","","- C10 H20 N2 O3 -","- C10 H20 N2 O3 -","- C60 H120 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0329","0.0304","","","0.0774","0.0786","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101258","14.774","0.002","14.774","0.002","10.319","0.001","90","","90","","120","","1950.6","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Val-Ile","L-Valyl-L-Isoleucine","","- C11 H22 N2 O3 -","- C11 H22 N2 O3 -","- C66 H132 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.033","0.0313","","","0.0827","0.0842","","","","","","1.045","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101260","14.871","0.002","14.871","0.002","10.305","0.001","90","","90","","120","","1973.6","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","L-Ile-L-Val","L-Isoleucyl-L-Valine","","- C11 H22 N2 O3 -","- C11 H22 N2 O3 -","- C66 H132 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0322","0.0304","","","0.0785","0.0796","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101261","14.481","0.002","14.481","0.002","10.037","0.001","90","","90","","120","","1822.8","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Ile-Ala","L-Isoleucyl-L-Alanine","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C54 H108 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0414","0.0367","","","0.0925","0.095","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101262","14.261","0.002","14.261","0.002","10.221","0.001","90","","90","","120","","1800.2","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Ala-Ile","L-Alanyl-L-Isoleucine","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C54 H108 N12 O18 -","6","1","","Soldatov, Dmitriy V; Moudrakovski, Igor L; Grachev, Eugeny V; Ripmeester, John A","Micropores in crystalline dipeptides as seen from the crystal structure, He pycnometry, and 129Xe NMR spectroscopy.","Journal of the American Chemical Society","2006","128","20","6737","6744","10.1021/ja060474j","","","0.71073","MoKα","","0.0367","0.0343","","","0.0884","0.0898","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101813","24.4102","0.0008","24.4102","0.0008","10.6627","0.0007","90","","90","","120","","5502.3","0.4","293","2","293","2","","","","","","","","4","P 61","P 61","169","Boc-Pro-Aib-D-Leu-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-leucyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C30 H53 N5 O8 -","- C30 H53 N5 O8 -","- C180 H318 N30 O48 -","6","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0668","0.0543","","","0.1495","0.1605","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101814","24.3645","0.0014","24.3645","0.0014","10.4875","0.0014","90","","90","","120","","5391.6","0.8","293","2","293","2","","","","","","","","4","P 61","P 61","169","Boc-Pro-Aib-D-Val-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-valyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C29 H51 N5 O8.17 -","- C29 H51 N5 O8.17 -","- C174 H306 N30 O49.02 -","6","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.1936","0.0745","","","0.181","0.2426","","","","","","0.934","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4102810","10.7895","0.0005","10.7895","0.0005","72.85","0.007","90","","90","","120","","7344.5","0.9","173","2","173","2","","","","","","","","4","P 61","P 61","169","","","","- C52 H78 N8 O2 -","- C52 H78 N8 O2 -","- C312 H468 N48 O12 -","6","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2010","132","","10650","10651","10.1021/ja1046928","","","0.71073","MoKα","","0.0858","0.083","","","0.2018","0.2034","","","","","","1.236","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4103383","18.9952","0.0005","18.9952","0.0005","11.8778","0.0003","90","","90","","120","","3711.54","0.17","200","2","200","2","","","","","","","","6","P 61","P 61","169","","","","- C21 H29 B F4 N2 Pd -","- C21 H29 B F4 N2 Pd -","- C126 H174 B6 F24 N12 Pd6 -","6","1","","Alison N. Campbell; Paul B. White; Ilia A. Guzei; Shannon S. Stahl","Allylic C-H Acetoxylation with a 4,5-Diazafluorenone-Ligated Palladium Catalyst: A Ligand-Based Strategy To Achieve Aerobic Catalytic Turnover","Journal of the American Chemical Society","2010","132","","15116","15119","10.1021/ja105829t","","","0.71073","MoKα","","0.053","0.0511","","","0.1361","0.137","","","","","","0.973","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107065","17.691","0.002","17.691","0.002","10.5617","0.0012","90","","90","","120","","2862.7","0.6","195","2","195","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Cl N2 O4 Zn -","- C11 H15 Cl N2 O4 Zn -","- C66 H90 Cl6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.043","0.0384","","","0.1154","0.1203","","","","","","1.017","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107066","17.768","0.002","17.768","0.002","10.4796","0.0011","90","","90","","120","","2865.2","0.5","195","2","195","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Br N2 O4 Zn -","- C11 H15 Br N2 O4 Zn -","- C66 H90 Br6 N12 O24 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0803","0.0618","","","0.1928","0.2133","","","","","","1.017","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107069","17.7661","0.0015","17.7661","0.0015","10.5104","0.0016","90","","90","","120","","2873","0.6","353","2","353","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Cl N2 O2 Zn -","- C11 H15 Cl N2 O2 Zn -","- C66 H90 Cl6 N12 O12 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.0915","0.0642","","","0.147","0.1665","","","","","","1.005","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107070","17.859","0.001","17.859","0.001","10.5031","0.0012","90","","90","","120","","2901.1","0.4","313","2","313","2","","","","","","","synthesized","6","P 61","P 61","169","","","","- C11 H15 Br N2 O2 Zn -","- C11 H15 Br N2 O2 Zn -","- C66 H90 Br6 N12 O12 Zn6 -","6","1","","Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee","Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology","Journal of the American Chemical Society","2011","133","","17950","17958","10.1021/ja2078637","","","0.71073","MoKα","","0.06","0.0573","","","0.1512","0.1532","","","","","","1.071","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4109216","23.268","0.003","23.268","0.003","10.831","0.002","90","","90","","120","","5078.3","1.3","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C38 H31 N3 O4 Pd -","- C38 H31 N3 O4 Pd -","- C228 H186 N18 O24 Pd6 -","6","1","","Vadim A. Soloshonok; Hisanori Ueki; Jason L. Moore; Trevor K. Ellis","Design and Synthesis of Molecules with Switchable Chirality via Formation and Cleavage of Metal-Ligand Coordination Bonds","Journal of the American Chemical Society","2007","129","","3512","3513","10.1021/ja067995r","","","0.71073","MoKα","","0.0465","0.045","","","0.1294","0.1304","","","","","","1.092","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109569","20.7728","0.0008","20.7728","0.0008","18.1437","0.0016","90","","90","","120","","6780.3","0.7","108","2","108","2","","","","","","","","7","P 61","P 61","169","","","","- C41.33 H62.67 Cl3 N2 O0.33 P Ru -","- C40 H60 Cl3 N2 P Ru -","- C240 H360 Cl18 N12 P6 Ru6 -","6","1","","Marisa L. Macnaughtan; Marc J. A. Johnson; Jeff W. Kampf","Olefin Metathesis Reactions with Vinyl Halides: Formation, Observation, Interception, and Fate of the Ruthenium-Monohalomethylidene Moiety","Journal of the American Chemical Society","2007","129","","7708","7709","10.1021/ja0715952","","","0.71073","MoKα","","0.0587","0.044","","","0.0922","0.0968","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110475","22.4585","0.0004","22.4585","0.0004","8.8491","0.0003","90","","90","","120","","3865.37","0.16","193","2","193","2","","","","","","","","4","P 61","P 61","169","","","","- C23.83 H46 N2 Zr -","- C23.85 H46.04 N2 Zr -","- C143.1 H276.24 N12 Zr6 -","6","1","","Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita","Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers","Journal of the American Chemical Society","2006","128","","3420","3432","10.1021/ja057866v","","","0.71073","MoKα","","0.0441","0.0355","","","0.0939","0.1075","","","","","","1.168","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4111591","20.1923","0.0004","20.1923","0.0004","6.9288","0.0002","90","","90","","120","","2446.58","0.1","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C12 H26 O4 Si -","- C12 H26 O4 Si -","- C72 H156 O24 Si6 -","6","1","","Jason C. Valentine; Frank E. McDonald; Wade A. Neiwert; Kenneth I. Hardcastle","Biomimetic Synthesis of trans,syn,trans-Fused Polyoxepanes: Remarkable Substituent Effects on the endo-Regioselective Oxacyclization of Polyepoxides","Journal of the American Chemical Society","2005","127","","4586","4587","10.1021/ja050013i","","","1.54178","CuKα","","0.0747","0.0557","","","0.1387","0.1496","","","","","","1.015","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4115392","13.1301","0.0004","13.1301","0.0004","50.308","0.002","90","","90","","120","","7511.1","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C61 H50 Cl2 N2 O4 Ti -","- C60.96 H43.3 Cl1.303 N2 O4 Ti -","- C365.76 H259.8 Cl7.818 N12 O24 Ti6 -","6","1","","Yu Yuan; Xin Li; Jie Sun; Kuiling Ding","To Probe the Origin of Activation Effect of Carboxylic Acid and (+)-NLE in Tridentated Titanium Catalyst Systems","Journal of the American Chemical Society","2002","124","","14866","14867","10.1021/ja0286775","","","0.71073","MoKα","","0.1488","0.0687","","","0.1499","0.1804","","","","","","0.861","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115425","14.805","0.0006","14.805","0.0006","41.608","0.002","90","","90","","120","","7898.1","0.6","203","2","203","2","","","","","","","","7","P 61","P 61","169","","","","- C53 H50 Ag2 Cl2 N4 O11 Pt2 -","- C53 H50 Ag2 Cl2 N4 O11 Pt2 -","- C318 H300 Ag12 Cl12 N24 O66 Pt12 -","6","1","","Tadashi Yamaguchi; Fumie Yamazaki; Tasuku Ito","A Helical Metal-Metal Bonded Chain via the Pt\ρightarrowAg Dative Bond","Journal of the American Chemical Society","2001","123","","743","744","10.1021/ja002906a","","","0.71069","MoKα","","0.0579","0.0405","","","0.1035","0.1132","","","","","","0.748","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4116197","26.711","0.003","26.711","0.003","9.884","0.004","90","","90","","120","","6107","3","128.2","","128.2","","","","","","","","","4","P 61","P 61","169","","","","- C32 H57 N5 O9 -","- C34 H65 N6 O11.5 -","- C204 H390 N36 O69 -","6","1","","Hiroshi Kogen; Toshihiro Kiho; Mizuka Nakayama; Youji Furukawa; Takeshi Kinoshita; Masatoshi Inukai","Crystal Structure and Total Synthesis of Globomycin: Establishment of Relative and Absolute Configurations","Journal of the American Chemical Society","2000","122","","10214","10215","10.1021/ja002547j","","","1.5418","CuKα","","","0.0531","","","0.0703","","","","","1.158","1.158","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119822","22.604","0.003","22.604","0.003","17.635","0.003","90","","90","","120","","7803","2","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C51 H62 Br2 Cu N2 O2 -","- C51 H62 Br2 Cu N2 O2 -","- C306 H372 Br12 Cu6 N12 O12 -","6","1","","Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang","Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes","Journal of the American Chemical Society","2013","135","","7851","7854","10.1021/ja4042127","","","0.71073","MoKα","","0.13","0.0615","","","0.1414","0.1625","","","","","","0.88","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4120104","15.9288","0.0006","15.9288","0.0006","21.3663","0.0011","90","","90","","120","","4694.9","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H31 Co2 N3 O14 -","- C25 H31.014 Co2 N3 O14.007 -","- C150 H186.084 Co12 N18 O84.042 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.0512","0.0436","","","0.1091","0.1146","","","","","","1.057","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120105","15.8831","0.0004","15.8831","0.0004","21.3791","0.0009","90","","90","","120","","4670.8","0.3","323","","323","","","","","","","","","5","P 61","P 61","169","","","","- C25 H21 Co2 N3 O9 -","- C25 H21 Co2 N3 O9 -","- C150 H126 Co12 N18 O54 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.035","0.0307","","","0.068","0.0701","","","","","","1.085","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120106","15.6888","0.0007","15.6888","0.0007","21.7323","0.0017","90","","90","","120","","4632.5","0.5","400","","400","","","","","","","","","5","P 61","P 61","169","","","","- C25 H19 Co2 N3 O8 -","- C25 H19 Co2 N3 O8 -","- C150 H114 Co12 N18 O48 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.0498","0.0451","","","0.1241","0.13","","","","","","1.019","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120107","15.9363","0.0006","15.9363","0.0006","21.338","0.0009","90","","90","","120","","4693.1","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H31 Co2 N3 O14 -","- C25 H31.012 Co2 N3 O14.006 -","- C150 H186.072 Co12 N18 O84.036 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.0741","0.0602","","","0.1526","0.1673","","","","","","1.075","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4122021","21.7099","0.0011","21.7099","0.0011","5.3925","0.0003","90","","90","","120","","2201.1","0.2","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C16 H15 Cl F N O -","- C16 H15 Cl F N O -","- C96 H90 Cl6 F6 N6 O6 -","6","1","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.0591","0.0407","","","0.0932","0.0989","","","","","","1.037","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122515","10.9566","0.0002","10.9566","0.0002","21.2225","0.0005","90","","90","","120","","2206.37","0.08","173","2","173","2","","","","","","","","4","P 61","P 61","169","","","","- C12 H18 O7 Sm -","- C12 H18 O7 Sm -","- C72 H108 O42 Sm6 -","6","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0338","0.0287","","","0.0588","0.0603","","","","","","1.075","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4123347","19.3867","0.0007","19.3867","0.0007","20.8268","0.0015","90","","90","","120","","6778.9","0.6","100","2","100","","","","","","","","","6","P 61","P 61","169","","","","- C41.52 H38.08 Co2 N1.64 O12.35 S4 -","- C41.516 H38.077 Co2 N1.642 O12.348 S4 -","- C249.096 H228.462 Co12 N9.852 O74.088 S24 -","6","1","","Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea","Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks.","Journal of the American Chemical Society","2015","137","5","1774","1777","10.1021/ja512437u","","","0.71073","MoKα","","0.0416","0.0374","","","0.094","0.0973","","","","","","1.046","","","","has coordinates,has disorder","288193","2023-12-08","17:12:23",""
"4123645","25.5011","0.0004","25.5011","0.0004","11.0911","0.0002","90","","90","","120","","6246.3","0.18","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C38 H59 Br N4 O7 -","- C38 H59 Br N4 O7 -","- C228 H354 Br6 N24 O42 -","6","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","","1.54178","Cu-Kα","","0.0425","0.041","","","0.1074","0.1083","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4125976","16.659","","16.659","","32.217","","90","","90","","120","","7743.08","","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C39 H59 Mo N5 -","- C39 H59 Mo N5 -","- C234 H354 Mo6 N30 -","6","1","","Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.","Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.","Journal of the American Chemical Society","2017","139","17","6110","6113","10.1021/jacs.7b03070","","","0.71073","MoKα","","0.0748","0.0669","","","0.1679","0.1736","","","","","","1.155","","","","has coordinates","197406","2020-10-21","18:00:00",""
"4126014","20.4847","0.0008","20.4847","0.0008","6.8358","0.0003","90","","90","","120","","2484.16","0.18","100","2","100","2","","","","","","","","3","P 61","P 61","169","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C114 H144 O24 -","6","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0256","0.0254","","","0.0648","0.065","","","","","","1.087","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4128193","19.467","0.0003","19.467","0.0003","92.8172","0.0014","90","","90","","120","","30461.9","0.8","100","0.1","100","0.1","","","","","","","","6","P 61","P 61","169","","","","- C191 H132 Au10 F12 O6 P8 -","- C185 H132 Au10 F3 P8 -","- C1110 H792 Au60 F18 P48 -","6","1","","Wang, Jia-Qi; Guan, Zong-Jie; Liu, Wen-Di; Yang, Yang; Wang, Quan-Ming","Chiroptical Activity Enhancement via Structural Control: The Chiral Synthesis and Reversible Interconversion of Two Intrinsically Chiral Gold Nanoclusters.","Journal of the American Chemical Society","2019","141","6","2384","2390","10.1021/jacs.8b11096","","x-ray","1.54184","CuKα","","0.1204","0.112","","","0.2514","0.2564","","","","","","1.023","","","","has coordinates","221329","2020-10-21","18:00:00",""
"4128251","21.1703","0.0005","21.1703","0.0005","22.7806","0.0006","90","","90","","120","","8842","0.4","100","","100","","","","","","","","","6","P 61","P 61","169","","","","- C54 H58 F N O19 S -","- C54 H58 F N O19 S -","- C324 H348 F6 N6 O114 S6 -","6","1","","Lo, Hong-Jay; Krasnova, Larissa; Dey, Supriya; Cheng, Ting; Liu, Haitian; Tsai, Tsung-I; Wu, Kevin Binchia; Wu, Chung-Yi; Wong, Chi-Huey","Synthesis of Sialidase-Resistant Oligosaccharide and Antibody Glycoform Containing α2,6-Linked 3F<sup>ax</sup>-Neu5Ac.","Journal of the American Chemical Society","2019","141","16","6484","6488","10.1021/jacs.9b01991","","x-ray","1.54178","CuKα","","0.0386","0.0343","","","0.0933","0.097","","","","","","1.035","","","","has coordinates,has disorder","221376","2020-10-21","18:00:00",""
"4129092","13.6637","0.0002","13.6637","0.0002","22.893","0.0004","90","","90","","120","","3701.43","0.1","93","2","93","2","","","","","","","","6","P 61","P 61","169","","","","- C27 H25 Cl F3 N3 O3 -","- C27 H25 Cl F3 N3 O3 -","- C162 H150 Cl6 F18 N18 O18 -","6","1","","Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J.","Catalytic Enantioselective Pyridine N-Oxidation.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10414","","","1.54184","CuKα","","0.0494","0.0463","","","0.1143","0.1177","","","","","","1.056","","","","has coordinates,has disorder","227681","2020-10-21","18:00:00",""
"4130094","9.8252","0.0001","9.8252","0.0001","34.0247","0.0006","90","","90","","120","","2844.51","0.06","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H22 F5 N O3 -","- C18 H22 F5 N O3 -","- C108 H132 F30 N6 O18 -","6","1","","Mahender Reddy, Karla; Bhimireddy, Eswar; Thirupathi, Barla; Breitler, Simon; Yu, Shunming; Corey, E. J.","Cationic Chiral Fluorinated Oxazaborolidines. More Potent, Second-Generation Catalysts for Highly Enantioselective Cycloaddition Reactions.","Journal of the American Chemical Society","2016","138","7","2443","2453","10.1021/jacs.6b00100","","","1.54178","CuKα","","0.0248","0.0234","","","0.0561","0.0567","","","","","","1.079","","","","has coordinates","240669","2020-10-21","18:00:00",""
"4131241","12.46018","0.00013","12.46018","0.00013","19.9836","0.0003","90","","90","","120","","2686.91","0.06","180","2","180","2","","","","","","","","6","P 61","P 61","169","","","","- C3 H12 Cu3 I3 N6 S3 -","- C3 H12 Cu3 I3 N6 S3 -","- C18 H72 Cu18 I18 N36 S18 -","6","1","","Ye, Senyun; Rao, Haixia; Zhao, Ziran; Zhang, Linjuan; Bao, Hongliang; Sun, Weihai; Li, Yunlong; Gu, Feidan; Wang, Jianqiang; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","A Breakthrough Efficiency of 19.9% Obtained in Inverted Perovskite Solar Cells by Using an Efficient Trap State Passivator Cu(thiourea)I.","Journal of the American Chemical Society","2017","139","22","7504","7512","10.1021/jacs.7b01439","","","0.71073","MoKα","","0.0516","0.0506","","","0.1293","0.1298","","","","","","1.122","","","","has coordinates","241490","2020-10-21","18:00:00",""
"4132264","11.3308","0.0002","11.3308","0.0002","34.3551","0.0008","90","","90","","120","","3819.82","0.13","100","","100","","","","","","","","","3","P 61","P 61","169","","","","- C27 H40 O7 -","- C27 H40 O7 -","- C162 H240 O42 -","6","1","","Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","16","5365","5369","10.1021/jacs.8b02629","","x-ray","1.54178","CuKα","","0.0371","0.0353","","","0.0854","0.0867","","","","","","1.052","","","","has coordinates","242260","2020-10-21","18:00:00",""
"4135367","19.3198","0.0009","19.3198","0.0009","20.7955","0.0013","90","","90","","120","","6722.1","0.6","193","2","193","2","","","","","","","","6","P 61","P 61","169","","","","- C32 H22 Mn2 Ni O10 S4 -","- C32 H20 Mn2 Ni O10 S4 -","- C192 H120 Mn12 Ni6 O60 S24 -","6","1","","Zhou, Yan; Hu, Qin; Yu, Fei; Ran, Guang-Ying; Wang, Hai-Ying; Shepherd, Nicholas D.; D'Alessandro, Deanna M; Kurmoo, Mohamedally; Zuo, Jing-Lin","A Metal-Organic Framework Based on a Nickel Bis(dithiolene) Connector: Synthesis, Crystal Structure, and Application as an Electrochemical Glucose Sensor.","Journal of the American Chemical Society","2020","142","48","20313","20317","10.1021/jacs.0c09009","","","1.34139","GaKα","","0.098","0.0673","","","0.1688","0.1874","","","","","","1.018","","","","has coordinates","259522","2020-12-04","02:21:42",""
"4308780","13.164","0.003","13.164","0.003","36.305","0.011","90","","90","","120","","5448","2","293","2","273","2","","","","","","","see text","5","P 61","P 61","169","","","","- C28 H29 Fe2 N6 O13 -","- C28 H29 Fe2 N6 O13 -","- C168 H174 Fe12 N36 O78 -","6","1","","Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray","Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels","Inorganic Chemistry","2005","44","","1302","1308","10.1021/ic049145n","","","0.71073","MoKα","","0.0488","0.0387","","","0.0842","0.0879","","","","","","0.995","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308782","13.16","0.007","13.16","0.007","36.56","0.04","90","","90","","120","","5483","7","293","2","293","2","","","","","","","see text","5","P 61","P 61","169","","","","- C28 H32 Fe2 N6 O10 -","- C28 H32 Fe2 N6 O10 -","- C168 H192 Fe12 N36 O60 -","6","1","","Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray","Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels","Inorganic Chemistry","2005","44","","1302","1308","10.1021/ic049145n","","","0.71073","MoKa","","0.0748","0.0575","","","0.1426","0.1528","","","","","","1.136","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308783","13.2725","0.001","13.2725","0.001","36.032","0.006","90","","90","","120","","5497","1.1","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C28 H32 Fe2 I2 N6 O10 -","- C28 H29 Fe2 I2 N6 O10 -","- C168 H174 Fe12 I12 N36 O60 -","6","1","","Md. Akhtarul Alam; Munirathinum Nethaji; Manabendra Ray","Structural Characterization of an Enantiopure Hydroxo-Bridged Binuclear Iron(III) Complex with Empty One-Dimensional Helical Channels","Inorganic Chemistry","2005","44","","1302","1308","10.1021/ic049145n","","","0.71073","MoKα","","0.1431","0.1069","","","0.2854","0.3172","","","","","","1.188","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4309506","11.559","0.003","11.559","0.003","44.627","0.014","90","","90","","120","","5164","2","110","2","110","2","","","","","","","","6","P 61","P 61","169","1:1 trimeric perfluoro-o-phenylene mercury:NIT-Ph","","","- C31 H17 F12 Hg3 N2 O2 -","- C31 H17 F12 Hg3 N2 O2 -","- C186 H102 F72 Hg18 N12 O12 -","6","1","","Mason R. Haneline; François P. Gabbaï","Coordination of Nitroxide and Nitronyl-nitroxide Organic Radicals to Trimeric Perfluoro-o-phenylene Mercury","Inorganic Chemistry","2005","44","","6248","6255","10.1021/ic050528a","","","0.71073","MoKα","","0.0554","0.0478","","","0.1215","0.1389","","","","","","1.089","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4311309","21.0593","0.0016","21.0593","","7.5642","0.0006","90","","90","","120","","2905.2","0.3","136","2","136","2","","","","","","","","5","P 61","P 61","169","","","","- C19.33 H17.67 Cl1.67 Cu N3 -","- C19.3334 H17.6668 Cl1.6668 Cu N3 -","- C116 H106.001 Cl10.0008 Cu6 N18 -","6","1","","A. N. Vedernikov; M. Pink; K. G. Caulton","Influence of the [2.1.1]-(2,6)-Pyridinophane Macrocycle Ring Size Constraint on the Structure and Reactivity of Copper Complexes","Inorganic Chemistry","2004","43","","4300","4305","10.1021/ic049886o","","","0.71073","MoKα","","0.0469","0.035","","","0.0811","0.086","","","","","","1.073","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311521","13.1912","0.0003","13.1912","0.0003","32.5625","0.0013","90","","90","","120","","4907","0.3","100","2","100","2","","","","","","","","7","P 61","P 61","169","7.CH3CN(right_hand)","","","- C30 H23 Ag Au B2 F8 N10 -","- C30 H23 Ag Au B2 F8 N10 -","- C180 H138 Ag6 Au6 B12 F48 N60 -","6","1","","Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo","Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer","Inorganic Chemistry","2004","43","","5714","5724","10.1021/ic049604k","","","0.71073","MoKα","","0.0305","0.0272","","","0.0597","0.0606","","","","","","1.073","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4313418","11.4067","0.0005","11.4067","0.0005","70.659","0.005","90","","90","","120","","7961.9","0.7","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- H26 Mo7 N4 O43 U5 -","- Mo7 N4 O43 U5 -","- Mo42 N24 O258 U30 -","6","1","","Sergey V. Krivovichev; Christopher L. Cahill; Peter C. Burns","A Novel Open Framework Uranyl Molybdate: Synthesis and Structure of (NH4)4[(UO2)5(MoO4)7](H2O)5","Inorganic Chemistry","2003","42","","2459","2464","10.1021/ic020516e","","","0.71073","MoKα","","0.1002","0.0559","","","0.1238","0.1393","","","","","","0.927","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313557","9.526","0.001","9.526","0.001","19.043","0.002","90","","90","","120","","1496.5","0.3","100","","100","","","","","","","","local laboratory","6","P 61","P 61","169","","Cesium tetracyanonickelate(II) monohydrate","","- C4 H2 Cs2 N4 Ni O -","- C4 H2 Cs2 N4 Ni O -","- C24 H12 Cs12 N24 Ni6 O6 -","6","1","","Jeffrey B. Cornelius; Robert M. Trapp; Terry J. Delord; Frank R. Fronczek; Steven F. Watkins; Jill Jasin Orosz; Ronald L. Musselman","One-Dimensional Collective Electronic Effects in the Helically Stacked Cs2[Ni(CN)4].H2O and Cs2[Pt(CN)4].H2O: X-ray Structure, Polarized Specular Reflectance, and ZINDO Calculations","Inorganic Chemistry","2003","42","","3026","3035","10.1021/ic026101a","","","0.71073","MoKα","","0.017","0.016","","","0.034","0.034","","","","","","1.119","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4313839","9.557","0.0002","9.557","0.0002","29.691","0.0008","90","","90","","120","","2348.54","0.09","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C12 H30 N3 O P -","- C12 H30 N3 O P -","- C72 H180 N18 O6 P6 -","6","1","","Tristram Chivers; Mark Krahn; Gabriele Schatte; Masood Parvez","Lithiation of Tris(alkyl- and arylamido)orthophosphates EP[N(H)R]3 (E = O, S, Se): Imido Substituent Effects and PE Bond Cleavage","Inorganic Chemistry","2003","42","","3994","4005","10.1021/ic034151p","","","0.71073","MoKα","","0.0674","0.0494","","","0.1055","0.1142","","","","","","1.029","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4315270","9.9402","0.0013","9.9402","0.0013","57.229","0.0015","90","","90","","120","","4897.1","0.9","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C21 H40 N10 Ni2 O16 -","- C21 H40 N10 Ni2 O16 -","- C126 H240 N60 Ni12 O96 -","6","1","","Tanmay Chattopadhyay; Madhuparna Mukherjee; Arindam Mondal; Pali Maiti; Arpita Banerjee; Kazi Sabnam Banu; Santanu Bhattacharya; Bappaditya Roy; D. J. Chattopadhyay; Tapan Kumar Mondal; Munirathinam Nethaji; Ennio Zangrando; Debasis Das","A Unique Nickel System having Versatile Catalytic Activity of Biological Significance","Inorganic Chemistry","2010","49","","3121","3129","10.1021/ic901546t","","","0.71073","MoKα","","0.099","0.0531","","","0.0737","0.0831","","","","","","0.885","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4319189","11.34","0.001","11.34","0.001","32.984","0.001","90","","90","","120","","3673.3","0.5","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C17 H33 N5 O8 Zn2 -","- C17 H27 N5 O8 Zn2 -","- C102 H162 N30 O48 Zn12 -","6","1","","Andrea Erxleben","Synthesis and Structure of a Helical Coordination Polymer: {[Zn2(bdaip)(μ-OH)(OH)]NO3.2H2O}∞(Hbdaip = 2,6-Bis{N-[2-(dimethylamino)ethyl]- iminomethyl}-4-methylphenol)","Inorganic Chemistry","2001","40","","412","414","10.1021/ic000929k","","","0.71069","MoKα","","0.0775","0.0539","","0.1625","0.1403","","","","1.035","1.117","1.117","","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4320038","8.569","0.003","8.569","0.003","45.78","0.02","90","","90","","120","","2911.2","1.9","153.2","","153.2","","","","","","","","","5","P 61","P 61","169","","","","- C19 H26 Cu N4 S2 -","- C19 H26 Cu N4 S2 -","- C114 H156 Cu6 N24 S12 -","6","1","","Young-Jin Kim; Su-Oak Kim; Young-Inn Kim; Sung-Nak Choi","A Mimic Molecule of Blue Copper Protein Active Site [(-)-Sparteine-N,N'](maleonitriledithiolato-S,S')copper(II)","Inorganic Chemistry","2001","40","","4481","4484","10.1021/ic001396i","","","0.7107","MoKα","","0.1374","0.069","","0.135","","0.127","","","1.454","","","1.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322110","32.12","0.006","32.12","0.006","14.46","0.003","90","","90","","120","","12920","4","293","2","293","2","","","","","","","","8","P 61","P 61","169","","cis-[{Cp(dppe)Fe-NC-}2Pt(bipy)](SbF6)2","","- C74 H66 F12 Fe2 N4 P4 Pt Sb2 -","- C74 H66 F12 Fe2 N4 P4 Pt Sb2 -","- C444 H396 F72 Fe12 N24 P24 Pt6 Sb12 -","6","1","","Guy N. Richardson; Udo Brand; Heinrich Vahrenkamp","Linear and Bent M(μ-CN)Pt(μ-CN)M Chains: Probes for Remote Metal-Metal Interactions","Inorganic Chemistry","1999","38","","3070","3079","10.1021/ic981384l","","","0.71073","MoKα","","0.0989","0.0635","","","0.1395","0.1575","","","","","","1.058","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322983","10.8826","0.0002","10.8826","0.0002","49.7421","0.0011","90","","90","","120","","5101.76","0.17","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C35 H45 O2 P Ti -","- C35 H45 O2 P Ti -","- C210 H270 O12 P6 Ti6 -","6","1","","Andrea V. Firth; Douglas W. Stephan","Cyclopentadienyl-Bis-Aryloxide Titanium Complexes","Inorganic Chemistry","1998","37","","4732","4734","10.1021/ic9800841","","","0.71073","MoKα","","0.1067","0.0925","","0.2411","0.2294","","","","1.545","1.601","1.601","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4323679","20.015","0.004","20.015","0.004","16.516","0.005","90","","90","","120","","5730","2","200","2","200","","","","","","","","","6","P 61","P 61","169","","compound 3","","- C41.8 H39 Cl2 Co O0.2 P3 -","- C41.8 H39 Cl2 Co O0.2 P3 -","- C250.8 H234 Cl12 Co6 O1.2 P18 -","6","1","","Katja Heinze; Gottfried Huttner; Laszlo Zsolnai; Peter Schober","Complexes of Cobalt(II) Chloride with the Tripodal Trisphosphane triphos: Solution Dynamics, Spin-Crossover, Reactivity, and Redox Activity","Inorganic Chemistry","1997","36","","5457","5469","10.1021/ic9705352","","","0.71073","MoKα","","0.1232","0.0763","","0.1893","0.163","","","","1.063","1.175","1.175","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325452","10.2396","0.0001","10.2396","0.0001","42.6378","0.0008","90","","90","","120","","3871.61","0.09","90","2","90","2","","","","","","","","6","P 61","P 61","169","","","","- C24 H32 Cl O4 Tc n4 -","- C24 H32 Cl N4 O4 Tc -","- C144 H192 Cl6 N24 O24 Tc6 -","6","1","","Sayandev Chatterjee; Andrew S. Del Negro; Zheming Wang; Matthew K. Edwards; Frances N. Skomurski; Sean E. Hightower; Jeanette A. Krause; Brendan Twamley; B. Patrick Sullivan; Christian Reber; William R. Heineman; Carl J. Seliskar; Samuel A. Bryan","Electronic and Molecular Structures of trans-Dioxotechnetium(V) Polypyridyl Complexes in the Solid State","Inorganic Chemistry","2011","50","","5815","5823","10.1021/ic200747v","","","1.54178","CuKα","","0.0261","0.0247","","","0.0595","0.0602","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327210","19.0192","0.0004","19.0192","0.0004","12.8131","0.0002","90","","90","","120","","4013.93","0.13","200","2","200","2","","","","","","","Chemical synthesis, S.C. Lee lab","5","P 61","P 61","169","Fe2(mu-NtBu)2Cl2(tBuNH2)2.(1/3)(C5H12)","","","- C17.67 H44 Cl2 Fe2 N4 -","- C16 H40 Cl2 Fe2 N4 -","- C96 H240 Cl12 Fe12 N24 -","6","1","","Jeremiah S. Duncan; Michael J. Zdilla; Sonny C. Lee","Synthesis and Elaboration of the Dinuclear Iron-Imide Cluster Core [Fe2(μ-NR)2]2+","Inorganic Chemistry","2007","46","","1071","1080","10.1021/ic061133+","","","0.71073","MoKα","","0.0546","0.0418","","0.076","0.0726","","","","1.03","1.073","1.073","","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4332282","10.1017","0.0005","10.1017","0.0005","42.334","0.004","90","","90","","120","","3741.2","0.4","120","2","120","2","","","","","","","","7","P 61","P 61","169","phosphonium triflate","hydroxydiphenyl[2-(phenylazo)phenyl]phosphonium triflate","","- C25 H20 F3 N2 O4 P S -","- C25 H20 F3 N2 O4 P S -","- C150 H120 F18 N12 O24 P6 S6 -","6","1","","Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki","Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group","Inorganic Chemistry","2006","45","16","6497","6507","10.1021/ic0601790","","","0.7107","MoKα","","0.04","0.0314","","","0.0492","0.0531","","","","","","0.894","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4345027","11.2324","0.0004","11.2324","0.0004","27.4564","0.0012","90","","90","","120","","3000","0.2","100","2","100","2","","","","","","","","6","P 61","P 61","169","","","","- C20 H20 Cl N2 O5 Re -","- C20 H20 Cl N2 O5 Re -","- C120 H120 Cl6 N12 O30 Re6 -","6","1","","Liu, Jinyong; Su, Xiaoge; Han, Mengwei; Wu, Dimao; Gray, Danielle L.; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Ligand Design for Isomer-Selective Oxorhenium(V) Complex Synthesis.","Inorganic chemistry","2017","56","3","1757","1769","10.1021/acs.inorgchem.6b03076","","","0.71073","MoKα","","0.0236","0.0214","","","0.047","0.0476","","","","","","1.209","","","","has coordinates,has disorder","193455","2020-10-21","18:00:00",""
"4346694","18.8953","0.0017","18.8953","0.0017","11.191","0.0011","90","","90","","120","","3460.2","0.6","100","2","100","2","","","","","","","","5","P 61","P 61","169","13242","","","- C21 H24 Co Cu N7 -","- C21 H24 Co Cu N7 -","- C126 H144 Co6 Cu6 N42 -","6","1","","Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C.","Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt-Copper Complexes.","Inorganic chemistry","2015","54","23","11330","11338","10.1021/acs.inorgchem.5b01950","","","0.41328","","","0.0931","0.0578","","","0.1134","0.1241","","","","","","0.946","","","","has coordinates","231927","2020-10-21","18:00:00",""
"4348366","9.616","0.003","9.616","0.003","23.734","0.006","90","","90","","120","","1900.6","1","110","2","110","2","","","","","","","","5","P 61","P 61","169","","","","- C4 H12 I3 N Pb -","- C4 H12 I3 N Pb -","- C24 H72 I18 N6 Pb6 -","6","1","","Liu, Guangfeng; Liu, Jie; Sun, Zhihua; Zhang, Zhenyi; Chang, Lei; Wang, Junling; Tao, Xutang; Zhang, Qichun","Thermally Induced Reversible Double Phase Transitions in an Organic-Inorganic Hybrid Iodoplumbate C4H12NPbI3 with Symmetry Breaking.","Inorganic chemistry","2016","55","16","8025","8030","10.1021/acs.inorgchem.6b01143","","","0.71073","MoKα","","0.0519","0.0509","","","0.1404","0.1442","","","","","","1.006","","","","has coordinates","232889","2020-10-21","18:00:00",""
"4500243","19.2199","0.0006","19.2199","0.0006","15.8463","0.0007","90","","90","","120","","5069.4","0.3","153","2","153","2","","","","","","","","6","P 61","P 61","169","","","","- C21 H40 Fe N10 Ni O3 -","- C21 H36 Fe N10 Ni O3 -","- C126 H216 Fe6 N60 Ni6 O18 -","6","1","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0795","0.0461","","","0.0997","0.1286","","","","","","1.084","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4505782","9.3817","0.0002","9.3817","0.0002","33.7473","0.0004","90","","90","","120","","2572.37","0.08","120","2","120","2","","","","","","","synthesis as described","6","P 61","P 61","169","","","","- C8 H22 Co F6 N10 P -","- C8 H22 Co F6 N10 P -","- C48 H132 Co6 F36 N60 P6 -","6","1","","Saha, Manas K.; Ramanujam, Rathnakumar; Bernal, Ivan; Fronczek, Frank R.","The Phenomenon of Conglomerate Crystallization. Part 57. Control of the Crystallization Behavior by the Choice of the Counter Ion. Part 9. The Stereochemistry and Crystallization Architecture of [(3,2,3-tet)Co(N3)2]X (X = Cl(I), Br(II), I(III), NO3(IV), and PF6(V))","Crystal Growth & Design","2002","2","3","205","","10.1021/cg020003i","","x-ray","0.71073","MoKα","","0.0773","0.0669","","","0.1565","0.1646","","","","","","1.034","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4508194","27.931","0.001","27.931","0.001","22.523","0.002","90","","90","","120","","15217","1.6","100","2","100","2","","","","","","","synthesis as described","5","P 61","P 61","169","JMO-04","","","- C74 H106 F3 N12 O32 -","- C74 H106 F3 N12 O32 -","- C444 H636 F18 N72 O192 -","6","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","1.54178","CuKα","","0.1351","0.1302","","","0.3355","0.3451","","","","","","1.822","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508196","48.481","0.015","48.481","0.015","10.298","0.002","90","","90","","120","","20962","10","100","2","100","2","","","","","","","synthesis as described","5","P 61","P 61","169","JMO-17","","","- C72 H101 F5 N12 O17 -","- C72 H101 F5 N12 O17 -","- C432 H606 F30 N72 O102 -","6","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","1.00614","synchrotron","","0.1417","0.1357","","","0.31","0.3179","","","","","","1.606","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4509734","11.6597","0.0009","11.6597","0.0009","20.813","0.002","90","","90","","120","","2450.4","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","catena[(cadmium sulfate 4,4'-bipyridine)hydrate]","catena[(cadmium sulfate 4,4'-bipyridine)hydrate]","","- C10 H18 Cd N2 O9 S -","- C10 H8 Cd N2 O9 S -","- C60 H48 Cd6 N12 O54 S6 -","6","1","","Croitor, Lilia; Coropceanu, Eduard B.; Jeanneau, Erwann; Dementiev, Igor V.; Goglidze, Tatiana I.; Chumakov, Yurii M.; Fonari, Marina S.","Anion-Induced Generation of Binuclear and Polymeric Cd(II) and Zn(II) Coordination Compounds with 4,4'-Bipyridine and Dioxime Ligands","Crystal Growth & Design","2009","9","12","5233","","10.1021/cg900746w","","","0.71073","MoKα","","0.0685","0.0665","","","0.184","0.1852","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4511749","11.1905","0.0003","11.1905","0.0003","26.6938","0.0015","90","","90","","120","","2894.9","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 Gd N4 O9 -","- C18 H13 Gd N4 O9 -","- C108 H78 Gd6 N24 O54 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0166","0.0166","","","0.0393","0.0393","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511751","11.1793","0.0003","11.1793","0.0003","26.6236","0.0015","90","","90","","120","","2881.6","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 N4 O9 Tb -","- C18 H13 N4 O9 Tb -","- C108 H78 N24 O54 Tb6 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0187","0.0186","","","0.0448","0.0449","","","","","","1.018","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4512582","49.7851","0.0012","49.7851","0.0012","6.7498","0.0002","90","","90","","120","","14488.4","0.7","100","2","100","2","","","","","","","","3","P 61","P 61","169","","","","- C98.91 H133.82 O24.1 -","- C98.912 H133.824 O24.098 -","- C593.472 H802.944 O144.588 -","6","1","","Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.","Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.","ACS chemical biology","2015","10","4","1099","1109","10.1021/cb501013w","","","1.54178","CuKα","","0.1303","0.0862","","","0.2079","0.2372","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4513430","14.714","0.002","14.714","0.002","9.165","0.002","90","","90","","120","","1718.4","0.5","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C7 H3 N O8 U -","- C7 H3 N O7.9999 U -","- C42 H18 N6 O47.9994 U6 -","6","1","","Jayasinghe, Ashini S.; Unruh, Daniel K.; Kral, Andrew; Libo, Anna; Forbes, Tori Z.","Structural Features in Metal‒Organic Nanotube Crystals That Influence Stability and Solvent Uptake","Crystal Growth & Design","2015","15","8","4062","","10.1021/acs.cgd.5b00653","","","0.71073","MoKα","","0.0428","0.0307","","","0.0696","0.0748","","","","","","1.085","","","","has coordinates","154569","2020-10-21","18:00:00",""
"4515742","18.4094","0.0018","18.4094","0.0018","11.3169","0.0007","90","","90","","120","","3321.5","0.5","150","2","150","","","","","","","","","6","P 61","P 61","169","","","","- C21 H25 Cl Ir N O3 -","- C21 H25 Cl Ir N O3 -","- C126 H150 Cl6 Ir6 N6 O18 -","6","1","","Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang","N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2018","8","9","8020","","10.1021/acscatal.8b02068","","","0.71073","MoKα","","0.0342","0.0289","","","0.067","0.0686","","","","","","1.051","","","","has coordinates","225867","2020-10-21","18:00:00",""
"4516170","11.977","0.0015","11.977","0.0015","47.127","0.012","90","","90","","120","","5854.6","1.8","296.15","","296.15","","","","","","","","","5","P 61","P 61","169","","","","- C48 H38 N2 O6 S2 -","- C48 H38 N2 O6 S2 -","- C288 H228 N12 O36 S12 -","6","1","","Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai","Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions.","ACS omega","2018","3","12","16615","16625","10.1021/acsomega.8b02891","","","0.71073","MoKα","","0.0731","0.0459","","","0.0835","0.0915","","","","","","1.024","","","","has coordinates","226161","2020-10-21","18:00:00",""
"4516767","17.5978","0.0005","17.5978","0.0005","10.1363","0.0004","90","","90","","120","","2718.48","0.15","100","2","100","2","","","","","","","","5","P 61","P 61","169","azide_6b","azide_6b","","- C16 H16 F3 N3 O6 -","- C16 H16 F3 N3 O6 -","- C96 H96 F18 N18 O36 -","6","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0467","0.0453","","","0.1389","0.1404","","","","","","1.17","","","","has coordinates","239523","2020-10-21","18:00:00",""
"4518104","13.8479","0.0006","13.8479","0.0006","22.9802","0.001","90","","90","","120","","3816.4","0.3","112.1","0.4","112.1","0.4","","","","","","","","4","P 61","P 61","169","","","","- C25 H33 N3 O5 -","- C25 H33 N3 O5 -","- C150 H198 N18 O30 -","6","1","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.1417","0.1121","","","0.2865","0.3197","","","","","","1.128","","","","has coordinates","258703","2020-11-04","01:18:01",""
"4518278","16.8594","0.0011","16.8594","0.0011","8.3896","0.0007","90","","90","","120","","2065.2","0.3","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C13 H19 N O -","- C13 H19 N O -","- C78 H114 N6 O6 -","6","1","","Leong, Bi-Xiang; Teo, Yeow-Chuan; Condamines, Cloé; Yang, Ming-Chung; Su, Ming-Der; So, Cheuk-Wai","A NHC-Silyliumylidene Cation for Catalytic N-Formylation of Amines Using Carbon Dioxide","ACS Catalysis","2020","","","14824","14833","10.1021/acscatal.0c03795","","","0.71073","MoKα","","0.114","0.0605","","","0.1324","0.1591","","","","","","1.022","","","","has coordinates","259491","2020-12-03","22:26:19",""
"4518618","26.4101","0.0005","26.4101","0.0005","10.6187","0.0002","90","","90","","120","","6414.2","0.2","120","1","120","1","","","","","","","","6","P 61","P 61","169","","","","- C40 H58 Cl2 Fe N4 O -","- C40 H58 Cl2 Fe N4 O -","- C240 H348 Cl12 Fe6 N24 O6 -","6","1","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","1.54184","CuKα","K-L~2,3~","0.1329","0.0575","","","0.1202","0.1487","","","","","","0.984","","","","has coordinates","264482","2021-04-23","21:28:07",""
"4519231","21.1226","0.0002","21.1226","0.0002","10.9251","0.0001","90","","90","","120","","4221.34","0.07","100","0.1","100","0.1","","","","","","","","3","P 61","P 61","169","","","","- C35 H28 O -","- C35 H28 O -","- C210 H168 O6 -","6","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.074","0.0745","","","","","","1.07","","","","has coordinates","271727","2022-01-03","20:53:14",""
"7003479","11.2217","0.0007","11.2217","0.0007","25.029","0.0016","90","","90","","120","","2729.6","0.3","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H14 N2 Ni O6 -","- C18 H14 N2 Ni O6 -","- C108 H84 N12 Ni6 O36 -","6","1","","Feller, Russell K.; Cheetham, Anthony K.","Polytypism, homochirality, interpenetration, and hydrogen-bonding in transition metal (Mn(ii), Ni(ii), Cu(ii), Zn(ii)) 5-hydroxyisophthalate coordination polymers containing 4,4′-bipyridyl","Dalton Transactions","2008","","15","2034","2042","10.1039/b716454h","","","0.71073","MoKα","","0.0608","0.0497","","","0.1137","0.1193","","","","","","1.055","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7004149","15.2662","0.0001","15.2662","0.0001","43.228","0.0004","90","","90","","120","","8724.84","0.11","150","1","150","1","","","","","","","","6","P 61","P 61","169","","","","- C36 H94 N12 Ni3 O23 P6 -","- C36 H78 N12 Ni3 O23 P6 -","- C216 H468 N72 Ni18 O138 P36 -","6","1","","Havlíčková, Jana; Medová, Hana; Vitha, Tomáš; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Coordination properties of cyclam (1,4,8,11-tetraazacyclotetradecane) endowed with two methylphosphonic acid pendant arms in the 1,4-positions","Dalton Transactions","2008","","39","5378","5386","10.1039/b803235a","","","0.71073","MoKα","","0.1076","0.0627","","","0.1369","0.1663","","","","","","1.052","","","","has coordinates,has disorder","179745","2020-10-21","18:00:00",""
"7004818","22.6827","0.0019","22.6827","0.0019","34.369","0.006","90","","90","","120","","15314","3","150","2","150","2","","","","","","","","5","P 61","P 61","169","","","","- C60 H78 Ag4 N28 O24 -","- C60 H22 Ag4 N24 O12 -","- C360 H132 Ag24 N144 O72 -","6","1","","Iremonger, Simon S.; Southon, Peter D.; Kepert, Cameron J.","A nanoporous chiral metal‒organic framework material that exhibits reversible guest adsorption","Dalton Transactions","2008","","44","6103","6105","10.1039/B816359f","","x-ray","0.71073","MoKα","","0.1548","0.1339","","","0.3628","0.3922","","","","","","1.739","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7006509","28.49","0.03","28.49","0.03","10.21","0.01","90","","90","","120","","7177","13","300","2","300","2","","","","","","","","4","P 61","P 61","169","","","","- C47.5 H70.5 Er O6 -","- C47.5 H70.5 Er O6 -","- C285 H423 Er6 O36 -","6","1","","Deacon, Glen B.; Fallon, Gary D.; Forsyth, Craig M.; Harris, Stuart C.; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Manipulation of reaction pathways in redox transmetallation-ligand exchange syntheses of lanthanoid(II)/(III) aryloxide complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","6","802","812","10.1039/b511609k","","","0.71073","MoKα","","0.08","0.048","","0.052","","0.041","","","1.076","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007222","13.5252","0.0003","13.5252","0.0003","53.537","0.002","90","","90","","120","","8481.5","0.4","120","2","120","2","","","","","","","","6","P 61","P 61","169","","","","- C54 H88 La N3 P2 Si2 -","- C54 H88 La N3 P2 Si2 -","- C324 H528 La6 N18 P12 Si12 -","6","1","","Izod, Keith; Liddle, Stephen T.; Clegg, William; Harrington, Ross W.","Amino-functionalised diarylphosphide complexes of the alkali metals and lanthanum.","Dalton transactions (Cambridge, England : 2003)","2006","","28","3431","3437","10.1039/B601938B","","","0.6894","synchrotron","","0.0583","0.0558","","","0.1131","0.1139","","","","","","1.209","","","","has coordinates,has disorder","179776","2020-10-21","18:00:00",""
"7009048","8.263","0.001","8.263","0.001","38.991","0.006","90","","90","","120","","2305.5","0.5","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C12 H19 N5 Sn -","- C12 H19 N5 Sn -","- C72 H114 N30 Sn6 -","6","1","","Bhandari, Sonali; Frost, Christopher G.; Hague, Catherine E.; Mahon, Mary F.; Molloy, Kieran C.","Synthesis of functionalised (triorganostannyl)tetrazoles: supramolecular structures of n-[2-(triorganostannyl)tetrazol-5-yl]pyridine (n = 2, 3 or 4)†","Journal of the Chemical Society, Dalton Transactions","2000","","5","663","","10.1039/a908380d","","","0.7093","","","0.0284","0.0188","","0.0467","0.0426","","","","1.132","1.107","1.107","","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7021162","25.697","0.001","25.697","","12.2498","0.0005","90","","90","","120","","7005.3","0.4","173","2","173","2","","","","","","","","7","P 61","P 61","169","","","","- C45 H51 Cl N2 O2 P Rh -","- C45 H51 Cl N2 O2 P Rh -","- C270 H306 Cl6 N12 O12 P6 Rh6 -","6","1","","Keske, Eric C.; Zenkina, Olena V.; Asadi, Ali; Sun, Hongsui; Praetorius, Jeremy M.; Allen, Daryl P.; Covelli, Danielle; Patrick, Brian O.; Wang, Ruiyao; Kennepohl, Pierre; James, Brian R.; Crudden, Cathleen M.","Dioxygen adducts of rhodium N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7414","7423","10.1039/c3dt32264e","","","0.71073","MoKα","","0.0501","0.0379","","","0.0767","0.0808","","","","","","1.013","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7031851","16.173","0.005","16.173","0.005","54.305","0.005","90","0.005","90","0.005","120","0.005","12301","6","110","2","110","2","","","","","","","","6","P 61","P 61","169","","","","- C58 H111 Co3 Dy3 N7 O31 -","- C57.99 H111 Co3 Dy3 N7 O31 -","- C347.94 H666 Co18 Dy18 N42 O186 -","6","1","","Sheikh, Javeed Ahmad; Goswami, Soumyabrata; Konar, Sanjit","Modulating the magnetic properties by structural modification in a family of Co-Ln (Ln = Gd, Dy) molecular aggregates.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14577","14585","10.1039/c4dt01791a","","","0.71073","MoKα","","0.057","0.0522","","","0.1044","0.106","","","","","","1.064","","","","has coordinates","180024","2020-10-21","18:00:00",""
"7034088","11.2159","0.0008","11.2159","0.0008","26.5973","0.0018","90","","90","","120","","2897.6","0.4","128","2","128","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 Dy N4 O9 -","- C18 H13 Dy N4 O9 -","- C108 H78 Dy6 N24 O54 -","6","1","","Liu, Shuang; Li, Lei-Lei; Li, Han; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Slow magnetic relaxation in a lanthanide helix chain compound [Dy(HNA)(NA)2(NO3)]n (HNA = nicotinic acid).","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6169","6174","10.1039/c5dt00205b","","","0.71073","MoKα","","0.0365","0.0338","","","0.074","0.077","","","","","","1.041","","","","has coordinates","180046","2020-10-21","18:00:00",""
"7034282","10.781","0.0015","10.781","0.0015","59.78","0.012","90","","90","","120","","6017.3","1.7","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C46 H38 N6 Ni S2 -","- C46 H38 N6 Ni S2 -","- C276 H228 N36 Ni6 S12 -","6","1","","Wicht, Merrill M.; Báthori, Nikoletta B; Nassimbeni, Luigi R.","Isoquinoline-based Werner clathrates with xylene isomers: aromatic interactions vs. molecular flexibility.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6863","6870","10.1039/c5dt00084j","","","0.71073","MoKα","","0.085","0.0692","","","0.1963","0.2143","","","","","","1.018","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7038728","11.823","0.002","11.823","0.002","41.384","0.008","90","","90","","120","","5009.8","1.5","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C36 H28 Cd2 N6 O8 -","- C36 H28 Cd2 N6 O8 -","- C216 H168 Cd12 N36 O48 -","6","1","","Qu, Xiang-Long; Gui, Di; Zheng, Xiao-Li; Li, Rui; Han, Hong-Liang; Li, Xia; Li, Pei-Zhou","A Cd(ii)-based metal-organic framework as a luminance sensor to nitrobenzene and Tb(iii) ion.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6983","6989","10.1039/c6dt00162a","","","0.71073","MoKα","","0.057","0.0386","","","0.0531","0.0578","","","","","","0.984","","","","has coordinates,has disorder","182718","2020-10-21","18:00:00",""
"7039999","35.0294","0.0011","35.0294","0.0011","13.0675","0.0004","90","","90","","120","","13886.4","0.7","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C21 H42 B10 Cl2 Ir N2 -","- C18 H35 B10 Cl2 Ir N2 -","- C324 H630 B180 Cl36 Ir18 N36 -","18","3","","Holmes, Jordan; Pask, Christopher M.; Willans, Charlotte E.","Chelating N-heterocyclic carbene-carboranes offer flexible ligand coordination to Ir(III), Rh(III) and Ru(II): effect of ligand cyclometallation in catalytic transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15818","15827","10.1039/c6dt02079h","","x-ray","1.54184","CuKα","","0.0753","0.0666","","","0.1493","0.1544","","","","","","1.07","","","","has coordinates","188208","2020-10-21","18:00:00",""
"7040559","20.1846","0.0004","20.1846","0.0004","20.1893","0.0006","90","","90","","120","","7123.5","0.3","298","2","298","2","","","","","","","","6","P 61","P 61","169","","","","- C37 H43 Cl Mn3 N9 O17 -","- C37 H43 Cl Mn3 N9 O17 -","- C222 H258 Cl6 Mn18 N54 O102 -","6","1","","Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei","Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15634","15643","10.1039/c6dt03207a","","","0.71073","MoKα","","0.0785","0.051","","","0.1159","0.1306","","","","","","1.011","","","","has coordinates","188134","2020-10-21","18:00:00",""
"7040575","10.9508","0.0005","10.9508","0.0005","76.094","0.003","90","","90","","120","","7902.6","0.6","123","","123","","","","","","","","Fabian Brunner","7","P 61","P 61","169","","","","- C63 H52 Cu F6 N2 O P3 -","- C63 H52 Cu F6 N2 O P3 -","- C378 H312 Cu6 F36 N12 O6 P18 -","6","1","","Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E.","Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15180","15192","10.1039/c6dt02665f","","","1.54178","CuKα","","0.033","0.0311","","0.0679","0.0674","0.0679","","","","","","0.9999","","","","has coordinates","188123","2020-10-21","18:00:00",""
"7042274","11.3026","0.0009","11.3026","0.0009","26.661","0.005","90","","90","","120","","2949.6","0.6","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 N4 O9 Sm -","- C18 H13 N4 O9 Sm -","- C108 H78 N24 O54 Sm6 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.1007","0.0746","","","0.1934","0.2062","","","","","","1.242","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042276","11.2299","0.0002","11.2299","0.0002","26.4974","0.001","90","","90","","120","","2893.91","0.13","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 Er N4 O9 -","- C18 H13 Er N4 O9 -","- C108 H78 Er6 N24 O54 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0484","0.0437","","","0.1329","0.1349","","","","","","1.104","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042279","11.2815","0.0002","11.2815","0.0002","26.6752","0.001","90","","90","","120","","2940.17","0.13","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 Gd N4 O9 -","- C18 H13 Gd N4 O9 -","- C108 H78 Gd6 N24 O54 -","6","1","","Chen, Wei; Fan, Ruiqing; Zhang, Huijie; Dong, Yuwei; Wang, Ping; Yang, Yulin","Tunable white-light emission PMMA-supported film materials containing lanthanide coordination polymers: preparation, characterization, and properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4265","4277","10.1039/c7dt00218a","","","0.71073","MoKα","","0.0477","0.0474","","","0.1357","0.136","","","","","","1.069","","","","has coordinates","195088","2020-10-21","18:00:00",""
"7042704","17.6523","0.0018","17.6523","0.0018","12.1223","0.0013","90","","90","","120","","3271.3","0.6","173","2","173","2","","","","","","","","4","P 61","P 61","169","","","","- C26 H24 N2 O4 -","- C26 H20 N2 O2 -","- C156 H120 N12 O12 -","6","1","","Cetin, Muhammet Mustafa; Hodson, Roman T.; Hart, C. Robin; Cordes, David Bradford; Findlater, Michael; Casadonte, Dominick J.; Cozzolino, Anthony Frank; Mayer, Michael Frederick","Synthesis, structural characterization, photophysical properties, DFT and TDDFT calculations, and photoredox catalysis studies of 2,9-di(aryl)-1,10-phenanthroline copper (I) complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00400A","","","0.71075","MoKα","","0.1375","0.0809","","","0.1659","0.1941","","","","","","1.047","","","","has coordinates","195407","2020-10-21","18:00:00",""
"7050863","8.3553","0.0008","8.3553","0.0008","26.657","0.004","90","","90","","120","","1611.6","0.3","110","2","110","2","","","","","","","","6","P 61","P 61","169","","","","- C3 H8 N O9 P3 Zn2 -","- C3 H7 N O9 P3 Zn2 -","- C18 H42 N6 O54 P18 Zn12 -","6","1","","Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham","Hydrothermal synthesis, characterization and crystal structures of two new zinc(ii) phosphonates: Zn2[(O3PCH2)2NHCH2CO2] and Zn2[HO3PCH2NH(CH2PO3)2]","New Journal of Chemistry","2002","26","8","1010","","10.1039/b202096n","","","0.71073","MoKα","","0.0918","0.0656","","","0.1132","0.1269","","","","","","1.148","","","","has coordinates","180062","2020-10-21","18:00:00",""
"7050864","8.0677","0.0012","8.0677","0.0012","27.283","0.006","90","","90","","120","","1537.9","0.5","110","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C4 H7 N O8 P2 Zn2 -","- C4 H7 N O8 P2 Zn2 -","- C24 H42 N6 O48 P12 Zn12 -","6","1","","Mao, Jiang-Gao; Wang, Zhike; Clearfield, Abraham","Hydrothermal synthesis, characterization and crystal structures of two new zinc(ii) phosphonates: Zn2[(O3PCH2)2NHCH2CO2] and Zn2[HO3PCH2NH(CH2PO3)2]","New Journal of Chemistry","2002","26","8","1010","","10.1039/b202096n","","","0.71073","MoKα","","0.0686","0.0443","","","0.0941","0.103","","","","","","0.955","","","","has coordinates","180062","2020-10-21","18:00:00",""
"7060153","9.8217","0.0009","9.8217","0.0009","32.6","0.005","90","","90","","120","","2723.5","0.5","298","2","298","2","","","","","","","","6","P 61","P 61","169","","","","- C18 H18 F6 N O P -","- C18 H18 F6 N O P -","- C108 H108 F36 N6 O6 P6 -","6","1","","Puerto Galvis, Carlos E.; Granados, Cristian C.; Kouznetsov, Vladimir V.; Macías, Mario A.","Synthesis and X-ray crystallographic analysis of free base and hexafluorophosphate salts of 3,4-dihydroisoquinolines from the Bischler‒Napieralski reaction","New Journal of Chemistry","2021","45","3","1565","1572","10.1039/D0NJ05235C","","","0.71073","MoKα","","0.0775","0.0636","","","0.1704","0.1866","","","","","","1.073","","","","has coordinates,has disorder","261748","2021-02-04","23:28:52",""
"7062948","25.6308","0.0019","25.6308","0.0019","13.8132","0.0012","90","","90","","120","","7858.7","1.1","170","0.1","170","0.1","","","","","","","","4","P 61","P 61","169","","","","- C23 H29 N3 O4 -","- C23 H29 N3 O4 -","- C276 H348 N36 O48 -","12","2","","Chen, Zi-Yue; Wang, Xi-Rui; Xu, Ke-Lan; Hu, Pan; Tian, You-Ping; Wang, Hui-Juan; Zhou, Ying; Liu, Xiong-Li","Py-2NO ligand enabled Ni(ii)-catalyzed asymmetric Michael addition reaction of indoles with β,γ-unsaturated α-keto esters","New Journal of Chemistry","2024","48","4","1688","1695","10.1039/D3NJ05076A","","","1.54184","CuKα","","0.1524","0.087","","","0.2086","0.231","","","","","","0.818","","","","has coordinates","289592","2024-02-04","12:22:42",""
"7101451","15.583","0.002","15.583","0.002","9.964","0.001","90","","90","","120","","2095.4","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C12 H15 N3 O2 -","- C12 H15 N3 O2 -","- C72 H90 N18 O12 -","6","1","","Schaffner, Arnaud-Pierre; Lena, Gersande; Roussel, Solveig; Wawrezinieck, Anne; Aubry, André; Briand, Jean-Paul; Didierjean, Claude; Guichard, Gilles","Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4069","4071","10.1039/b604747e","","x-ray","1.5406","","","0.0489","0.0462","","","0.1178","0.1246","","","","","","1.13","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101453","15.3543","0.0011","15.3543","0.0011","9.7571","0.0017","90","","90","","120","","1992.1","0.4","100","2","293","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C12 H15 N3 O2 -","- C12 H15 N3 O2 -","- C72 H90 N18 O12 -","6","1","","Schaffner, Arnaud-Pierre; Lena, Gersande; Roussel, Solveig; Wawrezinieck, Anne; Aubry, André; Briand, Jean-Paul; Didierjean, Claude; Guichard, Gilles","Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes","Chemical Communications (Cambridge, United Kingdom)","2006","","39","4069","4071","10.1039/b604747e","","x-ray","0.71073","MoKα","","0.0727","0.0636","","","0.174","0.1832","","","","","","1.058","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7102501","10.9341","0.0003","10.9341","0.0003","35.377","0.002","90","","90","","120","","3662.8","0.3","373","2","373","2","","","","","","","","5","P 61","P 61","169","","tert-butyl 2-[biphenyl-2-yl(phenyl)phosphorothioyl]benzoate","","- C29 H27 O2 P S -","- C29 H27 O2 P S -","- C174 H162 O12 P6 S6 -","6","1","","Korff, Christian; Helmchen, Gunter","Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P-C cross-coupling.","Chemical communications (Cambridge, England)","2004","","5","530","531","10.1039/b315009g","","","0.71073","MoKα","","0.0279","0.0263","","","0.0601","0.0605","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7107200","24.65","0.02","24.65","0.02","19.73","0.019","90","","90","","120","","10382","16","110","2","110","2","","","","","","","","5","P 61","P 61","169","","","","- C30 H26 Co3 N2 O12 -","- C30 H26 Co3 N2 O12 -","- C180 H156 Co18 N12 O72 -","6","1","","Jinhee Park; Jian-Rong Li; E. Carolina Sanudo; Daqiang Yuan; Hong-Cai Zhou","A porous metal-organic framework with helical chain building units exhibiting facile transition from micro- to meso-porosity","Chem.Commun.","2012","48","","883","","10.1039/c1cc16261f","","","0.71073","MoKα","","0.0229","0.0208","","","0.0495","0.05","","","","","","0.979","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107356","21.0747","0.0007","21.0747","0.0007","11.2029","0.0005","90","","90","","120","","4309.1","0.3","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C54 H49 Cd2 N10 O13.5 -","- C54 H49 Cd2 N10 O13.5 -","- C162 H147 Cd6 N30 O40.5 -","3","0.5","","Xiao-Li Sun; Wen-Chao Song; Shuang-Quan Zang; Chen-Xia Du; Hong-Wei Hou; Thomas C. W. Mak","Hierarchical assembly of a homochiral triple concentric helical system in a novel 3D supramolecular metal-organic framework: synthesis, crystal structure, and SHG properties","Chem.Commun.","2012","48","","2113","","10.1039/c2cc16779d","","","0.71073","MoKα","","0.0471","0.0366","","","0.08","0.0829","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109353","17.7336","0.0011","17.7336","0.0011","10.3433","0.0008","90","","90","","120","","2817","0.3","100","2","100","2","","","","","","","","5","P 61","P 61","169","ValZnFor","","","- C12 H19 N2 O6 Zn -","- C12 H15 N2 O6 Zn -","- C72 H90 N12 O36 Zn6 -","6","1","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.0793","0.0711","","","0.1895","0.206","","","","","","1.108","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109354","17.4542","0.0006","17.4542","0.0006","10.3953","0.0003","90","","90","","120","","2742.63","0.16","100","2","100","2","","","","","","","","5","P 61","P 61","169","ValZnOAc","","","- C13 H22 N2 O6 Zn -","- C13 H18 N2 O6 Zn -","- C78 H108 N12 O36 Zn6 -","6","1","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.0586","0.0546","","","0.148","0.1505","","","","","","1.103","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109355","17.4587","0.0002","17.4587","0.0002","10.24475","0.00014","90","","90","","120","","2704.31","0.06","100","2","100","2","","","","","","","","6","P 61","P 61","169","AlaZnCl","","","- C9 H15 Cl N2 O4 Zn -","- C9 H11 Cl N2 O4 Zn -","- C54 H66 Cl6 N12 O24 Zn6 -","6","1","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.0436","0.042","","","0.1237","0.1253","","","","","","1.142","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109356","17.686","0.002","17.686","0.002","10.1964","0.0013","90","","90","","120","","2762.1","0.6","293","2","293","2","","","","","","","","5","P 61","P 61","169","AlaZnFor293K","","","- C10 H12 N2 O4 Zn -","- C10 H12 N2 O4 Zn -","- C60 H72 N12 O24 Zn6 -","6","1","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.1188","0.0564","","","0.1656","0.2546","","","","","","1.045","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7111076","13.0505","0.0005","13.0505","0.0005","29.9705","0.0007","90","","90","","120","","4420.6","0.3","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C29 H37 B N3 O3 P -","- C29 H37 B N3 O3 P -","- C174 H222 B6 N18 O18 P6 -","6","1","","Marchi, Caroline; Delapierre, Guillaume; Fotiadu, Frédéric; Buono, Gérard","First totally diastereoselective opening of chiral triquinphosphoranes. A new access to enantiopure oxazaphospholidines","Chemical Communications","2000","","22","2227","","10.1039/b005884j","","","0.7107","MoKα","","0.073","0.0595","","","0.1509","0.1746","","","","","","1.185","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111296","10.4461","0.0001","10.4461","0.0001","39.4227","0.0004","90","","90","","120","","3725.51","0.06","123","2","123","2","","","","","","","","5","P 61","P 61","169","","(S)-Tricarbonyl[eta6-4a,5,6,7,8,8a-1-tert.butyldimethylsilyloxy-2,3-diethyl-4-methoxynaphthalene]chromium(0)","","- C24 H32 Cr O5 Si -","- C24 H32 Cr O5 Si -","- C144 H192 Cr6 O30 Si6 -","6","1","","Jahr, Holger C.; Nieger, Martin; Heinz Dötz, Karl","Controlled haptotropic rearrangements ‒ towards a stereospecific molecular switch based on chiral arene chromium complexes","Chemical Communications","2003","","23","2866","2867","10.1039/b307487k","","","0.71073","MoKα","","0.0302","0.0247","","","0.0526","0.0541","","","","","","0.99","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111456","13.984","0.0007","13.984","0.0007","36.504","0.003","90","","90","","120","","6182.1","0.7","133","2","133","2","","","","","","","","3","P 61","P 61","169","Hexa-O-benzoyl-myo-inositol","Hexa-O-benzoyl-myo-inositol","","- C48 H36 O12 -","- C48 H36 O12 -","- C288 H216 O72 -","6","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Capturing a metastable chiral polymorph of an achiral molecule?hexa-O-benzoyl-myo-inositol","Chemical Communications","2004","","22","2530","2531","10.1039/b410051d","","","0.71073","MoKα","","0.0977","0.0657","","","0.1132","0.1222","","","","","","1.056","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111952","11.64595","0.00008","11.64595","0.00008","31.3727","0.0003","90","","90","","120","","3684.96","0.05","293","2","293","2","","","","","","","","4","P 61","P 61","169","","","","- C24 H27 O8 P -","- C24 H27 O8 P -","- C144 H162 O48 P6 -","6","1","","Fuyi Zhang; Liming Wang; Cui Zhang; Yufen Zhao","Novel regio- and stereoselective phosphonyl radical addition to glycals promoted by Mn(II)-air: syntheses of 1,2-dideoxy 2-C-diphenylphosphinylglycopyranosides","Chem.Commun.","2014","50","","2046","","10.1039/c3cc48806c","","","1.54184","CuKα","","0.0384","0.0365","","","0.0978","0.0995","","","","","","1.033","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7119896","17.764","0.003","17.764","0.003","10.4098","0.0012","90","","90","","120","","2844.8","0.8","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C12 H17 N5 O2 Zn -","- C12 H17 N5 O2 Zn -","- C72 H102 N30 O12 Zn6 -","6","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.1268","0.0864","","","0.2175","0.2485","","","","","","1.013","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7122129","13.49276","0.00016","13.49276","0.00016","73.6861","0.0007","90","","90","","120","","11617.6","0.2","90","0.3","90","0.3","","","","","","","","5","P 61","P 61","169","","","","- C56 H128 O20 Si4 Sm2 -","- C56 H128 O20 Si4 Sm2 -","- C336 H768 O120 Si24 Sm12 -","6","1","","Kelly, Rory P.; Toniolo, Davide; Tirani, Farzaneh Fadaei; Maron, Laurent; Mazzanti, Marinella","A tetranuclear samarium(ii) inverse sandwich from direct reduction of toluene by a samarium(ii) siloxide.","Chemical communications (Cambridge, England)","2018","54","73","10268","10271","10.1039/c8cc04169e","","x-ray","1.54184","CuKα","","0.085","0.0819","","","0.1848","0.187","","","","","","1.171","","","","has coordinates","228047","2020-10-21","18:00:00",""
"7126980","10.0345","0.0009","10.0345","0.0009","21.669","0.002","90","","90","","120","","1889.6","0.3","296","2","296.15","","","","","","","","","7","P 61","P 61","169","","","","- C8 H10 Cl N O4 Pb S -","- C8 H10 Cl N O4 Pb S -","- C48 H60 Cl6 N6 O24 Pb6 S6 -","6","1","","Song, Xueling; Peng, Chengdong; Xu, Xiaoxiang; Yin, Jinlin; Fei, Honghan","Efficient, broadband self-trapped white-light emission from haloplumbate-based metal-organic frameworks.","Chemical communications (Cambridge, England)","2020","56","69","10078","10081","10.1039/d0cc04473c","","","0.71073","MoKα","","0.0301","0.0238","","","0.0444","0.0458","","","","","","1.009","","","","has coordinates,has disorder","255959","2020-10-21","18:00:00",""
"7128571","19.2612","0.0006","19.2612","0.0006","9.9892","0.0005","90","","90","","120","","3209.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 61","P 61","169","","","","- C23 H33 N O2 Si -","- C23 H33 N O2 Si -","- C138 H198 N6 O12 Si6 -","6","1","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.0684","0.0611","","","0.1663","0.1764","","","","","","1.055","","","","has coordinates,has disorder","268587","2021-09-06","09:34:44",""
"7128809","10.6902","0.0002","10.6902","0.0002","46.4469","0.0009","90","","90","","120","","4596.84","0.15","200","2","200","2","","","","","","","","6","P 61","P 61","169","","","","- C31 H29 Br2 N3 P2 Zn -","- C31 H29 Br2 N3 P2 Zn -","- C186 H174 Br12 N18 P12 Zn6 -","6","1","","Berro, Patrick; Norouziyanlakvan, Somayeh; Rao, Gyaneshwar Kumar; Gabidullin, Bulat; Richeson, Darrin","Electrocatalytic reduction of CO<sub>2</sub> to CO and HCO<sub>2</sub><sup>-</sup> with Zn(II) complexes displaying cooperative ligand reduction.","Chemical communications (Cambridge, England)","2021","57","73","9292","9295","10.1039/d1cc03887g","","","0.71073","MoKα","","0.0467","0.0421","","","0.1026","0.1047","","","","","","1.021","","","","has coordinates","269608","2021-10-06","13:44:08",""
"7129708","12.7423","0.0015","12.7423","0.0015","22.89","0.004","90","","90","","120","","3218.6","0.8","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C22 H24 Br N O -","- C22 H24 Br N O -","- C132 H144 Br6 N6 O6 -","6","1","","Huang, Shuai; Zhang, Gao-Peng; Jiang, Yang-Jie; Yu, Fei-Le; Ding, Chang-Hua; Hou, Xuelong","Pd-Catalyzed Umpolung Asymmetric Allylic Alkylation of Hydrazones to Vicinal Tertiary and Quaternary Chiral Carbon Centers","Chemical Communications","2022","","","","","10.1039/D1CC07074F","","","0.71073","MoKα","","0.1108","0.0701","","","0.184","0.2033","","","","","","1.029","","","","has coordinates","272945","2022-02-12","22:53:47",""
"7130076","11.9093","0.0002","11.9093","0.0002","68.9715","0.001","90","","90","","120","","8471.7","0.2","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C60 H66 N8 O8 -","- C60 H66 N8 O8 -","- C360 H396 N48 O48 -","6","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","","0.0772","0.0626","","","0.1627","0.1751","","","","","","1.068","","","","has coordinates","275373","2022-05-12","21:56:04",""
"7131251","16.3968","0.0017","16.3968","0.0017","14.4171","0.0012","90","","90","","120","","3356.8","0.6","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C14 H24 Cd N2 O6 -","- C14 H24 Cd N2 O6 -","- C84 H144 Cd6 N12 O36 -","6","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","","0.71073","MoKα","","0.097","0.0725","","","0.1893","0.2152","","","","","","1.028","","","","has coordinates","282621","2023-04-13","12:20:37",""
"7131252","16.3028","0.0008","16.3028","0.0008","14.8888","0.0005","90","","90","","120","","3427","0.3","298","2","298","2","","","","","","","","6","P 61","P 61","169","","","","- C12 H16 Br Cd N2 O2 -","- C12 H16 Br Cd N2 O2 -","- C72 H96 Br6 Cd6 N12 O12 -","6","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","x-ray","0.71073","MoKα","","0.1337","0.0955","","","0.2463","0.299","","","","","","1.038","","","","has coordinates","282621","2023-04-13","12:20:47",""
"7131253","16.4524","0.0013","16.4524","0.0013","14.6419","0.0008","90","","90","","120","","3432.3","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C12 H17 Cd Cl N2 O2 -","- C12 H17 Cd Cl N2 O2 -","- C72 H102 Cd6 Cl6 N12 O12 -","6","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","","0.71073","MoKα","","0.1255","0.0817","","","0.1941","0.227","","","","","","0.993","","","","has coordinates","282621","2023-04-13","12:20:49",""
"7150262","14.153","0.001","14.153","","25.881","0.002","90","","90","","120","","4489.6","0.5","296.2","","296.2","","","","","","","","","5","P 61","P 61","169","","","","- C27 H33 Cl O9 Si -","- C27 H32 Cl O9 Si -","- C162 H192 Cl6 O54 Si6 -","6","1","","Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J.","A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis.","Organic & biomolecular chemistry","2005","3","20","3654","3677","10.1039/b508675b","","","1.5418","CuKα","","","0.0907","","","0.0954","","","","","2.499","2.499","","","","","has coordinates","209484","2020-10-21","18:00:00",""
"7151117","23.6218","0.0016","23.6218","0.0016","4.7492","0.0007","90","","90","","120","","2295","0.4","100","2","100","2","","","","","","","","2","P 61","P 61","169","","","","- C23 H16 -","- C23 H16 -","- C138 H96 -","6","1","","Nikitin, Kirill; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","Joining the rings: the preparation of 2- and 3-indenyl-triptycenes, and curious related processes.","Organic & biomolecular chemistry","2007","5","12","1952","1960","10.1039/b703437g","","","0.71073","MoKα","","0.0686","0.0623","","","0.1986","0.2088","","","","","","1.376","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151263","11.1634","0.0001","11.1634","0.0001","33.8352","0.0005","90","","90","","120","","3651.68","0.07","200","2","200","2","","","","","","","","4","P 61","P 61","169","","","","- C29 H25 O3 P -","- C29 H25 O3 P -","- C174 H150 O18 P6 -","6","1","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0696","0.0582","","","0.1422","0.1514","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151308","9.7591","0.0016","9.7591","0.0016","29.158","0.01","90","","90","","120","","2405","1","293","2","293","2","","","","","","","","4","P 61","P 61","169","t-butyloxycarbonyl-prolyl-gaba-aminobutyric acid","t-butyloxycarbonyl-prolyl-gaba-aminobutyric acid","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C84 H144 N12 O30 -","6","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.099","0.0773","","","0.1243","0.1306","","","","","","1.263","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151475","8.994","0.002","8.994","0.002","43.134","0.006","90","","90","","120","","3021.7","1","293","2","293","2","","","","","","","synthesis as described","4","P 61","P 61","169","","","","- C18 H25 N O7 -","- C18 H25 N O7 -","- C108 H150 N6 O42 -","6","1","","Peter B. Hitchcock; Shazia Rahman (née Masood); Douglas W. Young","An alternative to the use of δ-lactam urethanes in the “ring switch” approach to higher homologues of AMPA-type glutamate antagonists","Org. Biomol. Chem.","2003","1","15","2682","2688","10.1039/b304609p","","x-ray","0.71073","MoKα","","0.0616","0.0451","","","0.1081","0.1198","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151635","18.7436","0.0005","18.7436","0.0005","13.3951","0.0004","90","","90","","120","","4075.5","0.2","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C20 H20 Cl2 N2 Pd -","- C20 H20 Cl2 N2 Pd -","- C120 H120 Cl12 N12 Pd6 -","6","1","","Grach, Guillaume; Dinut, Aurelia; Marque, Sylvain; Marrot, Jérôme; Gil, Richard; Prim, Damien","Enantioselective Friedel-Crafts alkylation of indole derivatives catalyzed by new Yb(OTf)3-pyridylalkylamine complexes as chiral Lewis acids.","Organic & biomolecular chemistry","2011","9","2","497","503","10.1039/C0OB00461H","","","0.71073","MoKα","","0.0523","0.0447","","","0.1229","0.1294","","","","","","1.109","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151764","10.695","0.001","10.695","0.001","25.134","0.004","90","","90","","120","","2489.7","0.5","298","2","298","2","","","","","","","","4","P 61","P 61","169","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C114 H138 N6 O24 -","6","1","","Haning, Helmut; Giró-Mañas, Carles; Paddock, Victoria L.; Bochet, Christian G.; White, Andrew J. P.; Bernardinelli, Gerald; Mann, Inderjit; Oppolzer, Wolfang; Spivey, Alan C.","Total synthesis of the Amaryllidaceae alkaloid clivonine.","Organic & biomolecular chemistry","2011","9","8","2809","2820","10.1039/c0ob00895h","","","0.71073","MoKα","","0.1136","0.0446","","","0.0727","0.0846","","","","","","0.959","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7152202","21.382","0.002","21.382","0.002","10.7536","0.001","90","","90","","120","","4257.8","0.7","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C32.33 H42.33 I N2 O2 -","- C23 H21 I N2 O2 -","- C138 H126 I6 N12 O12 -","6","1","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.16","0.0916","","","0.2924","0.3676","","","","","","1.065","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152825","14.959","0.002","14.959","0.002","14.02","0.003","90","","90","","120","","2717","0.8","113","2","113","2","","","","","","","","4","P 61","P 61","169","","","","- C21 H17 Br O4 -","- C21 H17 Br O4 -","- C126 H102 Br6 O24 -","6","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","0.71073","MoKα","","0.0383","0.0337","","","0.0636","0.0657","","","","","","1.007","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7153793","21.6553","0.0009","21.6553","0.0009","9.8316","0.0006","90","","90","","120","","3992.9","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C22 H16 Cl N5 O2 -","- C22 H16 Cl N5 O2 -","- C132 H96 Cl6 N30 O12 -","6","1","","Huang, Xiao-Fei; Zhang, Ya-Fei; Qi, Zheng-Hang; Li, Nai-Kai; Geng, Zhi-Cong; Li, Kun; Wang, Xing-Wang","Organocatalytic enantioselective construction of multi-functionalized spiro oxindole dienes.","Organic & biomolecular chemistry","2014","12","25","4372","4385","10.1039/c4ob00545g","","","0.71073","MoKα","","0.0659","0.0527","","","0.1345","0.1417","","","","","","0.995","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7154979","9.0807","0.0003","9.0807","0.0003","33.7042","0.0011","90","","90","","120","","2406.87","0.14","100","2","100","2","","","","","","","","4","P 61","P 61","169","","3 R ,4 R )-Methyl 1-oxo-3-phenyl-3-(trifluoromethyl)isochrom an-4-carboxylate","","- C18 H13 F3 O4 -","- C18 H13 F3 O4 -","- C108 H78 F18 O24 -","6","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.0228","0.0228","","","0.0674","0.0674","","","","","","1.463","","","","has coordinates","181789","2020-10-21","18:00:00",""
"7155635","13.54378","0.00008","13.54378","0.00008","48.366","0.0003","90","","90","","120","","7683.35","0.08","150","2","150","2","","","","","","","","3","P 61","P 61","169","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C432 H288 O36 -","18","3","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54178","CuKα","","0.0318","0.0315","","","0.0829","0.083","","","","","","1.041","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7156511","9.3038","0.0003","9.3038","0.0003","33.9408","0.0013","90","","90","","120","","2544.33","0.15","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C114 H102 N6 O36 -","6","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.","Organic & biomolecular chemistry","2018","16","41","7574","7578","10.1039/c8ob02248h","","x-ray","1.54178","CuKα","","0.0256","0.0256","","","0.0661","0.0661","","","","","","1.06","","","","has coordinates","230628","2020-10-21","18:00:00",""
"7157294","8.009","0.0004","8.009","0.0004","49.0398","0.0013","90","","90","","120","","2724.2","0.2","296","","296","","","","","","","","","4","P 61","P 61","169","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C120 H156 O18 S6 -","6","1","","Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu","Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.","Organic & biomolecular chemistry","2020","18","4","687","693","10.1039/c9ob02249j","","","1.54187","CuKα","","0.0358","0.0357","","","0.0902","0.0903","","","","","","1.176","","","","has coordinates","247810","2020-10-21","18:00:00",""
"7159434","14.1201","0.0003","14.1201","0.0003","19.4225","0.0006","90","","90","","120","","3353.6","0.14","193","2","193","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H25 N O3 S2 -","- C18 H25 N O3 S2 -","- C108 H150 N6 O18 S12 -","6","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0754","0.0631","","","0.1643","0.1736","","","","","","1.039","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7201479","12.2627","0.0001","12.2627","0.0001","43.0285","0.0009","90","","90","","120","","5603.5","0.13","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C42 H30 Cd2 N4 O8 -","- C42 H30 Cd2 N4 O8 -","- C252 H180 Cd12 N24 O48 -","6","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0498","0.0355","","","0.0516","0.0551","","","","","","1.04","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7202302","14.3295","0.0006","14.3295","0.0006","10.0523","0.0008","90","","90","","120","","1787.55","0.18","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C4 H9.2 Mn N4 O6.6 -","- C4 H9.2 Mn N4 O6.6 -","- C24 H55.2 Mn6 N24 O39.6 -","6","1","","Zhang, Wei-Xiong; Xue, Wei; Lin, Jian-Bin; Zheng, Yan-Zhen; Chen, Xiao-Ming","3D geometrically frustrated magnets assembled by transition metal ion and 1,2,3-triazole-4,5-dicarboxylate as triangular nodes","CrystEngComm","2008","10","12","1770","","10.1039/b809838g","","","0.71073","MoKα","","0.049","0.0478","","","0.1314","0.1324","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203256","21.91","0.002","21.91","","20.559","0.002","90","","90","","120","","8547.1","1.1","150","2","150","2","","","","","","","","5","P 61","P 61","169","(C9H10N2O2)6.(CHCl3)","o-Acetamidobenzamide Chloroform (6/1)","","- C9.17 H10.17 Cl0.5 N2 O2 -","- C9.16667 H10.1667 Cl0.5 N2 O2 -","- C330 H366 Cl18 N72 O72 -","36","6","","Barnett, Sarah A.; Tocher, Derek A.; Vickers, Martin","The solvates of o-acetamidobenzamide","CrystEngComm","2006","8","4","313","","10.1039/b600288a","","","0.71073","MoKα","","0.0766","0.0583","","","0.1406","0.1541","","","","","","1.039","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7206022","17.4504","0.0006","17.4504","0.0006","27.9996","0.0014","90","","90","","120","","7384","0.5","120","2","120","2","","","","","","","","3","P 61","P 61","169","","","","- C56 H66 O9 -","- C56 H66 O9 -","- C336 H396 O54 -","6","1","","Mastalerz, Michael; Estevez Rivera, Hebert Jesus; Oppel, Iris M.; Dyker, Gerald","Supramolecular single-stranded calix[4]arene helices—towards a crystal engineering approach of homochiral assemblies","CrystEngComm","2011","13","12","3979","","10.1039/c1ce05234a","","","1.54184","CuKα","","0.0294","0.0279","","","0.0764","0.077","","","","","","1.061","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7207104","10.5544","0.0002","10.5544","0.0002","20.4446","0.0006","90","","90","","120","","1972.32","0.08","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C13 H11 Cd N O6 -","- C13 H11 Cd N O6 -","- C78 H66 Cd6 N6 O36 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.0207","0.0177","","","0.0337","0.0346","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7207106","10.2723","0.0004","10.2723","0.0004","20.4692","0.0009","90","","90","","120","","1870.54","0.13","298","2","298","2","","","","","","","","5","P 61","P 61","169","","","","- C13 H11 N O6 Zn -","- C13 H11 N O6 Zn -","- C78 H66 N6 O36 Zn6 -","6","1","","Tan, Xin; Zhan, Jixian; Zhang, Jianyong; Jiang, Long; Pan, Mei; Su, Cheng-Yong","Axially chiral metal‒organic frameworks produced from spontaneous resolution with an achiral pyridyl dicarboxylate ligand","CrystEngComm","2012","14","1","63","","10.1039/c1ce05995e","","","0.71073","MoKα","","0.0323","0.0262","","","0.0539","0.0635","","","","","","1.123","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7209921","20.609","0.003","20.609","0.003","28.314","0.004","90","","90","","120","","10415","3","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C63 H72 Cd3 K3 N3 O30 -","- C63 H72 Cd3 K3 N3 O30 -","- C378 H432 Cd18 K18 N18 O180 -","6","1","","Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu","Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains","CrystEngComm","2013","15","26","5201","","10.1039/c3ce40397a","","","0.71073","MoKα","","","0.0704","","","0.1639","0.1652","","","","","","1.106","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7212495","14.427","0.0017","14.427","0.0017","10.0102","0.0015","90","","90","","120","","1804.4","0.4","293","","293","","","","","","","","","4","P 61","P 61","169","L-alanyl-L-valine","L-alanyl-L-valine","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","","Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E.","The effect of pressure on the porous peptide l-alanyl-l-valine","CrystEngComm","2010","12","8","2322","","10.1039/c000942c","","","0.71073","MoKα","","0.1111","0.0648","","0.2188","0.1665","0.2188","","","","","","0.9999","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7212496","13.9836","0.0019","13.9836","0.0019","9.9229","0.0015","90","","90","","120","","1680.4","0.4","293","","293","","","","","","","","","4","P 61","P 61","169","L-alanyl-L-valine","L-alanyl-L-valine","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","","Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E.","The effect of pressure on the porous peptide l-alanyl-l-valine","CrystEngComm","2010","12","8","2322","","10.1039/c000942c","","","0.4872","synchrotron","","0.1276","0.0615","","0.1712","0.1376","0.1712","","","","","","1.0131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212630","9.9669","0.0002","9.9669","","40.3361","0.0006","90","","90","","120","","3470.12","0.09","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C25 H22 F6 P2 -","- C25 H22 F6 P2 -","- C150 H132 F36 P12 -","6","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0538","0.0417","","","0.1038","0.1068","","","","","","1.005","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212772","15.071","0.017","15.071","0.017","28.95","0.04","90","","90","","120","","5695","12","100","","100","","","","","","","","","2","P 61","P 61","169","","","","- C48 H42 -","- C48 H42 -","- C288 H252 -","6","1","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.1078","0.0615","","","0.1447","0.1885","","","","","","1.166","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7214550","17.4807","0.0003","17.4807","0.0003","10.435","0.0002","90","","90","","120","","2761.47","0.09","100","2","100","2","","","","","","","","5","P 61","P 61","169","ThrZnOAc","","","- C12 H26 N2 O10 Zn -","- C12 H16 N2 O10 Zn -","- C72 H96 N12 O60 Zn6 -","6","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks","CrystEngComm","2013","15","45","9634","","10.1039/c3ce41083h","","","0.71073","MoKα","","0.0533","0.0513","","","0.1358","0.1378","","","","","","1.051","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214981","14.465","0.005","14.465","0.003","45.866","0.012","90","","90","","120","","8311","4","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H64 Cl Er N22 O32 -","- C36 H36 Cl Er N22 O22 -","- C216 H216 Cl6 Er6 N132 O132 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0379","0.0368","","","0.0944","0.0948","","","","","","1.079","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214985","14.4478","0.0018","14.4478","0.0018","46.109","0.012","90","","90","","120","","8335","3","223","2","223","2","","","","","","","","5","P 61","P 61","169","","","","- C36 H62 Dy N23 O34 -","- C36 H36 Dy N23 O25 -","- C216 H216 Dy6 N138 O150 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0467","0.042","","","0.107","0.1091","","","","","","1.05","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214986","14.499","0.004","14.499","","45.818","0.012","90","","90","","120","","8341","3","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H68 Cl3 N20 O28 Yb -","- C36 H36 Cl3 N20 O16 Yb -","- C216 H216 Cl18 N120 O96 Yb6 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0371","0.0358","","","0.0888","0.0893","","","","","","1.124","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214987","14.515","0.004","14.515","","45.826","0.013","90","","90","","120","","8361","3","223","2","223","2","","","","","","","","6","P 61","P 61","169","","","","- C36 H74 Cl3 Lu N20 O29 -","- C36 H36 Cl3 Lu N20 O16 -","- C216 H216 Cl18 Lu6 N120 O96 -","6","1","","Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Xiao, Xin; Zhu, Qian-Jiang; Lindoy, Leonard F.; Wei, Gang","Hydroquinone-assisted assembly of coordination polymers from lanthanides and cucurbit[5]uril","CrystEngComm","2012","14","23","7994","","10.1039/c2ce26200b","","","0.71073","MoKα","","0.0725","0.0701","","","0.167","0.1684","","","","","","1.129","","","","has coordinates,has disorder","180480","2020-10-21","18:00:00",""
"7216416","25.35","0.004","25.35","0.004","18.979","0.004","90","","90","","120","","10562","3","293","2","293","2","","","","","","","","3","P 61","P 61","169","2*1,3,5-Tris(2,6-dimethyl-4-carboxyphenyl)benzene+2*Dimethoxyethane+2*H2O","","","- C74 H84 O18 -","- C74 H80 O18 -","- C444 H480 O108 -","6","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-assembly of sterically-rigidified 3-connecting benzenetribenzoic acid into (6,3) and (3,3) nets and stabilization of water channel in the crystal lattice","CrystEngComm","2014","16","22","4853","","10.1039/c3ce42515k","","","0.71073","MoKα","","0.1038","0.0728","","","0.1768","0.1948","","","","","","1.06","","","","has coordinates,has disorder","180495","2020-10-21","18:00:00",""
"7217827","10.3041","0.0001","10.3041","0.0001","29.1806","0.0004","90","","90","","120","","2683.15","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 61","P 61","169","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C150 H108 N12 -","6","1","","Kempf, Julie; Noujeim, Nadim; Schmitzer, Andreea R.","2,4,7-triphenylbenzimidazole : the monomeric unit of supramolecular helical rod-like transmembrane transporters","RSC Advances","2014","","","","","10.1039/C4RA06887D","","","1.54178","CuKα","","0.0261","0.0256","","","0.0666","0.067","","","","","","1.057","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7221168","9.687","","9.687","","19.336","","90","","90","","120","","1571.36","","","","","","","","","","","","","6","P 61","P 61","169","","Cs2 (Pt (C N)4) (H2 O)","","- C4 H2 Cs2 N4 O Pt -","- C4 Cs2 N4 O Pt -","- C24 Cs12 N24 O6 Pt6 -","6","1","","Otto, H.H.; Schulz, H.; Thiemann, K.H.; Yersin, H.; Gliemann, G.","Crystal structure of Cs2 (Pt (C N)4) (H2 O)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","127","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7230547","14.838","0.001","14.838","0.001","42.003","0.003","90","","90","","120","","8008.7","1","293","2","293","2","","","","","","","","6","P 61","P 61","169","lamivudine duplex VI","","","- C36 H48 Cl6 N12 O17 S4 -","- C36 H48 Cl6 N12 O17 S4 -","- C216 H288 Cl36 N72 O102 S24 -","6","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.2581","0.1421","","","0.3309","0.4163","","","","","","1.243","","","","has coordinates","228898","2020-10-21","18:00:00",""
"7233166","14.5403","0.0003","14.5403","0.0003","36.4429","0.0008","90","","90","","120","","6672.5","0.2","180","","180","","","","","","","","","5","P 61","P 61","169","","","","- C54 H53.77 Cl0.24 N2 O4 -","- C54 H53.764 Cl0.236 N2 O4 -","- C324 H322.584 Cl1.416 N12 O24 -","6","1","","Tlustý, M.; Eigner, V.; Babor, M.; Kohout, M.; Lhoták, P.","Synthesis of upper rim-double-bridged calix[4]arenes bearing seven membered rings and related compounds","RSC Advances","2019","9","38","22017","","10.1039/C9RA05075B","","","1.5418","CuKα","","0.0441","0.0438","","0.1007","0.1004","0.1007","","","","","","0.9255","","","","has coordinates,has disorder","217099","2020-10-21","18:00:00",""
"7238132","14.4539","0.0018","14.4539","0.0018","9.996","0.003","90","","90","","120","","1808.5","0.6","105","2","105","2","","","","","","","","4","P 61","P 61","169","L-Valyl-L-alanine","L-Valyl-L-alanine","","- C8.41 H16 N2 O3 -","- C8.411 H16 N2 O3 -","- C50.466 H96 N12 O18 -","6","1","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0564","0.0393","","","0.0875","0.0958","","","","","","1.11","","","","has coordinates","244076","2020-10-21","18:00:00",""
"7238487","23.965","0.003","23.965","0.003","26.192","0.006","90","","90","","120","","13027","4","296","2","296","2","","","","","","","","5","P 61","P 61","169","","","","- C85 H110 N12 O20 Zn2 -","- C53 N O10 Zn2 -","- C318 N6 O60 Zn12 -","6","1","","Han, Zheng-Bo; Liang, Yan-Fang; Zhou, Ming; Zhang, Ya-Ru; Li, Li; Tong, Jian","Two chiral Zn(ii) metal‒organic frameworks with dinuclear Zn2(COO)3 secondary building units: a 2-D (6,3) net and a 3-D 3-fold interpenetrating (3,5)-connected network","CrystEngComm","2012","14","20","6952","","10.1039/c2ce25430a","","","0.71073","MoKα","","0.0832","0.0739","","","0.1947","0.2012","","","","","","1.064","","","","has coordinates","244191","2020-10-21","18:00:00",""
"7238579","14.4478","0.0018","14.4478","0.0018","46.109","0.012","90","","90","","120","","8335","3","223","2","223","2","","","","","","","","5","P 61","P 61","169","compound2a","","","- C36 H58 Dy N23 O32 -","- C36 H58 Dy N23 O32 -","- C216 H348 Dy6 N138 O192 -","6","1","","Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin","Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution","RSC Advances","2012","2","8","3217","","10.1039/c2ra01132h","","","0.71073","MoKα","","0.051","0.0448","","","0.1191","0.1223","","","","","","1.005","","","","has coordinates","244241","2020-10-21","18:00:00",""
"7240297","23.8554","0.0005","23.8554","0.0005","11.0075","0.0002","90","","90","","120","","5424.91","0.19","150","2","150","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H35 Co3 N5 O15 -","- C22 H25 Co3 N4 O13 -","- C132 H150 Co18 N24 O78 -","6","1","","Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing","Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties","CrystEngComm","2020","","","","","10.1039/D0CE00475H","","","0.71073","MoKα","","0.0412","0.037","","","0.0937","0.0974","","","","","","1.054","","","","has coordinates","250675","2020-10-21","18:00:00",""
"7241128","16.2489","0.0013","16.2489","0.0013","45.5303","0.0017","90","","90","","120","","10410.7","1.2","291","2","291","2","","","","","","","","6","P 61","P 61","169","","","","- C63 H43 Cd4 Cl2 N13 O13 -","- C63 H43 Cd4 Cl2 N13 O13 -","- C378 H258 Cd24 Cl12 N78 O78 -","6","1","","Wang, Jun; Chen, Ning-Ning; Qian, Jin; Chen, Xuanrong; Zhang, Xin-Yue; Fan, Liming","Multiresponsive chemosensing and photocatalytic properties of three luminescent coordination polymers derived from bifunctional 1,1'-Di(4-carbonylphenyl)-2,2'-biimidazoline ligand","CrystEngComm","2020","","","","","10.1039/D0CE00814A","","","0.71073","MoKα","","0.032","0.0317","","","0.1034","0.1037","","","","","","1.032","","","","has coordinates","255677","2020-10-21","18:00:00",""
"7242637","9.6734","0.0007","9.6734","0.0007","31.308","0.004","90","","90","","120","","2537.1","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C17 H13 Cl2 N O2 S -","- C17 H13 Cl2 N O2 S -","- C102 H78 Cl12 N6 O12 S6 -","6","1","","Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A.","The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study","CrystEngComm","2021","23","21","3907","3918","10.1039/D1CE00227A","","x-ray","0.71073","MoKα","","0.2147","0.065","","","0.1035","0.1458","","","","","","1.078","","","","has coordinates,has disorder","265991","2021-06-05","18:20:11",""
"7243906","15.531","0.002","15.531","0.002","89.937","0.018","90","","90","","120","","18787","5","243","2","243","2","","","","","","","","5","P 61","P 61","169","","","","- C108 H84 N18 O36 Zn3 -","- C108 H84 N18 O36 Zn3 -","- C648 H504 N108 O216 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.67","synchrotron","","0.1332","0.1014","","","0.2793","0.2997","","","","","","1.742","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243908","15.1763","0.0005","15.1763","0.0005","84.264","0.003","90","","90","","120","","16807.6","1","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C108 H84 N18 O38 Zn3 -","- C108 H84 N17.991 O37.973 Zn3 -","- C648 H504 N107.946 O227.838 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1654","0.1409","","","0.3414","0.3564","","","","","","1.34","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7246472","7.0916","0.0002","7.0916","0.0002","31.4164","0.0013","90","","90","","120","","1368.28","0.08","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C5 H7 I2 N3 -","- C5 H7 I2 N3 -","- C30 H42 I12 N18 -","6","1","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0717","0.0397","","","0.0623","0.0682","","","","","","1.033","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7247360","9.3792","0.0004","9.3792","0.0004","22.4879","0.0009","90","","90","","120","","1713.21","0.12","100","","100","","","","","","","","","5","P 61","P 61","169","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0327","0.0284","","","0.0453","0.0463","","","","","","1.004","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7704611","44.9573","0.0017","44.9573","0.0017","25.3111","0.0009","90","","90","","120","","44304","3","294","2","294.61","","","","","","","","","7","P 61","P 61","169","","","","- C24 H170 Eu4 K14 O236 Te4 W42 -","- C24 H31 Eu4 K2 O192 Te4 W42 -","- C144 H186 Eu24 K12 O1152 Te24 W252 -","6","1","","Zhang, Yan; Wang, Dan; Zeng, Baoxing; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu","An unprecedented polyhydroxycarboxylic acid ligand bridged multi-Eu<sup>III</sup> incorporated tellurotungstate and its luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","8933","8948","10.1039/d0dt00729c","","","0.71073","MoKα","","0.0607","0.0408","","","0.0857","0.0902","","","","","","1.039","","","","has coordinates","254989","2020-10-21","18:00:00",""
"7704746","9.3905","0.0002","9.3905","0.0002","40.1802","0.0017","90","","90","","120","","3068.46","0.16","200","2","200","2","","","","","","","","6","P 61","P 61","169","","","","- C23 H19 Cl N O P -","- C23 H19 Cl N O P -","- C138 H114 Cl6 N6 O6 P6 -","6","1","","Gericke, Robert; Wagler, Jörg","(2-Pyridyloxy)arsines as ligands in transition metal chemistry: a stepwise As(iii) →As(ii) →As(i) reduction.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10042","10051","10.1039/d0dt01538e","","","0.71073","MoKα","","0.0362","0.0325","","","0.0761","0.0806","","","","","","1.077","","","","has coordinates","254954","2020-10-21","18:00:00",""
"7706980","12.2492","0.0005","12.2492","0.0005","33.5991","0.0016","90","","90","","120","","4365.9","0.3","100","2","99.99","","","","","","","","","6","P 61","P 61","169","","Tris((1S,2S)-(+)-1,2-diaminocyclohexane)Chromium(III)ChloridePentahydrate","","- C18 H52 Cl3 Cr N6 O5 -","- C18 H52 Cl3 Cr N6 O5 -","- C108 H312 Cl18 Cr6 N36 O30 -","6","1","","Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M.","Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5342","5350","10.1039/d1dt00066g","","","0.71073","MoKα","","0.065","0.056","","","0.1362","0.1472","","","","","","1.097","","","","has coordinates","266080","2021-06-05","18:52:32",""
"7707448","20.266","0.002","20.266","0.002","20.0904","0.0018","90","","90","","120","","7145.9","1.2","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C324 H288 N72 O36 -","18","3","","Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Elango, K. P.; Kalaivani, P.; Prabhakaran, R.","Dual sensing of methionine and aspartic acid in aqueous medium by a quinoline-based fluorescent probe.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8820","8830","10.1039/d1dt00648g","","","0.71073","MoKα","","0.2135","0.1351","","","0.3388","0.3987","","","","","","1.016","","","","has coordinates","267182","2021-07-05","17:39:49",""
"8100258","15.132","0.005","15.132","0.005","24.23","0.02","90","0.05","90","0.05","120","0.03","4805","5","293","2","293","2","","","","","","","","4","P 61","P 61","169","N-tert-butyloxy-carbonyl-alanyl-dehydro-phenylalanyl- dehydro-phenylalanyl-alanine methyl ester","","","- C30 H36 N4 O7 -","- C30 H36 N4 O7 -","- C180 H216 N24 O42 -","6","1","","Makker, J.; Sahini, G.; Goel, V.; Dey, S.; Singh, T.P.","Crystal structure of tertiary butyloxycarbonyl-L-Ala-ΔPhe-ΔPhe- L-Ala-OCH~3~, C~30~H~36~N~4~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","55","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100890","9.52","0.004","9.52","0.004","15.438","0.006","90","","90","","120","","1211.7","0.9","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- B Cu Li O11 P2 -","- B Cu Li O11 P2 -","- B6 Cu6 Li6 O66 P12 -","6","1","","Boy, I.; Kniep, R.","Crystal structure of lithium copper(II) monoaqua catena-[monoboro- diphosphate] dihydrate, LiCu(H~2~O)[BP~2~O~8~] · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","7","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100891","9.469","0.002","9.469","0.002","15.667","0.002","90","","90","","120","","1216.5","0.4","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- B Li O11 P2 Zn -","- B Li O11 P2 Zn -","- B6 Li6 O66 P12 Zn6 -","6","1","","Boy, I.; Kniep, R.","Crystal structure of lithium zinc diaqua catena-[monoboro-diphosphate]- monohydrate, LiZn(H~2~O)~2~[BP~2~O~8~] · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","9","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103589","7.0833","","7.0833","","17.987","","90","","90","","120","","781.557","","","","","","","","","","","","","4","P 61","P 61","169","","Ba (N O2)2 (H2 O)","","- Ba H2 N2 O5 -","- Ba H2 N2 O5 -","- Ba6 H12 N12 O30 -","6","1","","Schaefer, G.; Fischer, K.F.","Die Struktur des Bariumnitrit-Monohydrate Ba (N O2)2 (H2 O)","Zeitschrift fuer Kristallographie (149,1979-)","1981","155","","75","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","211155","2020-10-21","18:00:00",""
"9001950","9.995","","9.995","","24.797","","90","","90","","120","","2145.34","","","","","","","","","","","","Synthetic","4","P 61","P 61","169","","","Nepheline","- Al Na O4 Si -","- Al Na O4 Si -","- Al24 Na24 O96 Si24 -","24","4","","Kahlenberg, V.; Bohm, H.","Crystal structure of hexagonal trinepheline - A new synthetic NaAlSiO4 modification","American Mineralogist","1998","83","","631","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""