# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:52:22+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P c a b' 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
"1001356","7.579","0.002","11.321","0.004","15.259","0.005","90","","90","","90","","1309.3","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","Potassium niobium uranium oxide","","- K Nb O6 U -","- K Nb O6 U -","- K8 Nb8 O48 U8 -","8","1","","Gasperin, M","Synthese et structure de trois niobouranates d'ions monovalents: Tl Nb~2~ U~2~ O~11.5~, K Nb U O~6~, et Rb Nb U O~6~","Journal of Solid State Chemistry","1987","67","","219","224","10.1016/0022-4596(87)90357-4","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011183","5.5","","11.75","","5.59","","90","","90","","90","","361.3","","","","","","","","","","","","from Rendaizi mine, Izu Peninsula, Shizuoka Prefecture","2","P c a b","-P 2bc 2ac","61","","Tellurium oxide","Tellurite","- O2 Te -","- O2 Te -","- O16 Te8 -","8","1","","Ito, T; Sawada, H","The crystal structure of tellurite (Te O2)","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1940","102","","13","25","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100943","11.191","0.0011","14.194","0.001","33.151","0.001","90","0.004","90","0.006","90","0.007","5265.9","0.7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C27 H19 Cl2 N5 O5 Ru -","- C27 H19 Cl2 N5 O5 Ru -","- C216 H152 Cl16 N40 O40 Ru8 -","8","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","MoKα","","0.0475","0.0347","","","0.0814","0.0896","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100944","11.196","0.0009","14.428","0.001","34.039","0.006","90","0.011","90","0.01","90","0.006","5498.5","1.1","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C27 H20 Cl N6 O7.5 Ru -","- C27 H20 Cl N6 O7.5 Ru -","- C216 H160 Cl8 N48 O60 Ru8 -","8","1","","Nripen Chanda; Debamita Paul; Sanjib Kar; Shaikh M. Mobin; Anindya Datta; Vedavati G. Puranik; K. Krishnamurthy Rao; Goutam Kumar Lahiri","Effect of 2-(2-Pyridyl)azole-Based Ancillary Ligands (L1-4) on the Electrophilicity of the Nitrosyl Function in [RuII(trpy)(L1-4)(NO)]3+ [trpy = 2,2':6',2''-Terpyridine]. Synthesis, Structures, and Spectroscopic, Electrochemical, and Kinetic Aspects","Inorganic Chemistry","2005","44","","3499","3511","10.1021/ic048184w","","","0.7093","","","0.0495","0.0357","","","0.0848","0.0918","","","","","","1.063","","","","has coordinates","189516","2020-10-21","18:00:00",""
"1503197","8.2353","0.0005","13.2297","0.0016","28.508","0.003","90","","90","","90","","3106","0.5","200","2","200","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C136 H152 N8 O40 -","8","1","","Miege, Frédéric; Meyer, Christophe; Cossy, Janine","Synthesis of 3-oxa- and 3-azabicyclo[4.1.0]heptanes by gold-catalyzed cycloisomerization of cyclopropenes.","Organic letters","2010","12","18","4144","4147","10.1021/ol101741f","","","0.71073","MoKα","","0.1494","0.0731","","","0.1882","0.2253","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504632","8.1975","0.0002","16.851","0.0005","26.2443","0.0008","90","","90","","90","","3625.28","0.18","200","2","200","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C23 H16 Cl2 O -","- C23 H16 Cl2 O -","- C184 H128 Cl16 O8 -","8","1","","Lee, Gon-Ann; Chen, Ko Chou","The general synthesis and trapping of 3-substituted 1-chlorocyclopropenes.","Organic letters","2008","10","9","1843","1845","10.1021/ol8004479","","","0.71073","MoKα","","0.1614","0.0737","","","0.1713","0.2159","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506007","7.046","0.004","15.999","0.01","26.916","0.016","90","","90","","90","","3034","3","213","2","213","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H22 N4 O3 -","- C14 H22 N4 O3 -","- C112 H176 N32 O24 -","8","1","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.1536","0.1479","","","0.3331","0.3383","","","","","","1.163","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507807","11.145","0.003","14.533","0.005","16.506","0.004","90","0","90","0","90","0","2673.5","1.3","295","2","295","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C136 H96 N16 O24 -","8","1","","Chen, Minghua; Gan, Lishe; Lin, Sheng; Wang, Xiaoliang; Li, Li; Li, Yuhuan; Zhu, Chenggen; Wang, Yanan; Jiang, Bingya; Jiang, Jiandong; Yang, Yongchun; Shi, Jiangong","Alkaloids from the Root of Isatis indigotica.","Journal of natural products","2012","75","6","1167","1176","10.1021/np3002833","","","1.54187","CuKα","","0.0488","0.0457","","","0.111","0.1151","","","","","","1.107","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508301","9.7758","0.0003","22.9743","0.0008","24.7453","0.0009","90","","90","","90","","5557.6","0.3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H28 N2 O4 S2 -","- C32 H28 N2 O4 S2 -","- C256 H224 N16 O32 S16 -","8","1","","Mo, Juntae; Eom, Dahan; Lee, Euichul; Lee, Phil Ho","Hybrid system of metal/Brønsted acid relay catalysis for the intramolecular double hydroarylation and cationic cyclization of diyne diethers and diamines.","Organic letters","2012","14","14","3684","3687","10.1021/ol301522y","","","0.71073","MoKα","","0.1029","0.0586","","","0.1398","0.1621","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1510366","5.889","","8.847","","34.674","","90","","90","","90","","1806.52","","","","","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","Bi4 (Au2 O9)","","- Au2 Bi4 O9 -","- Au2 Bi4 O9 -","- Au16 Bi32 O72 -","8","1","","Geb, J.; Jansen, M.","Bi2 Au O5 and Bi4 Au2 O9, two novel ternary oxoaurates","Journal of Solid State Chemistry","1996","122","","364","370","10.1006/jssc.1996.0128","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514883","21.045","0.003","24.936","0.003","30.425","0.004","90","","90","","90","","15966","4","100","2","100","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C71 H116 N4 O6 Y2 -","- C71 H116 N4 O6 Y2 -","- C568 H928 N32 O48 Y16 -","8","1","","Fang, Jian; Tschan, Mathieu J.-L.; Roisnel, Thierry; Trivelli, Xavier; Gauvin, Régis M.; Thomas, Christophe M.; Maron, Laurent","Yttrium catalysts for syndioselective β-butyrolactone polymerization: on the origin of ligand-induced stereoselectivity","Polymer Chemistry","2013","4","2","360","","10.1039/c2py20590d","","x-ray","0.71073","MoKα","","0.1566","0.0712","","","0.1631","0.1876","","","","","","0.894","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1527517","17.185","","18.859","","6.774","","90","","90","","90","","2195.4","","","","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","Ca (Ni (C N)4) (H2 O)5","","- C4 H10 Ca N4 Ni O5 -","- C4 H10 Ca N4 Ni O5 -","- C32 H80 Ca8 N32 Ni8 O40 -","8","1","","Holt, E.; Watson, K.J.","The crystal structure of calcium tetracyanonickelate(II) pentahydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1969","23","","14","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1534268","7.398","","14.286","","8.437","","90","","90","","90","","891.688","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","Sr (H As O4) (H2 O)","","- As H3 O5 Sr -","- As O5 Sr -","- As8 O40 Sr8 -","8","1","","Binas, H.","Die Struktur des Sr-Haidingerits Sr H As O4 (H2 O)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1966","347","","140","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534909","7.865","","10.883","","12.956","","90","","90","","90","","1108.97","","","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","Li (N H4) (Mo O4) H2 O","","- H6 Li Mo N O5 -","- H6 Li Mo N O5 -","- H48 Li8 Mo8 N8 O40 -","8","1","","Makitova, D.D.; Tkachev, V.V.; Atovmyan, L.O.","Crystal structure of monohydrate lithiumammonium molybdate LiNH4MoO4*H2O","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","793","795","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537599","9.88","","19.82","","5.39","","90","","90","","90","","1055.48","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","Cu5 (O H)2 (Si O3)4","","- Cu5 H2 O14 Si4 -","- Cu5 O14 Si4 -","- Cu20 O56 Si16 -","4","0.5","","le Bihan, M.T.","Contribution a l'etude des silicates de cuivre. Differenciation de la shattuckite et de la plancheite. Structure atomique de la shattuckite","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","3","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538448","8.066","","8.115","","9.255","","90","","90","","90","","605.791","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","H S O3 (N H2)","","- H3 N O3 S -","- N O3 S -","- N8 O24 S8 -","8","1","","Osaki, Kenji; Tadokoro, Hiroyuki; Nitta, Isamu","Structure of Sulphamic Acid Molecule from a Three-dimensional Fourier Analysis","Bulletin of the Chemical Society of Japan","1955","28","7","524","528","10.1246/bcsj.28.524","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544678","9.88","0.02","19.82","0.04","5.4","0.01","90","","90","","90","","1057","4","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","Cu5(OH)2(SiO3)4","","shattuckite","- Cu5 H2 O14 Si4 -","- Cu5 O14 Si4 -","- Cu20 O56 Si16 -","4","0.5","","Kawahara, A.","The crystal structure of shattuckite","Mineralogical Journal","1976","8","","193","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","188707","2020-10-21","18:00:00",""
"1548192","28.9075","0.0003","29.7016","0.0002","78.032","0.0009","90","","90","","90","","66998.2","1.1","100","","100","","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -","- C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -","- C1836 H2832 Cr112 Cu8 F224 N32 Ni16 O564 -","8","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","","1.54184","CuKα","","0.1588","0.1164","","","0.3052","0.3377","","","","","","1.025","","","","has coordinates,has disorder","203528","2020-10-21","18:00:00",""
"1548348","7.232","","11.76","","17.16","","90","","90","","90","","1459.43","","100","","100","","","","","","","","","4","P c a b","-P 2bc 2ac","61","paracetamol","N-(4-hydroxyfenyl)ethanamid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana","Hydrogen positions in single nanocrystals revealed by electron diffraction","Science","2017","355","6321","166","169","10.1126/science.aak9652","","electron","0.0335","electron","","0.1845","0.0906","","","0.0931","0.0976","","","","3.73","3.73","2.63","","","","has coordinates","203860","2020-10-21","18:00:00",""
"1555929","8.75","0.0007","15.7853","0.0017","24.961","0.002","90","","90","","90","","3447.6","0.5","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C17 H16 N4 O3 S -","- C17 H16 N4 O3 S -","- C136 H128 N32 O24 S8 -","8","1","","Siva Kumari, A. Leela; Siva Reddy, Alla; Swamy, K. C. Kumara","Transition Metal-Free Cascade Cyclization of Epoxy-Ynamides: To Go for 1,3-Oxazines or 1,4-Oxazines?","Organic letters","2016","18","21","5752","5755","10.1021/acs.orglett.6b03047","","","0.71073","MoKα","","0.1546","0.0772","","","0.1831","0.2145","","","","","","1.035","","","","has coordinates","239251","2020-10-21","18:00:00",""
"1556316","8.8191","0.0006","17.5507","0.0011","20.7531","0.0013","90","","90","","90","","3212.2","0.4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C136 H136 N8 O40 -","8","1","","Ananthakrishnan, Rajakumar; Gazi, Sarifuddin","[Ru(bpy)3]2+ aided photocatalytic synthesis of 2-arylpyridines via Hantzsch reaction under visible irradiation and oxygen atmosphere","Catalysis Science & Technology","2012","2","7","1463","","10.1039/c2cy20050c","","","0.71073","MoKα","","0.0788","0.052","","","0.1416","0.1682","","","","","","1.053","","","","has coordinates","244210","2020-10-21","18:00:00",""
"1557422","8.5675","0.0009","15.971","0.002","18.875","0.004","90","","90","","90","","2582.7","0.7","","","93","","","","","","","","","5","P c a b","-P 2bc 2ac","61","[Pt(ppy)en]Cl","","","- C13 H16 Cl N3 Pt -","- C13 Cl N3 Pt -","- C104 Cl8 N24 Pt8 -","8","1","","Kvam, Per-Inge; Engebretsen, Thoralf; Maartmann-Moe, Knut; Songstad, Jon","Crystal Structures of Bu4N[Pt(ppy)Cl2], Et4N[Pt(tpy)Cl2] and [Pt(ppy)en]Cl (ppy = N,C'-Chelated 2-Phenylpyridinate, tpy = N,C'-Chelated 2-(2'-Thienyl)pyridinate, en = N,N'-Chelated 1,2-Diaminoethane).","Acta Chemica Scandinavica","1996","50","","107","113","10.3891/acta.chem.scand.50-0107","","x-ray","0.71069","MoKα","","","0.029","","","0.03","","","","","","","1.394","","","","has coordinates","248587","2020-10-21","18:00:00",""
"1559445","7.47","0.002","11.446","0.002","30.862","0.005","90","","90","","90","","2638.8","0.9","","","90","","","","","","","","","3","P c a b","-P 2bc 2ac","61","1,1,2,2-Tetracyano-3,3-dimethyl-4-(2',2'-dimethylethenyl)cyclobutane","","","- C14 H14 N4 -","- C14 H14 N4 -","- C112 H112 N32 -","8","1","","Aksnes, Dagfinn W.; Brekke, Trond; Maartmann-Moe, Knut","Structure, Conformation, and Dynamics of 1,1,2,2-Tetracyano-3,3-dimethyl-4-(2',2'-dimethylethenyl)cyclobutane as Detected by X-Ray and Multinuclear NMR Analyses","Acta Chemica Scandinavica","1991","45","","138","144","10.3891/acta.chem.scand.45-0138","","x-ray","0.71073","MoKα","","","0.0456","","","0.0332","","","","","","","1.259","","","","has coordinates","258680","2020-11-03","09:02:02",""
"1559478","12.1827","0.0003","14.8081","0.0004","18.6214","0.0004","90","","90","","90","","3359.35","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","rac-Methyl 5-(Benzoylamino)-4-ethoxy-2-methylcyclohexa-1,5-diene-1-carboxylate","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.094","0.0586","","","0.1431","0.1709","","","","","","1.046","","","","has coordinates","259008","2020-11-06","21:32:15",""
"1559481","13.6258","0.0002","15.0585","0.0003","17.0887","0.0003","90","","90","","90","","3506.33","0.11","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","N-[rel-(1S,4R,8S)-6-Acetyl-8-ethoxy-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-4-yl]benzamide","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C152 H168 N8 O40 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0595","0.0442","","","0.1092","0.1206","","","","","","1.05","","","","has coordinates","259011","2020-11-06","21:33:20",""
"1559483","13.2171","0.0002","14.2221","0.0003","17.1809","0.0004","90","","90","","90","","3229.58","0.11","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C136 H152 N8 O48 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0618","0.0471","","","0.1293","0.1429","","","","","","1.044","","","","has coordinates","259013","2020-11-06","21:34:03",""
"1561021","16.363","0.005","27.061","0.008","26.853","0.007","90","","90","","90","","11890","6","293","","293","2","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C40 H47 Ba2 Cu2 I2 Li2 N8 O16.5 -","- C40 H51 Ba2 Cu2 I2 Li2 N8 O16.5 -","- C320 H408 Ba16 Cu16 I16 Li16 N64 O132 -","8","1","","Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang","Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units","Journal of Solid State Chemistry","2018","265","","393","401","10.1016/j.jssc.2018.06.026","","","0.71075","MoKα","","0.094","0.0736","","","0.1626","0.1812","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","263043","2021-03-15","09:10:46",""
"1561505","6.6018","0.0006","24.829","0.005","6.217","0.0006","90","","90","","90","","1019.1","0.2","293","","293","","","","","","","","","5","P c a b","-P 2bc 2ac","61","p-xylylenediamine zinc sulphide","p-xylylenediamine zinc sulphide","","- C8 H12 N2 S2 Zn2 -","- C8 H12 N2 S2 Zn2 -","- C32 H48 N8 S8 Zn8 -","4","0.5","","Luberda-Durnaś, K.; Guillén, A. González; Łasocha, W.","Synthesis optimisation and characterisation of the organic-inorganic layered materials ZnS(m-xylylenediamine)1/2 and ZnS(p-xylylenediamine)1/2","Journal of Solid State Chemistry","2016","238","","162","169","10.1016/j.jssc.2016.03.022","powder diffraction","x-ray","1.5418","CuKα","","0.0195","0.0195","","0.0306","0.0306","","","","3.12","","","","","","","has coordinates","263904","2021-04-06","09:23:30",""
"1564507","10.3365","0.0011","12.0055","0.0013","39.117","0.004","90","","90","","90","","4854.2","0.9","273","2","273.15","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C26 H22 N8 O2 Zn -","- C26 H22 N8 O2 Zn -","- C208 H176 N64 O16 Zn8 -","8","1","","Santiago, Pedro H.O.; Santiago, Mariana B.; Martins, Carlos H.G.; Gatto, Claudia C.","Copper(II) and zinc(II) complexes with Hydrazone: Synthesis, crystal structure, Hirshfeld surface and antibacterial activity","Inorganica Chimica Acta","2020","508","","119632","","10.1016/j.ica.2020.119632","","","0.71073","MoKα","","0.111","0.0523","","","0.1025","0.1275","","","","","","1.027","","","","has coordinates","268348","2021-09-01","08:33:28",""
"2000410","6.5779","0.0015","15.565","0.0013","19.217","0.002","90","","90","","90","","1967.5","0.5","293","","293","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","Bis(5-chloro-2-hydroxy-1,3-xylyl)-18-crown-4","","- C20 H22 Cl2 O6 -","- C20 H22 Cl2 O6 -","- C80 H88 Cl8 O24 -","4","0.5","LI1019","Ferguson, G.; Ruhl, B. L.; McKervey, M. A.; Browne, C. M.","Bis(5-chloro-2-hydroxy-1,3-xylyl)-18-crown-4","Acta Crystallographica Section C","1992","48","12","2262","2264","10.1107/S0108270192007832","","","0.7093","MolybdenumKα","","","0.0427","","","0.0373","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000755","13.602","0.001","14.477","0.002","6.969","0.001","90","","90","","90","","1372.3","0.3","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","2,4-dioxido-1,2,3,4-benzotetrazine-2,4-diium","","- C6 H4 N4 O2 -","- C6 H4 N4 O2 -","- C48 H32 N32 O16 -","8","1","AS0556","Yamaguchi, K.; Takahashi, H.; Kaihoh, T.; Itoh, T.; Okada, M.; Nagata, K.; Matsumura, G.; Ohsawa, A.","Structure of benzo-1,2,3,4-tetrazine 1,3-dioxide","Acta Crystallographica Section C","1992","48","7","1237","1239","10.1107/S0108270191013781","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","205890","2020-10-21","18:00:00",""
"2001234","10.974","0.002","11.892","0.001","19.952","0.003","90","","90","","90","","2603.8","0.7","293","","293","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","6-tert-butyl-3,3-dimethyl-3H-indol-1-oxide","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","1","SH1054","De Ridder, D. J. A.; Schenk, H.; Döpp, D.","Structure of 6-<i>tert</i>-butyl-3,3-dimethyl-3<i>H</i>-indolium-1-oxide","Acta Crystallographica Section C","1993","49","11","1971","1973","10.1107/S0108270193004925","","","1.5418","CopperKα","","0.082","0.082","","0.135","0.135","","","","0.525","0.525","0.525","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001290","14.506","0.002","14.823","0.002","19.243","0.002","90","","90","","90","","4137.7","0.9","298","3","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C10 H29 Cl2 Cu N5 O9 -","- C10 H29 Cl2 Cu N5 O9 -","- C80 H232 Cl16 Cu8 N40 O72 -","8","1","AS1026","Lu, T.-H.; Tahirov, T. H.; Bin, C.-K.; Hsiao, C.-D.; Liu, Y.-L.; Lee, J.-C.; Chung, C.-S.","Structure of (2,5,8,11,14-pentaazapentadecane)copper(II) diperchlorate monohydrate","Acta Crystallographica Section C","1993","49","10","1747","1749","10.1107/S010827019300280X","","","1.54178","CuKα","","","0.048","","","0.049","","","","","10.44","10.44","","","","","has coordinates,has disorder","205962","2020-10-21","18:00:00",""
"2001538","11.7","0.001","10.878","0.001","12.892","0.001","90","","90","","90","","1640.8","0.2","293","","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C11 H24 Cl2 Cr N5 S -","- C11 H24 Cl2 Cr N5 S -","- C44 H96 Cl8 Cr4 N20 S4 -","4","0.5","LI1031","Bouckaert, J.; Maes, D.; Lisgarten, J. N.; Chattopadhyay, T. K.; Palmer, R. A.; Mazid, M. A.; Gazi, D. M.","Structures of chromium(III) cyclam complexes. 5. Structure of <i>trans</i>-dichloro(1,4,8,11-tetraazacyclotetradecane)chromium(III) isothiocyanate","Acta Crystallographica Section C","1993","49","7","1361","1363","10.1107/S010827019300054X","","","0.71069","MoKα","","","0.036","","","0.036","","","","","","","","","","","has coordinates,has disorder","205962","2020-10-21","18:00:00",""
"2001826","7.7305","0.0007","16.723","0.0015","26.668","0.003","90","","90","","90","","3447.6","0.6","293","","293","","","","","","","","","3","P c a b","-P 2bc 2ac","61","Tribenzylmethanol","Tribenzylmethanol","","- C22 H22 O -","- C22 H24 O -","- C176 H192 O8 -","8","1","LI1032","Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Liles, D. C.; Zakaria, C. M.","Structures of tribenzylmethanol and 1,2,3-triphenyl-2-propanol","Acta Crystallographica Section C","1993","49","4","820","824","10.1107/S0108270192011545","","","0.7093","MolybdenumKα","","0.106","0.032","","0.044","0.036","","","","","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001927","8.69","0.001","12.134","0.003","16.267","0.003","90","","90","","90","","1715.3","0.6","298","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C56 H96 N16 O16 -","8","1","VS0102","Streltsova, N. R.; Bel'sky, V. K.; Voloshin, Y. Z.","Structures of three alicyclic α-dioximes with a ring size of six to eight","Acta Crystallographica Section C","1993","49","3","635","639","10.1107/S0108270192011144","","","0.71069","MoKα","","","0.032","","","0.037","","","","","2.43","2.43","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2003045","17.466","0.002","20.537","0.002","11.749","0.002","90","","90","","90","","4214.4","1","293","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","4'-chloroformyl-2,4,6-triisopropylbenzophenone","","- C23 H27 Cl O2 -","- C23 H27 Cl0.735 O2.562 -","- C184 H216 Cl5.88 O20.496 -","8","1","OA0012","Fukushima, S.; Ito, Y.; Hosomi, H.; Ohba, S.","Structures and Photoreactivities of 2,4,6-Triisopropylbenzophenones","Acta Crystallographica Section B","1998","54","6","895","906","10.1107/S0108768198005515","","","0.71073","MoKα","","","0.076","","","0.069","","","","","1.4","1.4","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2003713","9.973","0.001","17.101","0.002","25.496","0.003","90","","90","","90","","4348.3","0.8","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","5","P c a b","-P 2bc 2ac","61","","4-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)- 1-methylpiperidinium hydrogen malate","","- C23 H27 N O5 S -","- C27 H32 N O10 S -","- C216 H256 N8 O80 S8 -","8","1","NA1139","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","4-(9,10-Dihydro-4<i>H</i>-benzo[4,5]cyclohepta[1,2-<i>b</i>]thien-4-ylidene)-1-methylpiperidinium Hydrogen Malate","Acta Crystallographica Section C","1995","51","7","1435","1438","10.1107/S0108270194015088","","","1.54184","CuKα","","0.1952","0.0561","","0.1411","0.0909","","","","1.136","1.415","1.415","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2003720","9.8098","0.0005","16.5788","0.001","19.1759","0.0008","90","","90","","90","","3118.7","0.3","293","2","293","2","","","","","","","Laboratory of Medicinal Chemistry, Li\`ege","3","P c a b","-P 2bc 2ac","61","","11-(4-methylpiperazin-1-yl)-5H-pyrido[4,3-b][1,5]benzodiazepine","","- C17 H19 N5 -","- C17 H19 N5 -","- C136 H152 N40 -","8","1","PA1158","Dupont, L.; Liégeois, J.-F.; Rogister, F.; Delarge, J.","11-(4-Methylpiperazin-1-yl)-5<i>H</i>-pyrido[4,3-<i>b</i>][1,5]benzodiazepine","Acta Crystallographica Section C","1995","51","7","1379","1381","10.1107/S0108270194014459","","","1.5418","CuKα","","0.0534","0.037","","0.1154","0.1027","","","","1.095","1.224","1.224","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003783","12.962","0.002","13.4604","0.0008","22.2464","0.0015","90","","90","","90","","3881.4","0.7","298","2","298","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1(R)-methyl-4(1'(R)-benzoyloxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C176 H192 N16 O16 -","8","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.046","0.0345","","0.0992","0.0938","","","","1.069","1.118","1.118","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003963","10.881","0.002","19.772","0.003","21.563","0.003","90","","90","","90","","4639","1.3","298","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C48 H48 Cu2 N4 O10 -","- C24 H24 Cu N2 O5 -","- C192 H192 Cu8 N16 O40 -","8","1","AB1221","Hökelek, T.; Necefouglu, H.; Balcı, M.","Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>')dicopper(II)","Acta Crystallographica Section C","1995","51","10","2020","2023","10.1107/S0108270195000618","","","0.71069","MoKα","","","0.0453","","","0.0486","","","","","0.36","0.36","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004447","18.992","0.007","10.595","0.003","11.875","0.005","90","","90","","90","","2389.5","1.5","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","(1RS,2RS,6SR,7SR,8RS)8-methyl-3-oxatricyclo[6.4.0.0^2,7^]dodeca-1,6,7-triol","","- C12 H20 O4 -","- C12 H20 O4 -","- C96 H160 O32 -","8","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54178","CuKα","","0.1213","0.1071","","0.2212","0.21","","","","1.244","1.265","1.265","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004671","7.133","0.001","13.206","0.001","20.355","0.005","90","","90","","90","","1917.4","0.6","294","1","294","1","","","","","","","","4","P c a b","-P 2bc 2ac","61","","N,N-Dimethyl-2,4-dinitroaniline","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C64 H72 N24 O32 -","8","1","AB1321","Low, J. N.; Doidge-Harrison, S. M. S. V.; Cobo, J.","<i>N</i>,<i>N</i>-Dimethyl-2,4-dinitroaniline","Acta Crystallographica Section C","1996","52","4","964","966","10.1107/S0108270195014612","","","0.7107","MolybdenumKα","","0.1113","0.0464","","0.1099","0.0986","","","","0.799","1.146","1.146","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004883","12.049","0.003","17.018","0.003","17.071","0.003","90","","90","","90","","3500.4","1.2","293","","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C10 H31 Br2 Cr N4 O3 -","- C10 H30 Br2 Cr N4 O3 -","- C80 H240 Br16 Cr8 N32 O24 -","8","1","HU1105","Palmer, R. A.; Potter, B. S.; Tanriverdi, S.; Lisgarten, J. N.; Flint, C. D.; Gazi, D. M.","Structures of Chromium(III) Cyclam Complexes. 6. <i>trans</i>-Aquahydroxy(1,4,8,11-tetraazacyclotetradecane)chromium(III) Dibromide Hydrate","Acta Crystallographica Section C","1996","52","5","1177","1180","10.1107/S0108270195012996","","","1.54178","CuKα","","","0.0629","","","0.1485","","","","","1.063","1.063","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006002","7.921","0.013","11.786","0.026","14.714","0.01","90","","90","","90","","1374","4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1,4 butane diammonium malonate","","- C10 H20 N2 O8 -","- C10 H20 N2 O8 -","- C40 H80 N8 O32 -","4","0.5","KH1123","Babu, A. M.; Weakley, T. J. R.; Murthy, M. R. N.","Extended Conformation of Putrescine Occurring on a Center of Symmetry in its 1:2 Complex with Malonic Acid","Acta Crystallographica Section C","1997","53","3","365","367","10.1107/S010827019601342X","","","0.71073","MoKα","","0.0453","0.0445","","0.1199","0.1185","","","","0.556","0.561","0.561","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006525","38.846","0.002","7.434","0.001","7.367","0.001","90","","90","","90","","2127.5","0.4","293","","293","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","bis-(β-phenylethylammonium) tetrachlorocadmate","","- C16 H24 Cd Cl4 N2 -","- C16 H24 Cd Cl4 N2 -","- C64 H96 Cd4 Cl16 N8 -","4","0.5","NA1289","Monika Groh; Spengler, Roland; Burzlaff, Hans; Zouari, Fatma; Ben Salah, Abdelhamid","(C~6~H~5~CH~2~CH~2~NH~3~)~2~[CdCl~4~]","Acta Crystallographica Section C","1997","53","9","1199","1201","10.1107/S0108270197005726","","","0.70926","MoKα~1~","","","","","","0.039","","","","","0.95","0.95","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006897","13.716","0.001","14.969","0.003","15.925","0.001","90","","90","","90","","3269.6","0.7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","Chloro (1,4,7,11-tetraazacyclotetradecane-N,N',N'',N''') Zinc(II) Perchlorate","","- C10 H24 Cl2 N4 O4 Zn -","- C10 H24 Cl2 N4 O4 Zn -","- C80 H192 Cl16 N32 O32 Zn8 -","8","1","VJ1073","Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun","Chloro(1,4,7,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc(II) Perchlorate","Acta Crystallographica Section C","1997","53","12","1780","1782","10.1107/S010827019701192X","","","0.7107","MoKα","","0.09","0.054","","0.143","0.137","","","","0.936","1.114","1.114","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006986","13.705","0.002","32.939","0.004","11.6224","0.0013","90","","90","","90","","5246.7","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","bis(dimethylamine)-trichloro-tris(tert-butyloxy)-ditungsten","","- C16 H41 Cl3 N2 O3 W2 -","- C16 H41 Cl3 N2 O3 W2 -","- C128 H328 Cl24 N16 O24 W16 -","8","1","BK1344","Malcolm H. Chisholm; Kirsten Folting; De-Dong Wu","A Dinuclear Tungsten(III) Complex Containing a Tungsten‒Tungsten Triple Bond with an Asymmetric Arrangement of Ligands: [W~2~Cl~3~(OCMe~3~)~3~(NHMe~2~)~2~]","Acta Crystallographica Section C","1998","54","2","225","227","10.1107/S010827019700872X","","","0.71069","MoKα","","0.059","0.039","","0.094","0.0844","","","","1.14","1.19","1.19","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2009491","14.81","0.005","15.61","0.004","19.757","0.006","90","","90","","90","","4568","2","293","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C26 H19 Cl2 Co N3 -","- C26 H19 Cl2 Co N3 -","- C208 H152 Cl16 Co8 N24 -","8","1","PA1052","Viossat, B.; Nguyen-Huy, Dung; Lehuede, J.; Vierfond, J.M.","Dichloro(2,5-diphényl-3,4-di-2-pyridyl-1<i>H</i>-pyrrole-<i>N</i>,<i>N</i>')cobalt(II)","Acta Crystallographica Section C","1994","50","2","211","214","10.1107/S0108270193007309","","","0.7107","MoKα","","","0.048","","","0.052","","","","","1.1","1.1","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2009505","8.952","0.005","21.979","0.004","15.709","0.003","90","","90","","90","","3090.8","1.9","293","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C144 H120 N8 O24 S8 -","8","1","AB1076","Hökelek, T.; Patir, S.; Gülce, A.; Okay, G.","Structural investigations of 1,2,3,4-tetrahydrocarbazole derivatives. I. 2,3-Dihydro-9-(phenylsulfonyl)carbazole-4(1<i>H</i>)-one and 1,2,3,4-tetrahydrocarbazole-1-spiro-2'-[1,3]dithiolane","Acta Crystallographica Section C","1994","50","3","450","453","10.1107/S0108270193007516","","","0.71069","MoKα","","","0.033","","","0.032","","","","","","","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2009541","17.108","0.004","14.229","0.004","14.485","0.009","90","","90","","90","","3526","3","298","","","","","","","","","","","5","P c a b","-P 2ab 2ac","","","","","- C10 H5 O9 Os3 P -","- C10 O9 Os3 P -","- C80 O72 Os24 P8 -","8","1","HU1044","Blake, A.J.; Ebsworth, E.A.V.; McIntosh, A.P.; Schröder, M.","A series of osmium carbonyl complexes with related terminal, bridging and capping phosphorus ligands","Acta Crystallographica Section C","1994","50","3","371","375","10.1107/S010827019300767X","","","0.71073","MoKα","","","0.043","","","0.0526","","","","","1.076","1.076","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009583","14.599","0.001","14.919","0.004","18.756","0.003","90","","90","","90","","4085.1","1.3","298","3","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C11 H29 Cl2 Cu N5 O8 -","- C11 H29 Cl2 Cu N5 O8 -","- C88 H232 Cl16 Cu8 N40 O64 -","8","1","AS1059","Tahirov, T.H.; Lu, T.-H.; Liu, Y.-L.; Chung, C.-S.","[(2<i>RS</i>,5<i>SR</i>,8<i>SR</i>,12<i>SR</i>,15<i>SR</i>)-2,5,8,12,15-Pentaazahexadecane-κ^5^<i>N</i>^2,5,8,12,15^]copper(II) diperchlorate","Acta Crystallographica Section C","1994","50","4","514","516","10.1107/S0108270193009783","","","0.7107","MoKα","","","0.062","","","0.058","","","","","0.95","0.95","","","","","has coordinates,has disorder","205962","2020-10-21","18:00:00",""
"2009640","7.724","0.001","10.513","0.001","16.034","0.003","90","","90","","90","","1302","0.3","293","","293","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","2,5-dimethyl-4-nitroimidazole","","- C5 H7 N3 O2 -","- C5 H7 N3 O2 -","- C40 H56 N24 O16 -","8","1","NA1064","Olszak, Tomasz A.; Peeters, O.M.; Blaton, N.M.; De Ranter, C.J.","2,5-Dimethyl-4-nitroimidazole","Acta Crystallographica Section C","1994","50","4","558","559","10.1107/S0108270193010649","","","0.71069","MoKα","","","0.0377","","","0.0349","","","","","0.7693","0.7693","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009699","15.93","0.001","10.86","0.002","11.135","0.004","90","","90","","90","","1926.4","0.8","295","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C80 H88 N8 O24 -","8","1","HU1017","Feeder, N.; Jones, W.","3-(Benzoylamino)propanoic acid and 6-[(4-nitrobenzoyl)amino]hexanoic acid","Acta Crystallographica Section C","1994","50","5","813","816","10.1107/S010827019301087X","","","0.71069","MoKα","","","0.05","","","0.05","","","","","1.001","1.001","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2009702","24.22","0.009","9.675","0.006","10.094","0.006","90","","90","","90","","2365","2","295","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C12 H15 N O3 -","- C12 H14 N O3 -","- C96 H112 N8 O24 -","8","1","HU1018","Feeder, N.; Jones, W.","6-Oxo-6-(phenylamino)hexanoic acid [two polymorphic forms, (I) and (II)] and 4-oxo-4-(<i>N</i>-methylphenylamino)butanoic acid (III)","Acta Crystallographica Section C","1994","50","5","816","820","10.1107/S0108270193010881","","","0.71069","MoKα","","","0.078","","","0.078","","","","","0.922","0.922","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2009874","10.971","0.002","15.562","0.002","16.459","0.003","90","","90","","90","","2810.1","0.8","294","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C12 H36 Br6 P4 Rh2 -","- C12 H36 Br6 P4 Rh2 -","- C48 H144 Br24 P16 Rh8 -","4","0.5","HU1014","Boyd, S.E.; Field, L.D.; Hambley, T.W.","Di-μ-bromo-tetrabromotetrakis(trimethylphosphine)dirhodium(III)","Acta Crystallographica Section C","1994","50","7","1019","1020","10.1107/S010827019201271X","","","0.7107","MoKα","","","0.056","","","0.063","","","","","1.48","1.48","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2010097","10.281","0.002","13.844","0.003","17.064","0.005","90","","90","","90","","2428.7","1","293","","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C H7 Al3 N O13 P3 -","- C H7 Al3 N O13 P3 -","- C8 H56 Al24 N8 O104 P24 -","8","1","DU1073","Chippindale, A.M.; Powell, A.V.; Jones, R.H.; Thomas, J.M.; Cheetham, A.K.; Huo, Q.; Xu, R.","A three-dimensional framework aluminophosphate (CH~3~NH~3~)^+^[Al~3~P~3~O~13~H]^{-^}","Acta Crystallographica Section C","1994","50","10","1537","1540","10.1107/S0108270194003537","","","0.71073","MoKα","","","0.0476","","","0.0456","","","","","1.38","1.38","","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2013713","11.619","0.001","14.109","0.003","23.517","0.003","90","","90","","90","","3855.2","1","296","2","296","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","cis-chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)","","- C11 H27 Cl5 Co N5 Zn -","- C11 H27 Cl5 Co N5 Zn -","- C88 H216 Cl40 Co8 N40 Zn8 -","8","1","TA1423","Bernhardt, Paul V.; Macpherson, Brendan P.","Geometric isomers of chloro(6-methyl-1,4,8,11-tetraazacyclotetradecane-6-amine)cobalt(III) tetrachlorozincate(II)","Acta Crystallographica Section C","2003","59","11","m467","m470","10.1107/S0108270103021711","","","0.71073","MoKα","","0.029","0.022","","","0.054","0.056","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019273","11.9153","0.0003","6.7482","0.0004","13.6052","0.0005","90","","90","","90","","1093.95","0.08","230","","230","","","","","","","","","4","P c a b","-P 2bc 2ac","61","magnesium chloride octahydrate","Magnesium dichloride octahydrate","","- Cl2 H16 Mg O8 -","- Cl2 H16 Mg O8 -","- Cl8 H64 Mg4 O32 -","4","0.5","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0373","0.025","","","0.0508","0.0547","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020128","9.6852","0.0002","10.7589","0.0003","23.7261","0.0008","90","","90","","90","","2472.31","0.12","173","2","173","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","(±)-2-Chloro-<i>N</i>-[(1<i>RS</i>,2<i>RS</i>,4<i>RS</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]acetamide","","- C12 H20 Cl N O -","- C12 H20 Cl N O -","- C96 H160 Cl8 N8 O8 -","8","1","","Stepanovs, Dmitrijs; Posevins, Daniels; Turks, Maris","Crystal structures of two (±)-exo-N-isobornylacetamides","Acta Crystallographica Section E Crystallographic Communications","2015","71","10","1117","","10.1107/S2056989015015984","","","0.71073","MoKα","","0.1575","0.0726","","","0.1335","0.1596","","","","","","1.021","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2021442","7.2637","0.0002","17.7011","0.0005","24.3144","0.0005","90","","90","","90","","3126.24","0.14","150","2","150","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","Poly[2-amino-3-carboxypyrazin-1-ium [(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)di-μ-chlorido-cadmium(II)] monohydrate]","","- C10 H12 Cd Cl2 N6 O5 -","- C10 H12 Cd Cl2 N6 O5 -","- C80 H96 Cd8 Cl16 N48 O40 -","8","1","FP3058","Bouchene, Rafika; Bouacida, Sofiane","Syntheses, supramolecular networks and Hirshfeld surface and thermal analyses of two new cadmium chloride coordination polymers with an <i>N</i>,<i>O</i>-chelating ligand","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229618018132","","x-ray","0.71073","MoKα","","0.0342","0.0285","","","0.0781","0.082","","","","","","0.919","","","","has coordinates,has Fobs","213222","2020-10-21","18:00:00",""
"2100977","29.617","0.009","13.185","0.003","9.013","0.002","90","","90","","90","","3519.6","1.5","","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C5 H7 N3 O6 S -","- C5 H7 N3 O6 S -","- C80 H112 N48 O96 S16 -","16","2","PA0284","Pecaut, J.; Le Fur, Y.; Masse, R.","Crystal engineering and structural investigations of the 2-amino-5-nitropyridinium salts C~5~H~6~N~3~O~2~^+^.HSO~4~^{-^} and C~5~H~6~N~3~O~2~^+^.H~2~AsO~4~^{-^}","Acta Crystallographica Section B","1993","49","3","535","541","10.1107/S0108768192011431","","","0.5608","Ag","","","","","","","","","","","","","","","","","has coordinates","205962","2020-10-21","18:00:00",""
"2200252","15.4466","0.0007","16.6228","0.0008","13.5016","0.0006","90","","90","","90","","3466.7","0.3","297","2","297","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","tris(acetylacetonato)-vanadium(III) (alpha form)","Tris(2,4-pentanedionato-O,O')-vanadium(III) (alpha form)","","- C15 H21 O6 V -","- C15 H21 O6 V -","- C120 H168 O48 V8 -","8","1","YA6013","Filgueiras, Carlos A. L.; Horn Jr, Adolfo; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","α-Form of tris(2,4-pentanedionato-<i>O</i>,<i>O</i>')vanadium(III), re-refinement against new intensity data","Acta Crystallographica Section E","2001","57","4","m157","m158","10.1107/S1600536801004391","","","0.71073","MoKα","","0.126","0.044","","","","0.139","","","","","","0.94","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203823","7.494","0.0012","13.915","0.0011","18.377","0.0013","90","","90","","90","","1916.3","0.4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","2-[2-(cyanomethoxy)phenoxy]acetonitrile","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C80 H64 N16 O16 -","8","1","WN6235","Ustabaş, Reşat; Çoruh, Ufuk; Sancak, Kemal; Er, Mustafa; Ünver, Yasemin; Yavuz, Metin","2-[2-(Cyanomethoxy)phenoxy]acetonitrile","Acta Crystallographica Section E","2004","60","6","o968","o970","10.1107/S1600536804010785","","","0.71073","MoKα","","0.1197","0.0479","","","0.0909","0.1068","","","","","","0.729","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205038","10.8731","0.0009","18.7861","0.0014","20.5836","0.0019","90","","90","","90","","4204.5","0.6","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","4-Benzoyl-1,5-diphenyl-1H-pyrazole-3-carboxylic acid methanol solvate","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C192 H160 N16 O32 -","8","1","CV6438","Yıldırım, İsmail; Özdemir, Namık; Akçamur, Yunus; Dinçer, Muharrem; Andaç, Ömer","4-Benzoyl-1,5-diphenyl-1<i>H</i>-pyrazole-3-carboxylic acid methanol solvate","Acta Crystallographica Section E","2005","61","2","o256","o258","10.1107/S1600536804034348","","","0.71073","MoKα","","0.1046","0.043","","","0.0738","0.0792","","","","","","1","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206212","7.4651","0.0015","13.0034","0.0016","15.9759","0.0018","90","","90","","90","","1550.8","0.4","296","2","296","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","2,5-dibenzoyl-1,4-phenylenediamine","2,5-dibenzoyl-1,4-phenylenediamine","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","0.5","HK6017","Zhu, Hong-Jun; Wang, Dan-Dan; Song, Guang-Liang; Wang, Jin-Tang; Wang, Ke-Le","2,5-Dibenzoyl-1,4-phenylenediamine","Acta Crystallographica Section E","2005","61","7","o2209","o2210","10.1107/S1600536805019112","","","0.71073","MoKα","","0.147","0.0543","","","0.1202","0.1509","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207747","7.508","0.006","16.493","0.009","27.952","0.009","90","","90","","90","","3461","4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1,3-Bis(4-methoxyphenyl)-2-benzothiophene","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C176 H144 O16 S8 -","8","1","CI6716","K. Palani; P. Amaladass; A. K. Mohanakrishnan; M. N. Ponnuswamy","1,3-Bis(4-methoxyphenyl)-2-benzothiophene","Acta Crystallographica Section E","2006","62","1","o49","o51","10.1107/S1600536805039589","","","0.71073","MoKα","","0.0955","0.058","","","0.1716","0.2351","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209068","8.0836","0.001","27.952","0.004","30.483","0.003","90","","90","","90","","6887.7","1.5","296","2","296","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","3-(4-Chlorophenyldiazenyl)-1-methyl-2-phenyl-1H-indole","","- C21 H16 Cl N3 -","- C21 H16 Cl N3 -","- C336 H256 Cl16 N48 -","16","2","AT2026","Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Ertan, Nermin","3-(4-Chlorophenyldiazenyl)-1-methyl-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section E","2006","62","6","o2108","o2110","10.1107/S1600536806012542","","","0.71073","MoKα","","0.1691","0.1078","","","0.1817","0.2054","","","","","","1.177","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2211383","8.665","0.005","17.392","0.005","18.812","0.005","90","","90","","90","","2835","2","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","catena-Poly[[[diaquacadmium(II)]-μ-2,2'-bipyridine-6,6'-dicarboxylato] dihydrate]","","- C12 H10 Cd N2 O8 -","- C12 H10 Cd N2 O8 -","- C96 H80 Cd8 N16 O64 -","8","1","FI2017","Knight, James; Amoroso, Angelo; Edwards, Peter; Ooi, Li-Ling","<i>catena</i>-Poly[[[diaquacadmium(II)]-μ-2,2'-bipyridine-6,6'-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2006","62","12","m3306","m3308","10.1107/S1600536806046423","","","0.71069","MoKα","","0.081","0.05","","","0.1183","0.1313","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214292","15.3277","0.0006","16.3989","0.0006","24.8735","0.001","90","","90","","90","","6252.1","0.4","299","2","299","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","{[N,N'-Bis(4-methoxybenzyl)ethane-1,2-diyldiimino]diacetato- κ^4^O,N,N',O'}bis(1H-imidazole-κN^3^)zinc(II)","","- C28 H34 N6 O6 Zn -","- C28 H34 N6 O6 Zn -","- C224 H272 N48 O48 Zn8 -","8","1","LH2393","Min Zhang; Hui-Li Weng; Bo Hu; Xing-Man Xu","{[<i>N</i>,<i>N</i>'-Bis(4-methoxybenzyl)ethane-1,2-diyldiimino]diacetato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)","Acta Crystallographica Section E","2007","63","7","m1797","m1797","10.1107/S1600536807026037","","","0.71073","MoKα","","0.0977","0.0541","","","0.136","0.147","","","","","","0.859","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214523","15.7646","0.0008","16.3172","0.0008","24.7351","0.0012","90","","90","","90","","6362.7","0.5","292","2","292","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","{[N,N'-Bis(4-methoxybenzyl)ethane-1,2-diyldiimino]diacetato}bis(1H- imidazole-kN^3^)cadmium(II) dihydrate","","- C28 H38 Cd N6 O8 -","- C28 H38 Cd N6 O8 -","- C224 H304 Cd8 N48 O64 -","8","1","BQ2024","Min Zhang; She-Min Lan; Hui-Li Weng; Xing-Man Xu","{[<i>N</i>,<i>N</i>'-Bis(4-methoxybenzyl)ethane-1,2-diyldiimino]diacetato}bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cadmium(II) dihydrate","Acta Crystallographica Section E","2007","63","8","m2045","m2045","10.1107/S1600536807031200","","","0.71073","MoKα","","0.0911","0.0589","","","0.1598","0.1786","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217089","7.853","0.0015","10.448","0.002","13.438","0.003","90","","90","","90","","1102.6","0.4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","sodium iron(III) bis[trioxotellurate(IV)]","","- Fe Na O6 Te2 -","- Fe Na O6 Te2 -","- Fe8 Na8 O48 Te16 -","8","1","HB2673","Weil, Matthias; Stöger, Berthold","NaFe(TeO~3~)~2~","Acta Crystallographica Section E","2008","64","1","i3","i3","10.1107/S1600536807065403","","","0.71073","MoKα","","0.0374","0.027","","","0.057","0.0613","","","","","","1.028","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2232694","8.809","0.0002","19.9017","0.0004","20.9053","0.0005","90","","90","","90","","3664.99","0.14","295","2","295","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","<i>catena</i>-Poly[[[(pyridine-κ<i>N</i>)copper(II)]-μ- 3-{1-[(2-aminoethyl)imino]ethyl}-6-methyl-2-oxo-2<i>H</i>-pyran-4-olato- κ^4^<i>N</i>,<i>N</i>,<i>O</i>^4^:<i>O</i>^2^] perchlorate]","","- C15 H18 Cl Cu N3 O7 -","- C15 H18 Cl Cu N3 O7 -","- C120 H144 Cl8 Cu8 N24 O56 -","8","1","GO2033","Ourari, Ali; Derafa, Wassila; Bouacida, Sofiane; Aggoun, Djouhra","<i>catena</i>-Poly[[[(pyridine-κ<i>N</i>)copper(II)]-μ-3-{1-[(2-aminoethyl)imino]ethyl}-6-methyl-2-oxo-2<i>H</i>-pyran-4-olato-κ^4^<i>N</i>,<i>N</i>,<i>O</i>^4^:<i>O</i>^2^] perchlorate]","Acta Crystallographica Section E","2011","67","12","m1720","m1721","10.1107/S1600536811046411","","","0.71073","MoKα","","0.0652","0.0403","","","0.1052","0.1211","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234910","15.9798","0.0005","19.2968","0.0006","27.4387","0.0009","90","","90","","90","","8461","0.5","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","Tris(2-{[2-(4-methoxyphenyl)ethyl]iminomethyl}phenolato- κ^2^<i>N</i>,<i>O</i>^1^)cobalt(III)","","- C48 H48 Co N3 O6 -","- C48 H48 Co N3 O6 -","- C384 H384 Co8 N24 O48 -","8","1","BQ2360","Ourari, Ali; Ouennoughi, Yasmina; Bouacida, Sofiane","Tris(2-{[2-(4-methoxyphenyl)ethyl]iminomethyl}phenolato-κ^2^<i>N</i>,<i>O</i>^1^)cobalt(III)","Acta Crystallographica Section E","2012","68","6","m803","m804","10.1107/S1600536812023033","","","0.71073","MoKα","","0.1041","0.0558","","","0.1073","0.1247","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237060","8.344","0.0002","12.5214","0.0003","13.3871","0.0002","90","","90","","90","","1398.66","0.05","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","Di-μ-hydroxido-bis[dimethyl(thiocyanato-κ<i>N</i>)tin(IV)]","","- C6 H14 N2 O2 S2 Sn2 -","- C6 H14 N2 O2 S2 Sn2 -","- C24 H56 N8 O8 S8 Sn8 -","4","0.5","WM2689","Sow, Yaya; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabriele","Di-μ-hydroxido-bis[dimethyl(thiocyanato-κ<i>N</i>)tin(IV)]","Acta Crystallographica Section E","2012","68","12","m1436","","10.1107/S1600536812043462","","","0.71073","MoKα","","0.0376","0.0257","","","0.0528","0.0562","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240120","6.0014","0.0004","13.9015","0.0016","28.867","0.003","90","","90","","90","","2408.3","0.4","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","<i>N</i>-[(<i>E</i>)-(1,3-Benzodioxol-5-yl)methylidene]-4-chloroaniline","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","1","HB7302","García-Merinos, J. Pablo; López, Yliana; González-Campos, J. Betzabe; Aviña-Verduzco, Judit A.; Río, Rosa E. del; Santillan, Rosa","Crystal structure of <i>N</i>-[(<i>E</i>)-(1,3-benzodioxol-5-yl)methylidene]-4-chloroaniline","Acta Crystallographica Section E","2014","70","11","o1195","o1196","10.1107/S1600536814022892","","","0.71073","MoKα","","0.201","0.0581","","","0.0933","0.1208","","","","","","0.883","","","","has coordinates,has disorder,has Fobs","194623","2020-10-21","18:00:00",""
"2242357","11.6347","0.0007","16.5121","0.0009","24.5577","0.0017","90","","90","","90","","4717.9","0.5","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","Triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato-κ^2^<i>O</i>,<i>O</i>')cerium(III)","","- C15 H18 Ce F9 O9 -","- C15 H18 Ce F9 O9 -","- C120 H144 Ce8 F72 O72 -","8","1","VN2133","Koizumi, Atsuya; Hasegawa, Takuya; Itadani, Atsushi; Toda, Kenji; Zhu, Taoyun; Sato, Mineo","Structure of triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato)cerium(III) as a possible fluorescent compound","Acta Crystallographica Section E","2018","74","2","229","232","10.1107/S2056989018001135","","","0.71073","MoKα","","0.0483","0.0357","","","0.0869","0.0922","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","205878","2020-10-21","18:00:00",""
"2310460","6.31","","7.08","","6.19","","90","","90","","90","","276.537","","","","","","","","","","","","","2","P c a b","-P 2bc 2ac","61","","N C C N","","- C2 N2 -","- C2 N2 -","- C8 N8 -","4","0.5","","Parkes, A.S.; Hughes, R.E.","The crystal structure of cyanogen","Acta Crystallographica (1,1948-23,1967)","1963","16","","734","736","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310700","6.21","","11.72","","6.05","","90","","90","","90","","440.326","","","","","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","Na (O H) (H2 O)","","- H3 Na O2 -","- Na O2 -","- Na8 O16 -","8","1","","Wunderlich, J.A.","Structures cristallines des hydrates de la soude. III. La structure cristalline de Na O H H2 O","Acta Crystallographica (1,1948-23,1967)","1957","10","","462","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311677","5.183","0.0006","16.808","0.007","27.247","0.003","90","","90","","90","","2373.6","1.1","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C11 H13 Cl N2 O2 -","- C11 H13 Cl N2 O2 -","- C88 H104 Cl8 N16 O16 -","8","1","LO5002","Carletta, Andrea; Tilborg, Anaëlle; Moineaux, Laurence; de Ruyck, Jérôme; Basile, Livia; Salerno, Loredana; Romeo, Giuseppe; Wouters, Johan; Guccione, Salvatore","How does binding of imidazole-based inhibitors to heme oxygenase-1 influence their conformation? Insights combining crystal structures and molecular modelling.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","447","454","10.1107/S2052520615010410","","","0.71073","MoKα","","0.1065","0.0613","","","0.0975","0.1099","","","","","","1.083","","","","has coordinates","246080","2020-10-21","18:00:00",""
"4001538","10.1662","0.0004","13.9762","0.0012","16.931","0.002","90","","90","","90","","2405.6","0.4","293","","293","","","","","","","","synthesised by authors","5","P c a b","-P 2bc 2ac","61","","","","- Cs2 Ga6 H2 O26 P6 -","- Cs2 Ga6 H2 O26 P6 -","- Cs8 Ga24 H8 O104 P24 -","4","0.5","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0555","0.0272","","","0.0274","0.0312","","","","1.28","1.28","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003141","12.87191","0.00014","28.0795","0.0005","7.06792","0.00008","90","","90","","90","","2554.61","0.06","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N O11 P2 S Sm -","- C4 N O11 P2 S Sm -","- C32 N8 O88 P16 S8 Sm8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.4124","synchrotron","","","","","","","","0.04308","","4.5","","","","","","","has coordinates","231134","2020-10-21","18:00:00",""
"4003142","12.93108","0.00033","27.9525","0.001","7.11941","0.00016","90","","90","","90","","2573.35","0.13","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N Nd O11 P2 S -","- C4 N Nd O11 P2 S -","- C32 N8 Nd8 O88 P16 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.03607","","1.2","","","","","","","has coordinates","231135","2020-10-21","18:00:00",""
"4003143","12.8176","0.0005","27.9047","0.0022","7.05997","0.00024","90","","90","","90","","2525.1","0.2","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 Eu N O11 P2 S -","- C4 Eu N O11 P2 S -","- C32 Eu8 N8 O88 P16 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.04989","","2.58","","","","","","","has coordinates","231136","2020-10-21","18:00:00",""
"4003144","12.98444","0.00014","27.9499","0.0006","7.15462","0.00008","90","","90","","90","","2596.51","0.07","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N O11 P2 Pr S -","- C4 N O11 P2 Pr S -","- C32 N8 O88 P16 Pr8 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.4124","synchrotron","","","","","","","","0.01678","","3.74","","","","","","","has coordinates","231137","2020-10-21","18:00:00",""
"4003145","12.7521","0.0006","27.9893","0.0014","7.01895","0.00031","90","","90","","90","","2505.2","0.2","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N O11 P2 S Tb -","- C4 N O11 P2 S Tb -","- C32 N8 O88 P16 S8 Tb8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","Mokα~1~","","","","","","","","0.0448","","1.67","","","","","","","has coordinates","231138","2020-10-21","18:00:00",""
"4003146","12.78286","0.00028","27.9621","0.0008","7.04068","0.00015","90","","90","","90","","2516.59","0.11","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 Gd N O11 P2 S -","- C4 Gd N O11 P2 S -","- C32 Gd8 N8 O88 P16 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.03691","","1.2","","","","","","","has coordinates","231139","2020-10-21","18:00:00",""
"4020890","15.1196","0.0018","17.9591","0.0016","25.632","0.002","90","0.04","90","0.04","90","0.02","6959.9","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C31 H42 Cl2 N3 O7 P -","- C31 H42 Cl2 N3 O7 P -","- C248 H336 Cl16 N24 O56 P8 -","8","1","","N. Satish Kumar; K. Praveen Kumar; K. V. P. Pavan Kumar; Praveen Kommana; Jagadese J. Vittal; K. C. Kumara Swamy","Diverse Modes of Reactivity of Dialkyl Azodicarboxylates with P(III) Compounds: Synthesis, Structure, and Reactivity of Products Other than the Morrison-Brunn-Huisgen Intermediate in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2004","69","","1880","1889","10.1021/jo035634d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021044","10.9443","0.0002","12.8927","0.0002","31.0269","0.0005","90","","90","","90","","4377.9","","150","","150","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C160 H256 O80 -","16","2","","David M. Hodgson; Frédéric Le Strat; Thomas D. Avery; Andrew C. Donohue; Tobias Brückl","Stereocontrolled Syntheses of the Nemorensic Acids Using 6-Diazoheptane-2,5-dione in Carbonyl Ylide Cycloadditions","Journal of Organic Chemistry","2004","69","","8796","8803","10.1021/jo048446b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021627","7.6944","0.0015","15.719","0.003","25.11","0.005","90","","90","","90","","3037.2","1","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C16 H12 I2 -","- C16 H12 I2 -","- C128 H96 I16 -","8","1","","Zhenfeng Xi; Zhiyi Song; Guangzhen Liu; Xiaozhong Liu; Tamotsu Takahashi","Preparation of Partially Substituted 1-Halo- and 1,4-Dihalo-1,3-dienes via Reagent-Controlled Desilylation of Halogenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","3154","3158","10.1021/jo060003f","","","0.71073","MoKα","","0.0667","0.0365","","","0.073","0.0793","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022115","8.4723","0.0018","16.42","0.004","17.215","0.004","90","","90","","90","","2394.8","0.9","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.2278","0.0695","","","0.0953","0.1311","","","","","","0.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022133","10.1031","0.0007","11.3618","0.0007","40.919","0.004","90","","90","","90","","4697.1","0.6","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C20 H38 N2 O4 -","- C20 H38 N2 O4 -","- C160 H304 N16 O32 -","8","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.219","0.0751","","","0.1474","0.2073","","","","","","1","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022251","7.9339","0.0005","15.9909","0.0011","17.3091","0.0014","90","","90","","90","","2196","0.3","173","1","173","1","","","","","","","see text","3","P c a b","-P 2bc 2ac","61","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C104 H112 O16 -","8","1","","Wolfgang Pitsch; Michael Klein; Manfred Zabel; Burkhard König","Synthesis and Structure of a Stabilized 10-Membered Cyclic Enediyne","Journal of Organic Chemistry","2002","67","","6805","6807","10.1021/jo025998q","","","0.71073","MoKα","","0.0465","0.0371","","","0.0949","0.0989","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4022333","14.8345","0.0002","30.4586","0.0003","34.0301","0.0005","90","","90","","90","","15376.1","0.3","150","","150","","","","","","","","Synthesised as described.","6","P c a b","-P 2bc 2ac","61","","","","- C72 H116 Cl N3 Si4 Zn -","- C72 H116 Cl N3 Si4 Zn -","- C576 H928 Cl8 N24 Si32 Zn8 -","8","1","","Alexander Krivokapic; Andrew R. Cowley; Harry L. Anderson","Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin","Journal of Organic Chemistry","2003","68","","1089","1096","10.1021/jo026748c","","","0.71073","MoKα","","0.1985","0.1229","","0.1861","0.1202","0.1178","","","","","","1.0539","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023499","7.046","0.004","15.999","0.01","26.916","0.016","90","","90","","90","","3034","3","213","2","213","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H22 N4 O3 -","- C14 H22 N4 O3 -","- C112 H176 N32 O24 -","8","1","","Ivan V. Korendovych; Mimi Cho; Olga V. Makhlynets; Phillip L. Butler; Richard J. Staples; Elena V. Rybak-Akimova","Anion and Carboxylic Acid Binding to Monotopic and Ditopic Amidopyridine Macrocycles","Journal of Organic Chemistry","2008","73","","4771","4782","10.1021/jo800128r","","","0.71073","MoKα","","0.1536","0.1479","","","0.3331","0.3383","","","","","","1.163","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024917","8.1087","0.0002","11.577","0.0003","32.9287","0.0007","90","","90","","90","","3091.16","0.13","200","2","200","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C18 H14 Br2 -","- C18 H14 Br2 -","- C144 H112 Br16 -","8","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.0571","0.0389","","","0.1025","0.1271","","","","","","1.136","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024918","7.903","0.0001","11.57","0.0002","32.895","0.0007","90","","90","","90","","3007.84","0.09","150","2","150","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C18 H12 Br2 -","- C18 H12 Br2 -","- C144 H96 Br16 -","8","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.0606","0.0368","","","0.0767","0.0851","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025118","11.3164","0.0012","17.6548","0.0019","20.537","0.002","90","","90","","90","","4103","0.8","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C27 H24 O2 -","- C27 H24 O2 -","- C216 H192 O16 -","8","1","","Liang-Feng Yao; Yin Wei; Min Shi","Silver- and Gold-Catalyzed Intramolecular Rearrangement of Propargylic Alcohols Tethered with Methylenecyclopropanes: Stereoselective Synthesis of Allenylcyclobutanols and 1-Vinyl-3-oxabicyclo[3.2.1]octan-8-one Derivatives","Journal of Organic Chemistry","2009","74","","9466","9469","10.1021/jo902261r","","","0.71073","MoKα","","0.1231","0.0777","","","0.1888","0.2259","","","","","","1.082","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4026188","10.0542","0.0003","18.2032","0.0006","23.872","0.0008","90","","90","","90","","4369","0.2","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C22 H24 N2 O5 S -","- C22 H24 N2 O5 S -","- C176 H192 N16 O40 S8 -","8","1","","Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin","Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction","Journal of Organic Chemistry","2011","76","","2888","2891","10.1021/jo102143r","","","0.71073","MoKα","","0.1332","0.0605","","","0.1822","0.2543","","","","","","0.827","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026613","7.6426","0.0007","22.219","0.002","30.684","0.003","90","","90","","90","","5210.5","0.8","100","2","100","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","AQ-pyrrole-imine","","","- C32 H30 N2 O6 -","- C32 H30 N2 O6 -","- C256 H240 N16 O48 -","8","1","","Prem N. Basa; Arundhati Bhowmick; Mariah M. Schulz; Andrew G. Sykes","Site-Selective Imination of an Anthracenone Sensor: Selective Fluorescence Detection of Barium(II)","Journal of Organic Chemistry","2011","76","","7866","7871","10.1021/jo2013143","","","0.71073","MoKα","","0.1129","0.0662","","","0.1742","0.2038","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027055","20.5963","0.0017","10.163","0.0007","15.4331","0.0011","90","","90","","90","","3230.5","0.4","290","1","290","1","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","","Kyoung A Jo; Muchchintala Maheswara; Eunyoung Yoon; Yun Yeong Lee; Hoseop Yun; Eun Joo Kang","N-Heterocyclic Carbene Catalyzed Domino Cyclization of Propargylic Alcohols and Benzoyl Isocyanates","Journal of Organic Chemistry","2012","77","","2924","2928","10.1021/jo202102y","","","0.71073","MoKα","","0.1418","0.052","","","0.0949","0.1196","","","","","","0.966","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4029791","7.8119","0.0001","9.8242","0.0002","25.8681","0.0005","90","","90","","90","","1985.26","0.06","123","2","123","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C6 H9 I N O4 P -","- C6 H9 I N O4 P -","- C48 H72 I8 N8 O32 P8 -","8","1","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.025","0.0228","","","0.0499","0.0509","","","","","","1.151","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029792","7.8654","0.0002","9.6441","0.0003","25.0515","0.0004","90","","90","","90","","1900.27","0.08","123","2","123","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C6 H9 Cl N O4 P -","- C6 H9 Cl N O4 P -","- C48 H72 Cl8 N8 O32 P8 -","8","1","","Raatikainen, Kari; Cametti, Massimo; Rissanen, Kari","The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts.","Beilstein journal of organic chemistry","2010","6","","4","","10.3762/bjoc.6.4","","x-ray","0.71073","MoKα","","0.045","0.036","","","0.0857","0.0897","","","","","","1.056","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4030020","10.5459","0.0007","11.3676","0.0006","30.188","0.0018","90","","90","0.004","90","","3619","0.4","120","2","120","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C23 H16 Cl N O -","- C23 H16 Cl N O -","- C184 H128 Cl8 N8 O8 -","8","1","","Sharma, Upendra; Park, Yoonsu; Chang, Sukbok","Rh(III)-Catalyzed Traceless Coupling of Quinoline N-Oxides with Internal Diarylalkynes.","The Journal of organic chemistry","2014","79","20","9899","9906","10.1021/jo501995c","","","0.71073","MoKα","","0.1173","0.0673","","","0.1523","0.1906","","","","","","1.079","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4031119","9.722","0.0002","10.9729","0.0002","21.2502","0.0005","90","","90","","90","","2266.94","0.08","150","","150","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","","Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols.","The Journal of organic chemistry","2015","80","13","6609","6618","10.1021/acs.joc.5b00716","","","0.71073","MoKα","","0.0869","0.0518","","0.1121","0.0921","0.0879","","","","","","0.9293","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4032236","17.566","0.005","16.38","0.005","22.132","0.005","90","0.005","90","0.005","90","0.005","6368","3","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C39 H35 N O -","- C39 H35 N O -","- C312 H280 N8 O8 -","8","1","","Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan","Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks.","The Journal of organic chemistry","2017","82","1","420","430","10.1021/acs.joc.6b02516","","","0.71069","MoKα","","0.1249","0.064","","","0.1648","0.2075","","","","","","0.944","","","","has coordinates","193237","2020-10-21","18:00:00",""
"4033566","10.6327","0.0007","15.2805","0.0016","18.3404","0.0014","90","","90","","90","","2979.8","0.4","120","2","120","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C13 H12 Cd N6 O2 S -","- C13 H12 Cd N6 O2 S -","- C104 H96 Cd8 N48 O16 S8 -","8","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.0955","0.0559","","","0.149","0.1818","","","","","","1.099","","","","has coordinates","207866","2020-10-21","18:00:00",""
"4060538","16.2251","0.0004","16.5889","0.0003","18.8273","0.0004","90","","90","","90","","5067.49","0.19","173","2","173","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C28 H33 N O4 W -","- C28 H33 N O4 W -","- C224 H264 N8 O32 W8 -","8","1","","","","Organometallics","2005","","","","","10.1021/om050103w","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061222","13.9281","0.0008","14.398","0.003","15.554","0.004","90","","90","","90","","3119.1","1","295","","295","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C16 H23 O4 Rh -","- C16 H19 O4 Rh -","- C128 H152 O32 Rh8 -","8","1","","Jamal Moussa; Carine Guyard-Duhayon; Patrick Herson; Marie Noelle Rager; Hani Amouri; Anny Jutand","eta5-Semiquinone Complexes and the Related p- eta4-Benzoquinone of Pentamethylcyclopentadienyl-Rhodium and -Iridium: Synthesis, Structures, Hydrogen Bonding and Electrochemical Behavior","Organometallics","2004","","","","","10.1021/om049292t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063151","13.9806","0.0017","15.5986","0.0019","22.644","0.003","90","","90","","90","","4938.1","1","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C18 H35 N3 O4 Si2 -","- C18 H35 N3 O4 Si2 -","- C144 H280 N24 O32 Si16 -","8","1","","","","Organometallics","2004","","","","","10.1021/om0499299","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063363","7.778","0.0014","15.665","0.002","19.09","0.003","90","","90","","90","","2326","0.6","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C11 H13 Cl Pd S -","- C11 H13 Cl Pd S -","- C88 H104 Cl8 Pd8 S8 -","8","1","","Kleimark, Jonatan; Johansson, Charlotte; Olsson, Susanne; Håkansson, Mikael; Hansson, Sverker; Åkermark, Björn; Norrby, Per-Ola","Sterically Governed Selectivity in Palladium-Assisted Allylic Alkylation","Organometallics","2011","30","2","230","","10.1021/om1007264","","x-ray","0.71073","MoKα","","0.0379","0.0358","","","0.0848","0.0865","","","","","","1.062","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4068472","11.0038","0.0011","14.7512","0.0016","15.7784","0.0016","90","","90","","90","","2561.1","0.5","110","2","110","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C14 H4 F5 P S2 -","- C14 H4 F5 P S2 -","- C112 H32 F40 P8 S16 -","8","1","","Ren, Yi; Dienes, Yvonne; Hettel, Sonja; Parvez, Masood; Hoge, Berthold; Baumgartner, Thomas","Highly Fluorinated Dithieno[3,2-b:2′,3′-d]phospholes with Stabilized LUMO Levels","Organometallics","2009","28","3","734","","10.1021/om800874d","","","0.71073","MoKα","","0.0423","0.0358","","","0.0939","0.0965","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4069749","19.1624","0.0001","20.4613","0.0001","27.5283","0.0002","90","","90","","90","","10793.5","0.11","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C48 H80 B N9 Si2 Sr -","- C48 H80 B N9 Si2 Sr -","- C384 H640 B8 N72 Si16 Sr8 -","8","1","","Arrowsmith, Merle; Heath, Alex; Hill, Michael S.; Hitchcock, Peter B.; Kociok-Köhn, Gabriele","Tris(imidazolin-2-ylidene-1-yl)borate Complexes of the Heavier Alkaline Earths: Synthesis and Structural Studies","Organometallics","2009","28","15","4550","","10.1021/om9003994","","","0.71073","MoKα","","0.0848","0.0467","","","0.0909","0.1052","","","","","","1.051","","","","has coordinates","178586","2020-10-21","18:00:00",""
"4069878","11.668","0.003","12.848","0.005","25.332","0.003","90","","90","","90","","3797.5","1.8","300","2","300","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C20 H31 Ni P -","- C20 H31 Ni P -","- C160 H248 Ni8 P8 -","8","1","","Hussain, Mazhar; Kohser, Stefanie; Janssen, Karin; Wartchow, Rudolf; Butenschön, Holger","The First η5-Indenylnickel Chelate Complexes with a Pendant Phosphane Tether","Organometallics","2009","28","17","5212","","10.1021/om9004725","","","0.71073","MoKα","","0.0496","0.0301","","","0.0699","0.074","","","","","","1.026","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069958","17.369","0.0002","19.512","0.0003","42.733","0.0006","90","","90","","90","","14482.4","0.3","120","","120","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C80 H78 P6 Pt3 Si2 -","- C80 H78 P6 Pt3 Si2 -","- C640 H624 P48 Pt24 Si16 -","8","1","","Arii, Hidekazu; Takahashi, Makiko; Nanjo, Masato; Mochida, Kunio","Synthesis and Structure of a Trinuclear Platinum Complex with μ3-Silylyne Ligands Derived from a Disilane","Organometallics","2009","28","16","4629","","10.1021/om900533z","","","0.71073","MoKα","","0.0533","0.0442","","","0.1096","0.1162","","","","","","1.043","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4071089","16.99","0.001","17.24","0.001","17.647","0.001","90","","90","","90","","5168.9","0.5","293","2","293","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C24 H29 F6 Fe N2 P Pd -","- C24 H27 F6 Fe N2 P Pd -","- C192 H216 F48 Fe8 N16 P8 Pd8 -","8","1","","Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida","Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph}","Organometallics","2008","27","17","4288","","10.1021/om7012452","","","0.71073","MoKα","","0.0691","0.0647","","","0.1763","0.1816","","","","","","1.23","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071349","13.2517","0.0005","42.872","0.002","13.2474","0.0005","90","","90","","90","","7526.2","0.5","180","","180","","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C35 H48 Cl2 N4 Ti -","- C35 H48 Cl2 N4 Ti -","- C280 H384 Cl16 N32 Ti8 -","8","1","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","","0.71073","MoKα","","0.1223","0.0566","","","0.1313","0.1625","","","","","","1.001","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071688","13.201","","14.92","","17.373","","90","","90","","90","","3421.77","","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C17 H21 Cl2 N Ti -","- C17 H21 Cl2 N Ti -","- C136 H168 Cl16 N8 Ti8 -","8","1","","Wu, Chun Ji; Lee, Sang Hoon; Yu, Seung Tack; Na, Sung Jae; Yun, Hoseop; Lee, Bun Yeoul","CO2-Mediatedortho-Lithiation ofN-Alkylanilines and Its Use for the Construction of Polymerization Catalysts","Organometallics","2008","27","15","3907","","10.1021/om800317v","","","0.71073","MoKα","","0.0249","0.023","","","0.0626","0.0638","","","","","","1.075","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4072572","14.7578","0.0007","15.198","0.0007","20.8733","0.001","90","","90","","90","","4681.7","0.4","100","2","100","2","","","","","","","synthesis as described","7","P c a b","-P 2bc 2ac","61","","","","- C23 H37 N O S Si Ti -","- C23 H37 N O S Si Ti -","- C184 H296 N8 O8 S8 Si8 Ti8 -","8","1","","Lian, Bing; Thomas, Christophe M.; Navarro, Christophe; Carpentier, Jean-François","“Constrained Geometry” Titanium Complexes: Exceptionally Robust Systems for Living Polymerization of Methacrylates at High Temperature and Model Studies toward Chain Transfer Polymerization with Thiols","Organometallics","2007","26","1","187","","10.1021/om060838g","","x-ray","0.71073","MoKα","","0.0502","0.0402","","","0.0991","0.1037","","","","","","1.066","","","","has coordinates,has disorder","178614","2020-10-21","18:00:00",""
"4072583","6.7919","0.0014","23.052","0.005","25.445","0.005","90","","90","","90","","3983.8","1.4","298","2","298","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C16 H16 O5 S4 W2 -","- C16 H16 O5 S4 W2 -","- C128 H128 O40 S32 W16 -","8","1","","Hossain, Md. Munkir; Lin, Hsiu-Mei; Shyu, Shin-Guang","Formation of a Dithiophosphinate Ligand Ph2PS2by Sulfur Insertion into the Metal−Phosphido Bond on Heterobimetallic Phosphido-Bridged Complex Cp(CO)2W(μ-PPh2)Mo(CO)5: A Rare Example of a Neutral Six-Electron Mixed-Metal Cluster with a Mo2WS4Core","Organometallics","2007","26","3","685","","10.1021/om0608509","","x-ray","0.71073","MoKα","","0.2006","0.0503","","","0.0976","0.128","","","","","","1.02","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072728","17.376","0.0002","24.139","0.0002","25.194","0.0002","90","","90","","90","","10567.3","0.17","173","1","173","1","","","","","","","","6","P c a b","-P 2bc 2ac","61","Compound X","","","- C54.5 H38 Cl3 F10 P2 Pt2 -","- C54.5 H38 Cl3 F10 P2 Pt2 -","- C436 H304 Cl24 F80 P16 Pt16 -","8","1","","Berenguer, Jesús R.; Bernechea, María; Lalinde, Elena","Rearrangement or C−H Activation Processes Promoted by Reaction with the Solvate [cis-Pt(C6F5)2(thf)2]","Organometallics","2007","26","5","1161","","10.1021/om060977y","","","0.71073","MoKα","","0.0714","0.0456","","","0.1163","0.1286","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072936","9.3437","0.0018","18.924","0.004","20.531","0.004","90","","90","","90","","3630.3","1.3","93","2","93","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C16 H18 I2 O Te -","- C16 H18 I2 O Te -","- C128 H144 I16 O8 Te8 -","8","1","","Chauhan, Ashok K. S.; Singh, Puspendra; Kumar, Arun; Srivastava, Ramesh C.; Butcher, Ray J.; Duthie, Andrew","Room-Temperature Insertion of Elemental Tellurium into the Csp3−Br and −I Bonds of α-Bromo- and α-Iodopinacolone","Organometallics","2007","26","8","1955","","10.1021/om061144a","","","0.71073","MoKα","","0.0896","0.0541","","","0.1354","0.1722","","","","","","1.031","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4073909","13.223","0.004","14.573","0.003","24.6375","0.0016","90","","90","","90","","4747.6","1.8","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C23 H17 Cl Mn N3 O8 -","- C23 H17 Cl Mn N3 O8 -","- C184 H136 Cl8 Mn8 N24 O64 -","8","1","","Ruiz, Javier; Perandones, Bernabé F.; García, Gabriel; Mosquera, Marta E. G.","Synthesis of N-Heterocyclic Carbene Complexes of Manganese(I) by Coupling Isocyanide Ligands with Propargylamines and Propargylic Alcohols§","Organometallics","2007","26","23","5687","","10.1021/om700718x","","","0.71073","MoKα","","0.1021","0.0462","","","0.0936","0.1181","","","","","","1.046","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4075754","10.284","0.003","21.386","0.005","22.061","0.005","90","","90","","90","","4852","2","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C20 H28 Cu2 F6 O4 -","- C20 H28 Cu2 F5.94 O4 -","- C160 H224 Cu16 F47.52 O32 -","8","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions","Organometallics","2005","24","5","819","","10.1021/om049314b","","","0.71073","MoKα","","0.1197","0.0466","","","0.107","0.1251","","","","","","0.811","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4076118","16.8447","0.0003","17.0707","0.0004","17.7094","0.0004","90","","90","","90","","5092.35","0.19","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","sa0411","","","- C25 H34 Cl Fe Ga O2 -","- C25 H34 Cl Fe Ga O2 -","- C200 H272 Cl8 Fe8 Ga8 O16 -","8","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1327","0.0532","","","0.1076","0.1304","","","","","","1.031","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076130","14.981","0.0002","21.521","0.0003","29.839","0.0004","90","","90","","90","","9620.3","0.2","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","sa0510","","","- C37.5 H46.5 Cl3 Fe3 In2 O6 -","- C37.5 H45 Cl3 Fe3 In2 O6 -","- C300 H360 Cl24 Fe24 In16 O48 -","8","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0835","0.0527","","","0.1356","0.1499","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076132","7.5598","0.0002","18.7946","0.0005","23.1101","0.0006","90","","90","","90","","3283.56","0.15","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","sa0429","","","- C28 H20 Fe4 I2 In2 O8 -","- C28 H20 Fe4 I2 In2 O8 -","- C112 H80 Fe16 I8 In8 O32 -","4","0.5","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.0888","0.0465","","","0.0852","0.098","","","","","","1.031","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4077469","12.32","0.003","37.838","0.01","10.216","0.003","90","","90","","90","","4762","2","97","","97","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C27 H33 O3 P -","- C27 H33 O3 P -","- C216 H264 O24 P8 -","8","1","","Romain, Jeff K.; Ribblett, Jason W.; Byrn, Robert W.; Snyder, Richard D.; Storhoff, Bruce N.; Huffman, John C.","Synthesis and Properties of Phenyl Phosphines with Meta-Positioned Methyl Groups and the X-ray Structure of Tris(3,5-dimethyl-4-methoxyphenyl)phosphine","Organometallics","2000","19","10","2047","","10.1021/om000019a","","","0.71069","MoKα","","","0.0523","","","","0.0413","","","","","","1.4652","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4078875","16.5875","0.0006","18.1081","0.0006","40.2373","0.0016","90","","90","","90","","12086","0.8","150","2","150","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C74 H65 In N4 O3 Si2 -","- C74 H65 In N4 O3 Si2 -","- C592 H520 In8 N32 O24 Si16 -","8","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Meerwein‒Ponndorf‒Verley-Type Reduction Processes in Aluminum and Indium Isopropoxide Complexes of Imino-Phenolate Ligands","Organometallics","2012","31","15","5511","","10.1021/om300481q","","x-ray","0.71073","MoKα","","0.0729","0.0533","","","0.0991","0.1056","","","","","","1.146","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4079211","7.118","0.001","19.666","0.001","21.805","0.001","90","","90","","90","","3052.3","0.5","173","2","173","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","9c","2-ethoxy-4-phenyl-5H-indeno[1,2-b]pyridine","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","1","","González, Héctor F.; Blanco-Lomas, Marina; Rivado-Casas, Laura; Rodr\?íguez, Miguel A.; Campos, Pedro J.; Sampedro, Diego","Addition of Oxime Derivatives to Alkynyl Fischer Carbene Complexes","Organometallics","2012","31","18","6572","","10.1021/om300570q","","","0.71073","MoKα","","0.0651","0.0424","","","0.0963","0.1073","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080548","16.799","0.002","18.206","0.003","33.473","0.005","90","","90","","90","","10237","3","173","2","173","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C51 H83 Cl Ir N O2 P2 -","- C51 H83 Cl Ir N O2 P2 -","- C408 H664 Cl8 Ir8 N8 O16 P16 -","8","1","","Chang, Yung-Hung; Nakajima, Yumiko; Ozawa, Fumiyuki","A Bis(phosphaethenyl)pyridine Complex of Iridium(I): Synthesis and Catalytic Application toN-Alkylation of Amines with Alcohols","Organometallics","2013","32","7","2210","","10.1021/om4000743","","","0.7107","MoKα","","0.0536","0.0427","","","0.1332","0.1437","","","","","","1.003","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4083163","10.904","0.002","18.628","0.004","28.006","0.006","90","","90","","90","","5689","2","173","","173","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C36 H28 F P Sn -","- C36 H28 F P Sn -","- C288 H224 F8 P8 Sn8 -","8","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.1632","0.0762","","","0.1182","0.1511","","","","","","0.89","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4084335","15.97","0.0002","24.4817","0.0003","19.5063","0.0003","90","","90","","90","","7626.43","0.18","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C40 H35 Co F10 N P3 -","- C40 H35 Co F10 N P3 -","- C320 H280 Co8 F80 N8 P24 -","8","1","","Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian","Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles","Organometallics","2014","33","19","5440","","10.1021/om500734b","","","0.71073","MoKα","","0.1087","0.0463","","","0.0961","0.1166","","","","","","1.041","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084583","18.058","0.002","23.918","0.003","27.749","0.004","90","","90","","90","","11985","3","173","2","173","2","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C66 H86 B0 Br F0 Fe N2 P2 -","- C66 H86 Br Fe N2 P2 -","- C528 H688 Br8 Fe8 N16 P16 -","8","1","","Lin, Ya-Fan; Ichihara, Nobuko; Nakajima, Yumiko; Ozawa, Fumiyuki","Disproportionation of Bis(phosphaethenyl)pyridine Iron(I) Bromide Induced bytBuNC","Organometallics","2014","33","22","6700","","10.1021/om500901a","","","0.7107","MoKα","","0.09","0.0669","","","0.1755","0.1904","","","","","","1.145","","","","has coordinates","178734","2020-10-21","18:00:00",""
"4085404","14.1614","0.0007","17.0899","0.0008","17.9197","0.0009","90","","90","","90","","4336.9","0.4","150","2","150","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C23 H30 Be N2 -","- C23 H30 Be N2 -","- C184 H240 Be8 N16 -","8","1","","Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele","Activation of N-Heterocyclic Carbenes by {BeH2} and {Be(H)(Me)} Fragments","Organometallics","2015","34","3","653","","10.1021/om501314g","","","0.71073","MoKα","","0.1086","0.0648","","","0.1408","0.1679","","","","","","1.127","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4088556","17.24","0.002","17.913","0.002","24.442","0.003","90","","90","","90","","7548.2","1.5","173","2","173.15","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C37 B F4 Fe N P2 -","- C37 B F4 Fe N P2 -","- C296 B8 F32 Fe8 N8 P16 -","8","1","","Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho","Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues","Organometallics","2016","35","8","1151","","10.1021/acs.organomet.6b00179","","","0.71","synchrotron","","0.0755","0.0639","","","0.1701","0.1749","","","","","","1.6066","","","","has coordinates","237665","2020-10-21","18:00:00",""
"4100308","10.5031","0.0001","18.9228","0.0003","25.0747","0.0005","90","","90","","90","","4983.55","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H10 Co O4 -","- C14 H10 Co O4 -","- C224 H160 Co16 O64 -","16","2","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100313","10.6761","0.0002","19.1023","0.0005","24.9963","0.001","90","","90","","90","","5097.7","0.3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C28 H20 Co Mn O8 -","- C28 H20 Co Mn O8 -","- C224 H160 Co8 Mn8 O64 -","8","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101140","22.3928","0.0002","22.5503","0.0002","25.8204","0.0003","90","","90","","90","","13038.4","0.2","90","0.2","90","0.2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C76 H86 Al Br N2 O4 P2 -","- C76 H86 Al Br N2 O4 P2 -","- C608 H688 Al8 Br8 N16 O32 P16 -","8","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja054684s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178757","2020-10-21","18:00:00",""
"4101657","9.0904","0.0003","10.349","0.0003","30.9898","0.0014","90","","90","","90","","2915.41","0.18","295","2","295","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H16 Cl2 O3 -","- C14 H16 Cl2 O3 -","- C112 H128 Cl16 O24 -","8","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0903","0.0472","","","0.1096","0.135","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107683","16.369","0.002","18.632","0.003","19.616","0.003","90","","90","","90","","5982.6","1.5","141","2","141","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H47 Br N U -","- C32 H47 Br N U -","- C256 H376 Br8 N8 U8 -","8","1","","Christopher R. Graves; Ping Yang; Stosh A. Kozimor; Anthony E. Vaughn; David L. Clark; Steven D. Conradson; Eric J. Schelter; Brian L. Scott; J. D. Thompson; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Organometallic Uranium(V)-Imido Halide Complexes: From Synthesis to Electronic Structure and Bonding","Journal of the American Chemical Society","2008","130","","5272","5285","10.1021/ja711010h","","","0.71073","MoKα","","0.1264","0.1124","","","0.3655","0.3696","","","","","","2.71","","","","has coordinates,has disorder","178822","2020-10-21","18:00:00",""
"4108633","8.784","0.0004","14.031","0.0004","22.2306","0.0009","90","","90","","90","","2739.88","0.18","150","","150","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C112 H128 O48 -","8","1","","Manon Chaumontet; Riccardo Piccardi; Nicolas Audic; Julien Hitce; Jean-Louis Peglion; Eric Clot; Olivier Baudoin","Synthesis of Benzocyclobutenes by Palladium-Catalyzed C-H Activation of Methyl Groups: Method and Mechanistic Study","Journal of the American Chemical Society","2008","130","","15157","15166","10.1021/ja805598s","","","0.71069","MoKα","","0.0948","0.0509","","0.0986","0.0587","0.0587","","","","","","1.1357","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109438","14.106","0.005","19.03","0.005","48.863","0.005","90","0.005","90","0.005","90","0.005","13117","6","90","2","90","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C76 H86 Cl3 N7 Pd -","- C76 H86 Cl3 N7 Pd -","- C608 H688 Cl24 N56 Pd8 -","8","1","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Porphyrin Pincer Complexes: Peripherally Cyclometalated Porphyrins and Their Catalytic Activities Controlled by Central Metals","Journal of the American Chemical Society","2007","129","","6392","6393","10.1021/ja072218s","","","0.71069","MoKα","","0.1125","0.0883","","","0.208","0.2219","","","","","","1.052","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4112699","17.2333","0.0006","24.8954","0.0008","29.6704","0.0009","90","","90","","90","","12729.5","0.7","120","","120","","","","","","","","?","2","P c a b","-P 2bc 2ac","61","","","","- C80 H94 -","- C80 H94 -","- C640 H752 -","8","1","","Zhaohui Wang; Željko Tomović; Marcel Kastler; Ramona Pretsch; Fabrizia Negri; Volker Enkelmann; Klaus Müllen","Graphitic Molecules with Partial ""Zig/Zag"" Periphery","Journal of the American Chemical Society","2004","126","","7794","7795","10.1021/ja048580d","","","1.54184","CuKα","","","0.0804","","","","0.0943","","","","","","0.9609","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114162","12.973","0.0007","19.9685","0.0013","35.238","0.002","90","","90","","90","","9128.5","0.9","120","2","120","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C60 H38 I2 N4 Ni -","- C58.56 H25 I2 N4 Ni -","- C468.48 H200 I16 N32 Ni8 -","8","1","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.2307","0.0623","","","0.0993","0.1321","","","","","","0.748","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114163","13.044","0.016","19.26","0.02","35.51","0.05","90","","90","","90","","8921","19","128","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C50 H28 Br2 Cl6 N4 Ni -","- C48.5 H27 Br2 Cl4.32 N4 Ni -","- C388 H216 Br16 Cl34.56 N32 Ni8 -","8","1","","Mahendra Nath; John C. Huffman; Jeffrey M. Zaleski","Ambient Temperature Activation of Haloporphyrinic-Enediynes: Electronic Contributions to Bergman Cycloaromatization","Journal of the American Chemical Society","2003","125","","11484","11485","10.1021/ja0302782","","","0.71073","MoKα","","0.3019","0.1168","","","0.271","0.3597","","","","","","0.984","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114459","14.2054","0.0013","19.0969","0.0017","21.498","0.002","90","","90","","90","","5832","0.9","94","2","94","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C29 H43 O7 Rb -","- C29 H43 O7 Rb -","- C232 H344 O56 Rb8 -","8","1","","Jacob S. Alexander; Damian G. Allis; Bruce S. Hudson; Karin Ruhlandt-Senge","An Examination of Metal-Ligand Binding Modes in Rubidium Diphenylmethanide","Journal of the American Chemical Society","2003","125","","15002","15003","10.1021/ja037201y","","","0.71073","MoKα","","0.1385","0.1094","","","0.2212","0.2287","","","","","","1.249","","","","has coordinates,has disorder","178915","2020-10-21","18:00:00",""
"4114614","16.355","0.003","16.69","0.003","60.729","0.012","90","","90","","90","","16577","5","95","1","95","1","","","","","","","","6","P c a b","-P 2bc 2ac","61","P1A2/Ru","","","- C88 H62 F24 N8 P4 Ru -","- C88 H62 F24 N8 P4 Ru -","- C704 H496 F192 N64 P32 Ru8 -","8","1","","Philippe Lainé; Fethi Bedioui; Philippe Ochsenbein; Valérie Marvaud; Michel Bonin; Edmond Amouyal","A New Class of Functionalized Terpyridyl Ligands as Building Blocks for Photosensitized Supramolecular Architectures. Synthesis, Structural, and Electronic Characterizations","Journal of the American Chemical Society","2002","124","","1364","1377","10.1021/ja011069p","","","0.71073","MoKα","","0.2085","0.1307","","0.3489","0.2765","","","","1.653","2.003","2.003","","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114865","16.305","0.003","17.315","0.004","18.344","0.004","90","","90","","90","","5178.9","1.9","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C29 H36 P Rh -","- C29 H36 P Rh -","- C232 H288 P8 Rh8 -","8","1","","Helmut Werner; Ralf Wiedemann; Matthias Laubender; Bettina Windmüller; Paul Steinert; Olaf Gevert; Justin Wolf","Unusual Pathways for Metal-Assisted C-C and C-P Coupling Reactions Using Allenylidenerhodium Complexes as Precursors","Journal of the American Chemical Society","2002","124","","6966","6980","10.1021/ja012479g","","","0.71073","MoKα","","0.1597","0.0523","","","0.117","0.1483","","","","","","0.986","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4135205","14.4913","0.0004","18.099","0.0005","25.5467","0.0007","90","","90","","90","","6700.3","0.3","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C32 H28 N6 O7 Ru -","- C32 H22 N6 O7 Ru -","- C256 H176 N48 O56 Ru8 -","8","1","","Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.","Journal of the American Chemical Society","2020","142","35","15020","15026","10.1021/jacs.0c05758","","","1.54184","CuKα","","0.0651","0.0632","","","0.1853","0.1865","","","","","","1.185","","","","has coordinates,has disorder","255870","2020-10-21","18:00:00",""
"4302679","15.1193","0.0011","21.965","0.002","24.3216","0.0008","90","","90","","90","","8077.1","1","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C70 H58 Cu4 N28 O25 -","- C70 H48 Cu4 N28 O25 -","- C280 H192 Cu16 N112 O100 -","4","0.5","","Consuelo Yuste; Laura Cañadillas-Delgado; Ana Labrador; Fernando S. Delgado; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","Low-Dimensional Copper(II) Complexes with the Trinucleating Ligand 2,4,6-Tris(di-2-pyridylamine)-1,3,5-triazine: Synthesis, Crystal Structures, and Magnetic Properties","Inorganic Chemistry","2009","48","","6630","6640","10.1021/ic900599g","","x-ray","0.71073","MoKα","","0.0909","0.0708","","","0.2038","0.2323","","","","","","1.108","","","","has coordinates,has disorder","179064","2020-10-21","18:00:00",""
"4304503","13.3352","0.0003","20.2099","0.0005","21.6219","0.0006","90","","90","","90","","5827.2","0.3","200","2","200","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C19 H32 Cl2 Fe N6 Na O8 -","- C19 H32 Cl2 Fe N6 Na O8 -","- C152 H256 Cl16 Fe8 N48 Na8 O64 -","8","1","","Hsiao-Wen Huang; Chih-Chin Tsou; Ting-Shen Kuo; Wen-Feng Liaw","New Members of a Class of Dinitrosyliron Complexes (DNICs): Interconversion and Spectroscopic Discrimination of the Anionic {Fe(NO)2}9[(NO)2Fe(C3H3N2)2]- and [(NO)2Fe(C3H3N2)(SR)]- (C3H3N2= Deprotonated Imidazole; R =tBu, Et, Ph)","Inorganic Chemistry","2008","47","","2196","2204","10.1021/ic702000y","","","0.71073","MoKα","","0.0867","0.0472","","","0.1254","0.1673","","","","","","1.07","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304781","17.4872","0.0004","9.4132","0.0002","8.7304","0.0002","90","","90","","90","","1437.12","0.06","293","","293","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","Magnesium borohydride ammonia","","- B2 H14 Mg N2 -","- B2 H14 Mg N2 -","- B16 H112 Mg8 N16 -","8","1","","Grigorii L. Soloveichik; Jae-Hyuk Her; Peter W. Stephens; Yan Gao; Job Rijssenbeek; Matthew Andrus; Ji-Cheng Zhao","Ammine Magnesium Borohydride Complex as a New Material for Hydrogen Storage: Structure and Properties of Mg(BH4)2.2NH3","Inorganic Chemistry","2008","47","","4290","4298","10.1021/ic7023633","powder diffraction","","0.700319","synchrotron","","","","","","","","","0.019","1.254","","","","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4306112","22.1948","0.0004","23.6739","0.0004","24.0851","0.0003","90","","90","","90","","12655.2","0.4","150","","150","","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C27 H63 I9 N9 O9 Pb3 Y -","- C27 H63 I9 N9 O9 Pb3 Y -","- C216 H504 I72 N72 O72 Pb24 Y8 -","8","1","","Shashank Mishra; Erwann Jeanneau; Stéphane Daniele; Gilles Ledoux; Prakash N. Swamy","Solid- and Solution Phase Transformations in Novel Hybrid Iodoplumbate Derivatives Templated by Solvated Yttrium Complexes","Inorganic Chemistry","2008","47","","9333","9343","10.1021/ic8010376","","","0.71069","MoKα","","0.0859","0.0385","","0.0814","0.0442","0.0442","","","","","","1.0467","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308683","24.8865","","9.67178","","9.44625","","90","","90","","90","","2273.68","","","","298","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","catena bis(5-nitro-pyrimidin-2-olate) cobalt(ii)","","- C8 H4 Co N6 O6 -","- C8 H4 Co N6 O6 -","- C64 H32 Co8 N48 O48 -","8","1","","Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate","Inorganic Chemistry","2005","44","","1472","1481","10.1021/ic048539b","","","1.5418","CuKα","","0.097","","","","","0.126","","","","","","1.26","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308684","25.3228","","9.62696","","9.43197","","90","","90","","90","","2299.34","","","","298","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","catena bis(5-nitro-pyrimidin-2-olate) zinc(ii)","","- C8 H4 N6 O6 Zn -","- C8 H4 N6 O6 Zn -","- C64 H32 N48 O48 Zn8 -","8","1","","Elisa Barea; M. Angustias Romero; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Structure, Spectroscopic Properties, and Reversible Solid-to-Solid Reactions of Metal Complexes of 5-Nitro-pyrimidin-2-olate","Inorganic Chemistry","2005","44","","1472","1481","10.1021/ic048539b","","","1.5418","CuKα","","0.098","","","","","0.128","","","","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310465","13.42758","0.00042","12.90329","0.00045","6.75501","0.00019","90","","90","","90","","1170.37","0.06","","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","Ni(4-pymo)2(H2O)4","","","- C8 H14 N4 Ni O6 -","- C8 H6 N4 Ni O6 -","- C32 H24 N16 Ni4 O24 -","4","0.5","","Elisa Barea; Jorge A. R. Navarro; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi","Coordination Frameworks Containing the Pyrimidin-4-olate Ligand. Synthesis, Thermal, Magnetic, and ab Initio XRPD Structural Characterization of Nickel and Zinc Derivatives","Inorganic Chemistry","2004","43","","473","481","10.1021/ic0351287","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311316","11.14","0.005","23.002","0.005","24.423","0.005","90","0.005","90","0.005","90","0.005","6258","3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- Al Co H31 Mo6 O36 -","- Al Co Mo6 O36 -","- Al8 Co8 Mo48 O288 -","8","1","","Catherine Martin; Carole Lamonier; Michel Fournier; Olivier Mentré; Virginie Harlé; Denis Guillaume; Edmond Payen","Preparation and Characterization of 6-Molybdocobaltate and 6-Molybdoaluminate Cobalt Salts. Evidence of a New Heteropolymolybdate Structure","Inorganic Chemistry","2004","43","","4636","4644","10.1021/ic0354365","","","0.71073","MoKα","","0.0444","0.0444","","","0.0967","0.0967","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311317","11.139","0.002","22.96","0.004","24.486","0.005","90","","90","","90","","6262","2","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- Co2 H31 Mo6 O36 -","- Co2 Mo6 O36 -","- Co16 Mo48 O288 -","8","1","","Catherine Martin; Carole Lamonier; Michel Fournier; Olivier Mentré; Virginie Harlé; Denis Guillaume; Edmond Payen","Preparation and Characterization of 6-Molybdocobaltate and 6-Molybdoaluminate Cobalt Salts. Evidence of a New Heteropolymolybdate Structure","Inorganic Chemistry","2004","43","","4636","4644","10.1021/ic0354365","","x-ray","0.71073","MoKα","","0.0388","0.0388","","","0.0924","0.0924","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317691","13.032","0.004","14.37","0.011","14.839","0.018","90","","90","","90","","2779","4","295","","295","","","","","","","","?","5","P c a b","-P 2bc 2ac","61","","","","- C10 H15 Ir N2 O6 -","- C10 H15 Ir N2 O6 -","- C80 H120 Ir8 N16 O48 -","8","1","","Hani Amouri; Carine Guyard-Duhayon; Jacqueline Vaissermann; Marie Noelle Rager","(η5-Pentamethylcyclopentadienyl)rhodium and -iridium Complexes with Weakly and Strongly Coordinating Anions: Isolation and First X-ray Molecular Structures of the Tris(solvent) Complexes [(C5Me5)M(acetone)2(H2O)][BF4]2 (M = Rh, Ir)","Inorganic Chemistry","2002","41","","1397","1403","10.1021/ic010772b","","","0.71069","MoKα","","","0.0402","","","","0.0475","","","","","","1.0488","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320233","8.7425","0.0007","18.0742","0.0013","35.872","0.003","90","","90","","90","","5668.3","0.8","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","Fe(CO)4[P(C9H8N)3]","","- C31 H24 Fe N3 O4 P -","- C31 H24 Fe N3 O4 P -","- C248 H192 Fe8 N24 O32 P8 -","8","1","","Thomas S. Barnard; Mark R. Mason","Hindered Axial-Equatorial Carbonyl Exchange in an Fe(CO)4(PR3) Complex of a Rigid Bicyclic Phosphine","Inorganic Chemistry","2001","40","","5001","5009","10.1021/ic001372b","","","0.71073","MoKα","","0.1137","0.0533","","","0.0944","0.1105","","","","","","1.013","","","","has coordinates,has disorder","179305","2020-10-21","18:00:00",""
"4320815","10.3387","0.0013","13.222","0.002","17.394","0.004","90","","90","","90","","2377.7","0.7","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C6 H4 Cu2 O12 -","- C6 H4 Cu2 O12 -","- C48 H32 Cu16 O96 -","8","1","","Catalina Ruiz-Pérez; Joaquín Sanchiz; María Hernández Molina; Francesc Lloret; Miguel Julve","Ferromagnetism in Malonato-Bridged Copper(II) Complexes. Synthesis, Crystal Structures, and Magnetic Properties of {[Cu(H2O)3][Cu(mal)2(H2O)]}n and {[Cu(H2O)4]2[Cu(mal)2(H2O)]}[Cu(mal)2(H2O)2]{[Cu(H2O)4][Cu(mal)2(H2O)2]} (H2mal = malonic Acid)","Inorganic Chemistry","2000","39","","1363","1370","10.1021/ic9908165","","","0.71073","MoKα","","0.0539","0.0367","","","0.1138","0.122","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320949","14.328","0.002","18.603","0.002","18.948","0.002","90","","90","","90","","5050.5","1","298","","298","","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C26 H30 N2 O2 P Re S -","- C26 H30 N2 O2 P Re S -","- C208 H240 N16 O16 P8 Re8 S8 -","8","1","","Berthold Nock; Theodosia Maina; Francesco Tisato; Minas Papadopoulos; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis","Synthesis and Characterization of Six-Coordinate ""3 + 2"" Mixed-Ligand Oxorhenium Complexes with theo-Diphenylphosphinophenolato Ligand and Tridentate Coligands of Different N and S Donor Atom Combinations","Inorganic Chemistry","2000","39","","2178","2184","10.1021/ic991341k","","","1.5418","CuKα","","0.0508","0.0398","","0.1239","0.1125","","","","1.143","1.177","1.177","","","","","has coordinates","179312","2020-10-21","18:00:00",""
"4321311","9.401","0.005","14.712","0.002","29.956","0.006","90","","90","","90","","4143","2","293","2","293","2","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C13 H15 F4 Fe N3 O2 P4 S -","- C13 H15 F4 Fe N3 O2 P4 S -","- C104 H120 F32 Fe8 N24 O16 P32 S8 -","8","1","","K. Muralidharan; N. Dastagiri Reddy; Anil J. Elias","Syntheses of Novel Exo and Endo Isomers of Ansa-Substituted Fluorophosphazenes and Their Facile Transformations into Spiro Isomers in the Presence of Fluoride Ions","Inorganic Chemistry","2000","39","","3988","3994","10.1021/ic0001863","","","0.71073","MoKα","","0.0961","0.044","","","0.1395","0.1861","","","","","","1.236","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321702","22.3075","0.001","23.1272","0.001","23.3584","0.001","90","","90","","90","","12050.8","0.9","193","","193","","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C59 H55 Cl3 F12 N P6 Re -","- C59 H55 Cl3 F12 N P6 Re -","- C472 H440 Cl24 F96 N8 P48 Re8 -","8","1","","Annette L. Suing; Charlotte R. Dewan; Peter S. White; H. Holden Thorp","Ethanol Oxidation by Imidorhenium(V) Complexes: Formation of Amidorhenium(III) Complexes","Inorganic Chemistry","2000","39","","6080","6085","10.1021/ic0007299","","","0.71073","MolybdenumKα","","0.083","0.057","","0.047","0.044","","","","","2.77","2.77","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322290","19.803","0.003","22.446","0.003","26.072","0.004","90","0.01","90","0.01","90","0.01","11589","3","153","5","153","5","","","","","","","","6","P c a b","-P 2bc 2ac","61","","(THF)8Sm8S6(SePh)12","","- C52 H62 O4 S3 Se6 Sm4 -","- C52 H62 O4 S3 Se6 Sm4 -","- C416 H496 O32 S24 Se48 Sm32 -","8","1","","Deborah Freedman; Thomas J. Emge; John G. Brennan","(THF)8Ln8E6(EPh)12 Cluster Reactivity: Systematic Control of Ln, E, EPh, and Neutral Donor Ligands","Inorganic Chemistry","1999","38","","4400","4404","10.1021/ic9905493","","","0.71073","MoKα","","0.1063","0.0439","","","0.085","0.093","","","","","","1.029","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322715","19.546","0.003","21.745","0.004","18.114","0.003","90","","90","","90","","7699","2","102","","102","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C28.5 H64 O5 P4 W2 -","- C28.9 O5 P4 W2 -","- C231.2 O40 P32 W16 -","8","1","","Malcolm H. Chisholm; Kirsten Folting; Keith S. Kramer; William E. Streib","Preparation and Characterization of (iPrO)4WW(η2-dmpe)2(CO), (η1-O2CH)(iPrO)4WW(η2-dmpe)2(H), [H(η2-dmpe)WWO2]2(μ-O), and W2(O)4(μ-O)[W(η2-dmpe)2CO]2 (dmpe = Bisdimethylphosphinomethane), Compounds with W-W Bonds between Metal Atoms in Greatly Differing Oxidation States","Inorganic Chemistry","1998","37","","1549","1554","10.1021/ic9705249","","","0.71069","MoKα","","","0.0511","","","","0.0463","","","","","","1.1371","","","","has coordinates,has disorder","179330","2020-10-21","18:00:00",""
"4322993","15.599","0.003","15.685","0.002","15.763","0.003","90","","90","","90","","3856.7","1.2","210","1","210","1","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C12 H27 B F4 O3 Pt -","- C12 H27 B F4 O3 Pt -","- C96 H216 B8 F32 O24 Pt8 -","8","1","","Henrik Junicke; Clemens Bruhn; Dieter Ströhl; Ralph Kluge; Dirk Steinborn","The First Platinum(IV) Complexes with Glucopyranoside Ligands. A New Coordination Mode of Carbohydrates","Inorganic Chemistry","1998","37","","4603","4606","10.1021/ic9801692","","","0.71073","MoKα","","0.0691","0.0387","","0.0987","0.0886","","","","0.974","1.094","1.094","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4323133","8.443","0.002","13.094","0.004","15.484","0.004","90","","90","","90","","1711.8","0.8","296.2","","296","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- Co2 H8 O11 P2 -","- Co2 O11 P2 -","- Co16 O88 P16 -","8","1","","Nobuaki Hamanaka; Hideo Imoto","Syntheses, Structures, and Magnetic Properties of Metal(II) Phosphates with M(OH)(PO4)2- Layers (M = Ni, Co, Mg)","Inorganic Chemistry","1998","37","","5844","5850","10.1021/ic980595n","","","0.7107","MoKα","","0.1034","0.0791","","0.0807","0.0745","","","","1.251","1.409","1.409","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323634","9.426","0.001","9.909","0.001","41.875","0.001","90","","90","","90","","3911.2","0.6","24","","24","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C26 H22 Fe2 -","- C26 H22 Fe2 -","- C208 H176 Fe16 -","8","1","","Cendrine Patoux; Christophe Coudret; Jean-Pierre Launay; Christian Joachim; André Gourdon","Topological Effects on Intramolecular Electron Transfer via Quantum Interference","Inorganic Chemistry","1997","36","","5037","5049","10.1021/ic970013m","","","0.71069","MoKα","","","0.0594","","","0.0517","","","","","0.9716","0.9716","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329314","12.211","0.005","11.481","0.004","22.266","0.009","90","","90","0.009","90","","3122","2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C5 H13 K2 N O13 V2 -","- C5 H13 K2 N O13 V2 -","- C40 H104 K16 N8 O104 V16 -","8","1","","C. Gabriel; E. Kioseoglou; J. Venetis; V. Psycharis; C. P. Raptopoulou; A. Terzis; G. Voyiatzis; M. Bertmer; C. Mateescu; A. Salifoglou","pH-Specific Structural Speciation of the Ternary V(V)-Peroxido-Betaine System: A Chemical Reactivity-Structure Correlation","Inorganic Chemistry","2012","51","","6056","6069","10.1021/ic2025878","","","0.71073","MoKα","","0.0507","0.0395","","","0.1013","0.1086","","","","","","1.061","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4331378","18.2948","0.0002","18.8402","0.0003","25.1512","0.0004","90","","90","","90","","8669.1","0.2","150","2","150","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C82 H128.83 Be2 Cl2 K2 N4 O12 -","- C82 H128.832 Be2 Cl2 K2 N4 O12 -","- C328 H515.328 Be8 Cl8 K8 N16 O48 -","4","0.5","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.1082","0.058","","","0.1392","0.1645","","","","","","1.016","","","","has coordinates,has disorder","179416","2020-10-21","18:00:00",""
"4332389","7.577","0.005","12.608","0.005","25.024","0.005","90","","90","","90","","2390.6","1.9","173","2","173","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C28 H18 Mo2 O6 -","- C28 H18 Mo2 O6 -","- C112 H72 Mo8 O24 -","4","0.5","","Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard","Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters†","Inorganic Chemistry","2006","45","15","5852","5866","10.1021/ic060318d","","","0.71069","MoKα","","0.0507","0.0271","","","0.0611","0.0719","","","","","","0.872","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332706","12.908","0.003","12.997","0.003","22.956","0.016","90","","90","","90","","3851","3","293","2","293","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C11 H25 Cl3 Co N3 O4 S2 -","- C11 H25 Cl3 Co N3 O4 S2 -","- C88 H200 Cl24 Co8 N24 O32 S16 -","8","1","","Aullón, Gabriel; Bernhardt, Paul V.; Bozoglián, Fernando; Font-Bardía, Mercè; Macpherson, Brendan P.; Martínez, Manuel; Rodríguez, Carlos; Solans, Xavier","Isomeric Distribution and Catalyzed Isomerization of Cobalt(III) Complexes with Pentadentate Macrocyclic Ligands. Importance of Hydrogen Bonding","Inorganic Chemistry","2006","45","21","8551","8562","10.1021/ic060720s","","","0.71073","MoKα","","0.1867","0.0313","","","0.0469","0.0692","","","","","","0.76","","","","has coordinates","179430","2020-10-21","18:00:00",""
"4333519","12.0147","0.0002","14.315","0.0003","14.356","0.0003","90","","90","","90","","2469.09","0.08","298","","298","","","","","","","","","5","P c a b","-P 2bc 2ac","61","K[N(SO2F)2]","","","- F2 K N O4 S2 -","- F2 K N O4 S2 -","- F32 K16 N16 O64 S32 -","16","2","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.035","0.0292","","","0.0763","0.0799","","","","","","1.101","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333520","11.9661","0.0003","13.912","0.0004","14.3913","0.0005","90","","90","","90","","2395.75","0.12","113","","113","","","","","","","","","5","P c a b","-P 2bc 2ac","61","K[N(SO2F)2]","","","- F2 K N O4 S2 -","- F2 K N O4 S2 -","- F32 K16 N16 O64 S32 -","16","2","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.0239","0.0229","","","0.0623","0.0628","","","","","","1.116","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4338635","11.6641","0.0003","29.3264","0.0007","29.9414","0.0009","90","","90","","90","","10241.9","0.5","200","2","200","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C24 H38 Al N P2 -","- C24 H38 Al N P2 -","- C384 H608 Al16 N16 P32 -","16","2","","Lee, Pei-Ying; Liang, Lan-Chang","Synthesis and Structural Characterization of Five-Coordinate Aluminum Complexes Containing Diarylamido Diphosphine Ligands","Inorganic chemistry","2009","48","12","5480","5487","10.1021/ic802030d","","","0.71073","MoKα","","0.2059","0.0978","","","0.22","0.2811","","","","","","1.118","","","","has coordinates,has disorder","210021","2020-10-21","18:00:00",""
"4342618","7.1404","0.0006","7.3032","0.0006","21.6631","0.0019","90","","90","","90","","1129.68","0.17","110","2","110","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.0643","0.0632","","","0.1815","0.1836","","","","","","1.61","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342620","7.101","","7.298","","21.66","","90","","90","","90","","1122.49","","110","2","110","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.1004","0.0936","","","0.3117","0.3161","","","","","","2.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342624","7.103","0.004","7.311","0.004","21.688","0.013","90","","90","","90","","1126.3","1.1","92","2","92","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.0996","0.0943","","","0.2793","0.2823","","","","","","1.258","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342625","7.185","0.006","7.252","0.006","21.683","0.017","90","","90","","90","","1129.8","1.6","97","2","97","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.1525","0.1453","","","0.3244","0.3273","","","","","","1.279","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342626","7.206","0.005","7.283","0.005","21.746","0.015","90","","90","","90","","1141.3","1.4","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.5","","Han, Jing; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","High Magnetic Hardness for the Canted Antiferromagnetic, Ferroelectric, and Ferroelastic Layered Perovskite-like (C2H5NH3)2[Fe(II)Cl4].","Inorganic chemistry","2015","54","6","2866","2874","10.1021/ic5030229","","","0.71073","MoKα","","0.1373","0.1317","","","0.2903","0.2923","","","","","","1.363","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4345224","17.1442","0.0008","18.398","0.0007","20.6284","0.001","90","","90","","90","","6506.6","0.5","298","2","298.15","","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C40 H32 Cu2 N8 O42 Si W12 -","- C40 H32 Cu2 N8 O42 Si W12 -","- C160 H128 Cu8 N32 O168 Si4 W48 -","4","0.5","","Li, Yun-Wu; Guo, Ling-Yu; Su, Hai-Feng; Jagodič, Marko; Luo, Ming; Zhou, Xiao-Qi; Zeng, Su-Yuan; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Two Unprecedented POM-Based Inorganic-Organic Hybrids with Concomitant Heteropolytungstate and Molybdate.","Inorganic chemistry","2017","56","5","2481","2489","10.1021/acs.inorgchem.6b02601","","","0.71073","MoKα","","0.0986","0.0838","","","0.1799","0.1851","","","","","","1.394","","","","has coordinates","194797","2020-10-21","18:00:00",""
"4501041","19.0455","0.0015","19.2388","0.0012","24.4262","0.001","90","","90","","90","","8950.1","1","208","2","208","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C50 H46 Cu F6 N2 O P3 -","- C50 H46 Cu F6 N2 O P3 -","- C400 H368 Cu8 F48 N16 O8 P24 -","8","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1409","0.0762","","0.1614","0.1376","0.1614","","","1.083","","","1.083","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501690","6.1189","0.0002","13.6856","0.0005","36.8482","0.0015","90","","90","","90","","3085.7","0.2","90","2","90","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C15 H15 F2 N3 O3 -","- C15 H15 F2 N3 O3 -","- C120 H120 F16 N24 O24 -","8","1","","Long, Sihui; Li, Tonglei","Enforcing Molecule’s π-Conjugation and Consequent Formation of the Acid−Acid Homosynthon over the Acid−Pyridine Heterosynthon in 2-Anilinonicotinic Acids","Crystal Growth & Design","2010","10","6","2465","","10.1021/cg100227s","","","0.71073","MoKα","","0.1868","0.06","","","0.1454","0.1977","","","","","","0.876","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502383","14.02","0.005","14.821","0.007","16.23","0.006","90","","90","","90","","3372","2","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C6 H24 Mo N6 Ni S4 -","- C6 H24 Mo N6 Ni S4 -","- C48 H192 Mo8 N48 Ni8 S32 -","8","1","","Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M.","Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni)","Crystal Growth & Design","2010","10","2","669","","10.1021/cg901087x","","","0.71073","MoKα","","0.0718","0.0411","","","0.0918","0.1076","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502384","14.054","0.004","14.856","0.004","16.218","0.004","90","","90","","90","","3386.1","1.6","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C6 H24 Co Mo N6 S4 -","- C6 H24 Co Mo N6 S4 -","- C48 H192 Co8 Mo8 N48 S32 -","8","1","","Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M.","Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni)","Crystal Growth & Design","2010","10","2","669","","10.1021/cg901087x","","","0.71073","MoKα","","0.0406","0.0297","","","0.0729","0.0799","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502385","14.305","0.008","14.786","0.008","16.348","0.006","90","","90","","90","","3458","3","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C6 H24 Mn Mo N6 S4 -","- C6 H24 Mn Mo N6 S4 -","- C48 H192 Mn8 Mo8 N48 S32 -","8","1","","Tian, Hengfeng; Iliff, Hadley A.; Moore, Lee J.; Oertel, Catherine M.","Structure and Polymorphism in M(ethylenediamine)3MoS4(M = Mn, Co, Ni)","Crystal Growth & Design","2010","10","2","669","","10.1021/cg901087x","","","0.71073","MoKα","","0.0402","0.0308","","","0.0794","0.0861","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502492","8.0222","0.0008","18.1099","0.0018","21.954","0.002","90","","90","","90","","3189.5","0.5","291","2","291","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C6 H8 Cd2 N10 O4 -","- C6 H8 Cd2 N10 O4 -","- C48 H64 Cd16 N80 O32 -","8","1","","Li, Dong-Ping; Zhou, Xin-Hui; Liang, Xiao-Qiang; Li, Cheng-Hui; Chen, Chao; Liu, Jian; You, Xiao-Zeng","Novel Structural Diversity of Triazolate-Based Coordination Polymers Generated Solvothermally with Anions","Crystal Growth & Design","2010","10","5","2136","","10.1021/cg9012894","","","0.71073","MoKα","","0.0818","0.0804","","","0.1821","0.1827","","","","","","1.285","","","","has coordinates,has disorder","179555","2020-10-21","18:00:00",""
"4509240","13.6845","0.0001","7.3769","0.0001","25.9675","0.0003","90","","90","","90","","2621.4","0.05","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C16 H14 N2 Ni O2 -","- C16 H14 N2 Ni O2 -","- C128 H112 N16 Ni8 O16 -","8","1","","Siegler, Maxime A.; Lutz, Martin","Ni(salen): a System That Forms Many Solvates with Interacting Ni Atoms","Crystal Growth & Design","2009","9","2","1194","","10.1021/cg801109n","","","0.71073","MoKα","","0.0201","0.0186","","","0.0522","0.0532","","","","","","1.067","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4510904","7.3066","0.0008","9.8027","0.0005","16.057","0.001","90","","90","","90","","1150.07","0.16","293","2","293","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C10 H10 Cl2 N2 O2 -","- C10 H10 Cl2 N2 O2 -","- C40 H40 Cl8 N8 O8 -","4","0.5","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","0.0835","0.04","","","0.0718","0.0853","","","","","","1.075","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510931","7.2028","0.0002","11.7764","0.0003","17.1677","0.0005","90","","90","","90","","1456.22","0.07","100","2","100","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Thomas, Lynne H.; Wales, Craig; Zhao, Lihua; Wilson, Chick C.","Paracetamol Form II: An Elusive Polymorph through Facile Multicomponent Crystallization Routes","Crystal Growth & Design","2011","11","5","1450","","10.1021/cg2002018","","","0.71073","MoKα","","0.0593","0.0471","","","0.1306","0.1394","","","","","","1.206","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511525","10.6433","0.0007","17.6587","0.0009","39.085","0.003","90","","90","","90","","7345.9","0.8","296","2","296","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C33 H20 O9 -","- C33 H20 O9 -","- C264 H160 O72 -","8","1","","Clews, Peter K.; Douthwaite, Richard E.; Kariuki, Benson M.; Moore, Terry; Taboada, Miguel","Layered Compounds Incorporating 9,9‘-Spirobifluorene: Hydrogen-Bonded and Metal−Organic Networks Derived from 9,9‘-Spirobifluorene-2,2‘,7,7‘-tetracarboxylic Acid","Crystal Growth & Design","2006","6","9","1991","","10.1021/cg060007d","","","1.54178","CuKα","","0.2683","0.1919","","","0.4323","0.4975","","","","","","1.492","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4517566","16.827","0.002","16.972","0.002","21.654","0.003","90","","90","","90","","6184.1","1.3","296","2","296.15","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C320 H256 N16 O16 -","- C320 H256 N16 O16 -","- C320 H256 N16 O16 -","1","0.125","","Xu, Letian; Zhou, Kun; Ma, Huili; Lv, Anqi; Pei, Dandan; Li, Guoping; Zhang, Yanfeng; An, Zhongfu; Li, Ang; He, Gang","Ultralong Organic Phosphorescent Nanocrystals with Long-Lived Triplet Excited States for Afterglow Imaging and Photodynamic Therapy.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c04005","","","0.71073","MoKα","","0.146","0.0842","","","0.2582","0.3167","","","","","","1.043","","","","has coordinates","250686","2020-10-21","18:00:00",""
"5000128","10.457","0.002","10.387","0.002","32.345","0.006","90","","90","","90","","3513.21","","","","","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C17 H19 Cl F3 N O -","- C17 H19 Cl F3 N O -","- C136 H152 Cl8 F24 N8 O8 -","8","1","","Robertson, David W.; Jones, Noel D.; Swartzendruber, John K.; Yang, Kuo S.; Wong, David T.","Molecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor","Journal of Medicinal Chemistry","1988","31","1","185","189","10.1021/jm00396a030","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000308","13.707","0.003","14.459","0.004","18.973","0.005","90","","90","","90","","3760.1","1.7","","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C15 H23 Cl3 P2 Zr -","- C18 H23 P2 Zr -","- C144 H184 P16 Zr8 -","8","1","","","","","","","","","","","","","0.71069","MoKα","","","0.0431","","","","0.0393","","","","","","1.1607","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5900032","6.546","","7.847","","6.086","","90","","90","","90","","312.62","","","","","","","","","","","","","3","P c a b","","61","","Ethanedioic acid of form alpha","","- C2 H2 O4 -","- C2 H2 O4 -","- C8 H8 O16 -","4","0.5","","","","Strukturbericht","","3","","671","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000390","8.343","","13.093","","15.384","","90","","90","","90","","1680.47","","","","","","","","","","","","","4","P c a b","","","","","","- Co2 H8 O11 P2 -","","","","","","Hamanaka, N.; Imoto, H.","Syntheses, structures, and magnetic properties of metal(II) phosphates with M(OH)(PO4)(2): Layers (M = Ni, Co, Mg)","Inorganic Chemistry","1998","37","","5844","5850","10.1021/ic980595n","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7001884","6.5194","0.0001","12.1847","0.0002","19.5707","0.0003","90","","90","","90","","1554.64","0.04","173","","173","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","0.5","","Constable, Edwin C.; Redondo, Ana Hernandez; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Copper(i) complexes of 6,6′-disubstituted 2,2′-bipyridine dicarboxylic acids: new complexes for incorporation into copper-based dye sensitized solar cells (DSCs)","Dalton Transactions","2009","","33","6634","6644","10.1039/b901346f","","","0.71073","MoKα","","0.0641","0.0408","","0.0416","0.0349","0.0349","","","","","","1.1205","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7002774","13.4819","0.0001","21.4266","0.0002","21.6732","0.0003","90","","90","","90","","6260.76","0.11","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C33 H48 N2 O Sr -","- C66 H96 N4 O2 Sr2 -","- C264 H384 N16 O8 Sr8 -","4","0.5","","Crimmin, Mark R.; Barrett, Anthony G. M.; Hill, Michael S.; MacDougall, Dugald J.; Mahon, Mary F.; Procopiou, Panayiotis A.","β-Diketiminate C‒H activation with heavier group 2 alkyls","Dalton Transactions","2009","","44","9715","9717","10.1039/b917466b","","","0.71073","MoKα","","0.0774","0.0402","","","0.0827","0.0965","","","","","","1.026","","","","has coordinates,has disorder","179731","2020-10-21","18:00:00",""
"7004244","9.43","0.0001","12.031","0.0002","21.6724","0.0003","90","","90","","90","","2458.78","0.06","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C11 H13 Hg N O S2 -","- C11 H13 Hg N O S2 -","- C88 H104 Hg8 N8 O8 S16 -","8","1","","Singh, Nanhai; Kumar, Abhinav; Molloy, Kieran C.; Mahon, Mary F.","Syntheses, crystal and molecular structures, and properties of some new phenylmercury(ii) dithiolate complexes","Dalton Transactions","2008","","37","4999","5007","10.1039/b804635b","","","0.71073","MoKα","","0.0411","0.0312","","","0.0761","0.0812","","","","","","1.01","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7004687","12.3187","0.0011","12.7608","0.0012","26.99","0.003","90","0.008","90","0.008","90","0.007","4242.7","0.7","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C16 H34 Co P3 S -","- C16 H34 Co P3 S -","- C128 H272 Co8 P24 S8 -","8","1","","Beck, Robert; Frey, Markus; Camadanli, Sebnem; Klein, Hans-Friedrich","Four- and five-membered cobaltacycles by regioselective cyclometallation of benzyl sulfide derivatives via Co(v) intermediates","Dalton Transactions","2008","","37","4981","4983","10.1039/b810272d","","","0.71073","MoKα","","0.0665","0.0466","","","0.1231","0.1344","","","","","","1.111","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7005125","39.276","0.008","8.758","0.002","14.875","0.003","90","","90","","90","","5116.7","1.9","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C50 H62 N6 P2 Pd2 S2 -","- C50 H62 N6 P2 Pd2 S2 -","- C200 H248 N24 P8 Pd8 S8 -","4","0.5","","Chang, Xiaohong; Kim, Mi-Young; Kim, Yong-Joo; Huh, Hyun Sue; Lee, Soon W.","Dinuclear palladium-azido complexes containing thiophene derivatives: reactivity toward organic isocyanides and isothiocyanates.","Dalton transactions (Cambridge, England : 2003)","2007","","7","792","801","10.1039/b616901e","","","0.71073","MoKα","","0.061","0.0389","","","0.0917","0.1053","","","","","","1.003","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7006584","17.217","0.005","6.42","0.005","17.644","0.005","90","","90","","90","","1950.2","1.7","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C20 H18 Cu2 N6 O4 -","- C20 H18 Cu2 N6 O4 -","- C80 H72 Cu8 N24 O16 -","4","0.5","","Mukherjee, Jhumpa; Mukherjee, Rabindranath","Reaction with dioxygen of a Cu(I) complex of 1-benzyl-[3-(2'-pyridyl)]pyrazole triggers ethyl acetate hydrolysis: acetato-/pyrazolato-, dihydroxo- and diacetato-bridged Cu(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1611","1621","10.1039/b512086a","","","0.71073","MoKα","","0.0366","0.0322","","","0.0892","0.0922","","","","","","1.074","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7007570","14.46","0.003","20.302","0.004","24.218","0.005","90","","90","","90","","7110","3","150","2","150","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C26 H63 P5 Pt2 -","- C26 H63 P5 Pt2 -","- C208 H504 P40 Pt16 -","8","1","","Jones, Cameron; Schulten, Christian; Stasch, Andreas","The first complexes and cyclodimerisations of methylphosphaalkyne (P[triple bond]CMe).","Dalton transactions (Cambridge, England : 2003)","2006","","31","3733","3735","10.1039/b607489h","","","0.71073","MoKα","","0.0575","0.0484","","","0.1112","0.1147","","","","","","1.245","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7008795","8.4387","0.0012","17.711","0.003","18.242","0.004","90","","90","","90","","2726.4","0.8","294","2","294","2","","","","","","","synthesis as described","3","P c a b","-P 2bc 2ac","61","","","","- C13 H18 N6 -","- C13 H18 N6 -","- C104 H144 N48 -","8","1","","García-Raso, Angel; Fiol, Juan J.; Tasada, Andrés; Albertí, Francisca M.; Molins, Elies; Basallote, Manuel G.; Máñez, María A.; Fernández-Trujillo, María J.; Sánchez, David","Ag(i) complexes with alkylidene-bis(2-aminopyrimidines) as building units for discrete metallomacrocyclic frames. A structural and solution study","Dalton Transactions","2005","","23","3763","","10.1039/b508260a","","x-ray","0.71073","MoKα","","0.1363","0.0423","","","0.1103","0.1372","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7009123","15.1833","0.0014","12.2873","0.0014","16.861","0.002","90","0.009","90","0.008","90","0.008","3145.6","0.6","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C12 H17 Mo N3 S3 -","- C12 H16 Mo N3 S3 -","- C96 H128 Mo8 N24 S24 -","8","1","","Davies, Sian C.; Hughes, David L.; Richards, Raymond L.; Sanders, J. Roger","Molybdenum and tungsten complexes of the N(CH2CH2S)33− (NS3) ligand with oxide, sulfide, diazenide, hydrazide and nitrosyl co-ligands","Journal of the Chemical Society, Dalton Transactions","2000","","5","719","","10.1039/a908777j","","","0.71069","MoKα","","0.103","0.0383","","0.1137","0.0852","","","","0.994","1.142","1.142","","","","","has coordinates,has disorder","179795","2020-10-21","18:00:00",""
"7009534","14.981","0.004","16.923","0.004","21.999","0.007","90","","90","","90","","5577","3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C48 H48 Ag4 N8 O16 S4 -","- C48 H48 Ag4 N8 O16 S4 -","- C192 H192 Ag16 N32 O64 S16 -","4","0.5","","Su, Cheng-Yong; Liao, Sen; Zhu, Hai-Liang; Kang, Bei-Sheng; Chen, Xiao-Ming; Liu, Han-Qin","Silver(I) complexes with quinoline based linear multidentate ligands: self-assembly of sulfur-bridged tetrametallotricyclic boxes †","Journal of the Chemical Society, Dalton Transactions","2000","","13","1985","","10.1039/b001723j","","","0.71073","MoKα","","0.1","0.0506","","","0.1035","0.1238","","","","","","1.027","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7010610","11.357","0.002","12.311","0.002","19.422","0.003","90","","90","","90","","2715.5","0.8","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C7 H15 Cd N5 Se2 -","- C7 H15 Cd N5 Se2 -","- C56 H120 Cd8 N40 Se16 -","8","1","","Maji, Tapas Kumar; Sain, Saugata; Mostafa, Golam; Das, Debasis; Lu, Tian-Huey; Chaudhuri, Nirmalendu Ray","Synthesis and crystal structure of selenocyanato bridged two dimensional supramolecular coordination compounds of cadmium(ii)Electronic supplementary information (ESI) available: Corey–Pauling–Koltun diagram of 2. See http://www.rsc.org/suppdata/dt/b1/b101064f/","Journal of the Chemical Society, Dalton Transactions","2001","","21","3149","","10.1039/b101064f","","","0.7093","","","0.0769","0.0392","","0.0933","0.0832","","","","1.011","1.113","1.113","","","","","has coordinates","179810","2020-10-21","18:00:00",""
"7014783","23.3121","0.001","9.3925","0.0004","27.8933","0.0015","90","","90","","90","","6107.5","0.5","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C34 H33 Br Cl2 P2 W -","- C34 H33 Br Cl2 P2 W -","- C272 H264 Br8 Cl16 P16 W8 -","8","1","","Lancashire, Hannah N.; Brown, Neil J.; Carthy, Laura; Collison, David; Fitzgerald, Emma C.; Edge, Ruth; Helliwell, Madeleine; Holden, Mark; Low, Paul J.; McDouall, Joseph J. W.; Whiteley, Mark W.","Synthesis, spectroscopy and electronic structure of the vinylidene and alkynyl complexes [W(C=CHR)(dppe)(η-C₇H₇)](+) and [W(C≡CR)(dppe)(η-C₇H₇](n+) (n = 0 or 1).","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1267","1278","10.1039/c0dt01150a","","","0.71069","MoKα","","0.1054","0.0731","","","0.2154","0.2322","","","","","","1.083","","","","has coordinates","179851","2020-10-21","18:00:00",""
"7014850","8.8637","0.0019","10.15","0.002","40.261","0.009","90","","90","","90","","3622.1","1.3","100","2","100","2","","","","","","","synthesis as described","4","P c a b","-P 2bc 2ac","61","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C152 H248 N8 O16 -","8","1","","Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","523","534","10.1039/c0dt01219j","","x-ray","0.71073","MoKα","","0.098","0.0682","","","0.1359","0.1481","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015192","7.732","0.0003","16.2417","0.0007","22.1839","0.001","90","","90","","90","","2785.9","0.2","100","2","100","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C18 H12 N2 O Pd -","- C18 H12 N2 O Pd -","- C144 H96 N16 O8 Pd8 -","8","1","","Santana, M. Dolores; García-Bueno, Rocío; García, Gabriel; Sánchez, Gregorio; García, Joaquín; Pérez, José; García, Luis; Serrano, J. Luis","Synthesis and luminescence properties of cyclopalladated complexes with S^N and O^N donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","14","3537","3546","10.1039/c0dt01337d","","","0.71073","MoKα","","0.0377","0.0361","","","0.0905","0.0916","","","","","","1.106","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015722","7.389","0.0001","15.962","0.0003","17.759","0.0004","90","","90","","90","","2094.55","0.07","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C18 H20 Ag2 N4 O8 -","- C18 H20 Ag2 N4 O8 -","- C72 H80 Ag8 N16 O32 -","4","0.5","","Burrows, Andrew D.; Kelly, David J.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.","Silver coordination networks and cages based on a semi-rigid bis(isoxazolyl) ligand.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5483","5493","10.1039/c1dt10029g","","","0.71073","MoKα","","0.0642","0.0359","","","0.0868","0.1014","","","","","","1.042","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7016669","16.0204","0.0003","19.2924","0.0006","25.0918","0.0007","90","","90","","90","","7755.2","0.4","150","1","150","1","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C43 H43 Cl N4 Ni O7 -","- C43 H43 Cl N4 Ni O7 -","- C344 H344 Cl8 N32 Ni8 O56 -","8","1","","Grubel, Katarzyna; Ingle, Gajendrasingh K.; Fuller, Amy L.; Arif, Atta M.; Berreau, Lisa M.","Influence of water on the formation of O(2)-reactive divalent metal enolate complexes of relevance to acireductone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10609","10620","10.1039/c1dt10587f","","","0.71073","MoKα","","0.1242","0.0552","","","0.1015","0.1275","","","","","","1.015","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016915","17.395","0.002","13.956","0.002","20.464","0.002","90","","90","","90","","4967.9","1","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C27 H19 Br N3 O4 Re -","- C27 H19 Br N3 O4 Re -","- C216 H152 Br8 N24 O32 Re8 -","8","1","","Griffiths, D. Vaughan; Cheong, Yuen-Ki; Duncanson, Philip; Motevalli, Majid","Studies of the reactions of tripodal pyridine-containing ligands with Re(CO)(5)Br leading to rheniumtricarbonyl complexes with potential biomedical applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10215","10228","10.1039/c1dt11020a","","","0.71073","MoKα","","0.1182","0.0841","","","0.1816","0.2033","","","","","","1.096","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7017107","10.04","0.0005","22.875","0.0014","31.745","0.0018","90","","90","","90","","7290.7","0.7","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C39 H55 Al N2 O2 -","- C39 H55 Al N2 O2 -","- C312 H440 Al8 N16 O16 -","8","1","","Whitelaw, Emma L.; Loraine, Gaynor; Mahon, Mary F.; Jones, Matthew D.","Salalen aluminium complexes and their exploitation for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11469","11473","10.1039/c1dt11438g","","","0.71073","MoKα","","0.1157","0.0583","","","0.1168","0.1393","","","","","","1.041","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7018671","11.309","0.0003","23.9659","0.0007","26.7843","0.0006","90","","90","","90","","7259.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C41 H41 Cl2 O2 P Ru -","- C41 H41 Cl2 O2 P Ru -","- C328 H328 Cl16 O16 P8 Ru8 -","8","1","","Kabro, Anzhelika; Ghattas, Ghazi; Roisnel, Thierry; Fischmeister, Cédric; Bruneau, Christian","New ruthenium metathesis catalysts with chelating indenylidene ligands: synthesis, characterization and reactivity.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3695","3700","10.1039/c2dt12271e","","x-ray","0.71073","MoKα","","0.0466","0.0339","","","0.0824","0.0884","","","","","","1.035","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7019795","17.563","0.0015","30.229","0.002","31.886","0.003","90","","90","","90","","16929","2","293","2","293","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C45 H45 Mo12 N3 O46 P Zn4 -","- C9 H3 Mo12 O46 P Zn4 -","- C72 H24 Mo96 O368 P8 Zn32 -","8","1","","Rodriguez-Albelo, L Marleny; Rousseau, Guillaume; Mialane, Pierre; Marrot, Jérôme; Mellot-Draznieks, Caroline; Ruiz-Salvador, A Rabdel; Li, Shiwen; Liu, Rongji; Zhang, Guangjin; Keita, Bineta; Dolbecq, Anne","ε-Keggin-based coordination networks: Synthesis, structure and application toward green synthesis of polyoxometalate@graphene hybrids.","Dalton transactions (Cambridge, England : 2003)","2012","41","33","9989","9999","10.1039/c2dt30537b","","","0.71073","MoKα","","0.0867","0.0414","","","0.1303","0.1408","","","","","","0.961","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7022572","11.061","0.0002","12.933","0.0002","18.269","0.0002","90","","90","","90","","2613.42","0.07","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C22 H46 Cu2 N4 O2 -","- C22 H46 Cu2 N4 O2 -","- C88 H184 Cu8 N16 O8 -","4","0.5","","Willcocks, Alexander M.; Pugh, Thomas; Hamilton, Jeff A.; Johnson, Andrew L.; Richards, Stephen P.; Kingsley, Andrew J.","CVD of pure copper films from novel iso-ureate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5554","5565","10.1039/c3dt00104k","","","0.71073","MoKα","","0.038","0.0266","","","0.0635","0.0687","","","","","","1.076","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022808","8.6929","0.0002","52.4298","0.0017","19.5627","0.0007","90","","90","","90","","8916","0.5","200","2","200","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C42 H61 N4 O3 Si2 Y -","- C42 H61 N4 O3 Si2 Y -","- C336 H488 N32 O24 Si16 Y8 -","8","1","","Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5890","5901","10.1039/c3dt33069a","","","0.7107","MoKα","","0.1209","0.0986","","","0.1725","0.181","","","","","","1.193","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7024699","22.4713","0.0009","29.6425","0.0013","39.18","0.0014","90","","90","","90","","26098","1.8","100","2","100","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C150 H118 La2 N2 O9 Si4 -","- C150 H118 La2 N2 O9 Si4 -","- C1200 H944 La16 N16 O72 Si32 -","8","1","","Grunova, Ekaterina; Kirillov, Evgueni; Roisnel, Thierry; Carpentier, Jean-François","Group 3 metal complexes supported by tridentate pyridine- and thiophene-linked bis(naphtholate) ligands: synthesis, structure, and use in stereoselective ring-opening polymerization of racemic lactide and beta-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6739","6752","10.1039/b920283h","","x-ray","0.71073","MoKα","","0.1255","0.0828","","","0.1829","0.2032","","","","","","1.032","","","","has coordinates","179951","2020-10-21","18:00:00",""
"7027442","11.4906","0.0002","20.0826","0.0004","31.2742","0.0005","90","","90","0.002","90","","7216.9","0.2","100","2","100","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C38 H59 O2 Sb -","- C38 H59 O2 Sb -","- C304 H472 O16 Sb8 -","8","1","","Jones, Cameron; Steed, Jonathan W.; Thomas, Ryan C.","Compounds containing λ3,σ2-SbC bonds: synthesis and structural characterisation of the first stiba-enol, Mes*C(O)SbC(OH)Mes* (Mes* = C6H2But3-2,4,6) and a 2,3-distibabutadiene, {Mes(Me3SiO)CSb}2 (Mes = C6H2Me3-2,4,6) †","Journal of the Chemical Society, Dalton Transactions","1999","","10","1541","","10.1039/a902791b","","","0.7107","MoKα","","0.0632","0.0423","","","0.0833","0.0894","","","","","","1.079","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7030864","10.50568","0.00014","10.9861","0.00015","30.33966","0.00042","90","","90","","90","","3501.7","0.08","294","","294","2","","","1000","","","","","5","P c a b","-P 2bc 2ac","61","Bistetramethylammonium hydrogencyclo-triphosphate","Bistetramethylammonium hydrogencyclo-triphosphate","","- C8 H25 N2 O9 P3 -","- C8 H25 N2 O9 P3 -","- C64 H200 N16 O72 P24 -","8","1","","Mangstl, Martin; Celinski, Vinicius R.; Johansson, Sebastian; Weber, Johannes; An, Feng; Schmedt Auf der Günne, Jörn","Low temperature synthesis of ionic phosphates in dimethyl sulfoxide.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","10033","10039","10.1039/c4dt00544a","powder diffraction","x-ray","1.5406","CuKα1","","","0.03296","","","","0.04483","","0.995","1.194","","","","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7031615","20.543","0.006","24.132","0.004","28.016","0.003","90","","90","","90","","13889","5","100","2","100","2","","","","","","","","8","P c a b","-P 2bc 2ac","61","[Ru([9]aneS~3~)(cpp)(PTAH)][Cl~2~]","","","- C44 H62 Cl4 N12 O16.5 P2 Ru2 S6 -","- C44 H62 Cl4 N12 O16.5 P2 Ru2 S6 -","- C352 H496 Cl32 N96 O132 P16 Ru16 S48 -","8","1","","Iengo, E.; Demitri, N.; Balducci, G.; Alessio, E.","An irresolute linker: separation, and structural and spectroscopic characterization of the two linkage isomers of a Ru(ii)-(2-(2'-pyridyl)pyrimidine-4-carboxylic acid) complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12160","12163","10.1039/c4dt01282h","","","0.7","Synchrotron","","0.0413","0.0373","","","0.097","0.1001","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7033285","9.6634","0.0008","10.5339","0.0014","37.35","0.004","90","","90","","90","","3802","0.7","150","2","150","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C18 H17 Fe N2 S2 Tl -","- C18 H17 Fe N2 S2 Tl -","- C144 H136 Fe8 N16 S16 Tl8 -","8","1","","Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai","Intermolecular Tl···H-C anagostic interactions in luminescent pyridyl functionalized thallium(I) dithiocarbamates.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1716","1723","10.1039/c4dt03032j","","","0.71073","MoKα","","0.0876","0.0523","","","0.1137","0.1275","","","","","","1.006","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033562","29.507","0.0004","12.23","0.0002","20.978","0.0003","90","","90","","90","","7570.34","0.19","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C54 H94 Cu6 N34 O20 -","- C54 H94 Cu6 N34 O20 -","- C216 H376 Cu24 N136 O80 -","4","0.5","","Pitarch-Jarque, Javier; Belda, Raquel; Lloret, Francesc; Ferrando-Soria, Jesús; Navarro, Pilar; Lopera, Alberto; García-España, Enrique","""3 + 1 = 6 + 2"" in Cu(ii) coordination chemistry of 1H-pyrazole aza cryptands.","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3378","3383","10.1039/c4dt03650f","","","0.71073","MoKα","","0.077","0.0428","","","0.1101","0.1255","","","","","","1.028","","","","has coordinates,has disorder","180041","2020-10-21","18:00:00",""
"7034168","9.7243","0.0007","13.7133","0.001","32.524","0.002","90","","90","","90","","4337.1","0.5","173","2","173","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C27 H28 Fe2 S -","- C27 H28 Fe2 S -","- C216 H224 Fe16 S8 -","8","1","","Kowalski, Konrad; Karpowicz, Rafał; Mlostoń, Grzegorz; Miesel, Dominique; Hildebrandt, Alexander; Lang, Heinrich; Czerwieniec, Rafał; Therrien, Bruno","Synthesis and (spectro)electrochemistry of mixed-valent diferrocenyl-dihydrothiopyran derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","13","6268","6276","10.1039/c5dt00246j","","","0.71073","MoKα","","0.0835","0.0288","","","0.0389","0.0431","","","","","","0.599","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7035009","20.0258","0.0009","20.3253","0.0009","23.228","0.0011","90","","90","","90","","9454.5","0.7","123","2","123","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C41 H22 Cu F26 N2 O P3 -","- C41 H22 Cu F26 N2 O P3 -","- C328 H176 Cu8 F208 N16 O8 P24 -","8","1","","Nishikawa, Michihiro; Wakita, Yuri; Nishi, Tatsuya; Miura, Takumi; Tsubomura, Taro","Long-lived and oxygen-responsive photoluminescence in the solid state of copper(i) complexes bearing fluorinated diphosphine and bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9170","9181","10.1039/c5dt00199d","","","0.7107","MoKα","","0.0827","0.0777","","","","0.1461","","","","","","1.352","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036510","7.5236","0.0005","22.6943","0.0012","23.9482","0.0015","90","","90","","90","","4089","0.4","150","2","150","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C25 H22 Fe N2 Ni O2 -","- C25 H22 Fe N2 Ni O2 -","- C200 H176 Fe8 N16 Ni8 O16 -","8","1","","Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18019","18037","10.1039/c5dt02822a","","x-ray","0.71073","MoKα","","0.0841","0.0448","","","0.0945","0.1095","","","","","","1.034","","","","has coordinates","171186","2020-10-21","18:00:00",""
"7040470","17.7626","0.0004","32.9141","0.0008","47.7196","0.0012","90","","90","","90","","27898.8","1.2","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C96 H204 Dy Mo16 N13 O52 -","- C80 H180 Dy Mo16 N5 O52 -","- C640 H1440 Dy8 Mo128 N40 O416 -","8","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.2018","0.143","","","0.3186","0.3475","","","","","","1.043","","","","has coordinates,has disorder","188231","2020-10-21","18:00:00",""
"7040471","17.8839","0.00015","32.8402","0.0002","47.8961","0.0004","90","","90","","90","","28129.9","0.4","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C96 H204 Ho Mo16 N13 O52 -","- C80 H180 Ho Mo16 N5 O52 -","- C640 H1440 Ho8 Mo128 N40 O416 -","8","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.1016","0.0904","","","0.1803","0.1844","","","","","","1.228","","","","has coordinates,has disorder","188231","2020-10-21","18:00:00",""
"7040472","17.811","0.0003","33.158","0.0005","48.1554","0.0008","90","","90","","90","","28439.5","0.8","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C96 H204 Er Mo16 N13 O52 -","- C64 H144 Er Mo16 N4 O52 -","- C512 H1152 Er8 Mo128 N32 O416 -","8","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.1576","0.0958","","","0.2688","0.3039","","","","","","1.023","","","","has coordinates","188231","2020-10-21","18:00:00",""
"7040473","17.8375","0.0002","32.8499","0.0004","47.7986","0.0008","90","","90","","90","","28008.1","0.7","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C96 H204 Mo16 N13 O52 Tm -","- C80 H180 Mo16 N5 O52 Tm -","- C640 H1440 Mo128 N40 O416 Tm8 -","8","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.1431","0.1116","","","0.2275","0.2396","","","","","","1.091","","","","has coordinates","188231","2020-10-21","18:00:00",""
"7040474","17.8722","0.0003","32.7932","0.0005","47.8651","0.0007","90","","90","","90","","28053.1","0.8","120","2","120","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C96 H204 Mo16 N13 O52 Yb -","- C80 H180 Mo16 N5 O52 Yb -","- C640 H1440 Mo128 N40 O416 Yb8 -","8","1","","Baldoví, José J; Duan, Yan; Bustos, Carlos; Cardona-Serra, Salvador; Gouzerh, Pierre; Villanneau, Richard; Gontard, Geoffrey; Clemente-Juan, Juan M; Gaita-Ariño, Alejandro; Giménez-Saiz, Carlos; Proust, Anna; Coronado, Eugenio","Single ion magnets based on lanthanoid polyoxomolybdate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16653","16660","10.1039/c6dt02258h","","","0.71073","MoKα","","0.141","0.1134","","","0.2363","0.2469","","","","","","1.093","","","","has coordinates","188231","2020-10-21","18:00:00",""
"7044610","7.2782","0.0014","12.8154","0.0014","30.621","0.005","90","","90","","90","","2856.1","0.8","150","2","150","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H17 N2 O3 -","- C17 H17 N2 O3 -","- C136 H136 N16 O24 -","8","1","","Ghosh, Tapas; Patra, Debashis; Paul, Subhabrata; Majumder, Indira; Sepay, Nayim; Bera, Sachinath; Kundu, Rita; Drew, Michael G. B.","Exploring the role of substituent in the hydrazone ligand of a family of m-oxidodivanadium(V) hydrazone complexes on structure, DNA binding and anticancer activity","Dalton Transactions","2017","","","","","10.1039/C7DT03585C","","","0.71073","MoKα","","0.1524","0.0837","","","0.2118","0.2703","","","","","","0.937","","","","has coordinates","202509","2020-10-21","18:00:00",""
"7046440","23.7521","0.0016","26.2871","0.0019","27.5687","0.0019","90","","90","","90","","17213","2","293","2","293","2","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C100 H97 Mo24 N20 O88 P2 Ru2 Zn4 -","- C100 H80 Mo24 N20 O84 P2 Ru2 Zn4 -","- C400 H320 Mo96 N80 O336 P8 Ru8 Zn16 -","4","0.5","","Salomon, William; Rivière, Eric; López, Xavier; Suaud, Nicolas; Mialane, Pierre; Haouas, Mohamed; Saad, Ali; Marrot, Jérôme; Dolbecq, Anne","Bicapped Keggin polyoxomolybdates: discrete species and experimental and theoretical investigations on the electronic delocalization in a chain compound.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10636","10645","10.1039/c8dt01313f","","","0.71073","MoKα","","0.1592","0.0643","","","0.1672","0.2064","","","","","","0.902","","","","has coordinates","229845","2020-10-21","18:00:00",""
"7047962","15.1365","0.0003","21.8413","0.0004","22.3085","0.0004","90","","90","","90","","7375.2","0.2","300","2","300","0.1","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C55 H42 F12 Fe2 N20 O21 S4 -","- C55 H42 F12 Fe2 N20 O21 S4 -","- C220 H168 F48 Fe8 N80 O84 S16 -","4","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.0688","0.0501","","","0.1491","0.1654","","","","","","1.069","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7047966","14.8997","0.0004","21.7329","0.0005","22.2566","0.0004","90","","90","","90","","7207","0.3","120","2","120","0.1","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C29 H24 F6 Fe N10 O11 S2 -","- C29 H24 F6 Fe N10 O11 S2 -","- C232 H192 F48 Fe8 N80 O88 S16 -","8","1","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.095","0.0513","","","0.0878","0.1032","","","","","","1.029","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7050037","13.535","0.0006","23.464","0.002","27.85","0.003","90","","90","","90","","8844.7","1.3","150","","150","","","","","","","","?","8","P c a b","-P 2bc 2ac","61","","","","- C41.24 H39.47 Br2 Cl2.47 N Ni O P2 -","- C41.236 H39.4718 Br2 Cl2.472 N Ni O P2 -","- C329.888 H315.774 Br16 Cl19.776 N8 Ni8 O8 P16 -","8","1","","Sofia I. Pascu; Karl S. Coleman; A. R. Cowley; Malcolm L. H. Green; Nicholas H. Rees","New group 10 complexes of the bulky iminophosphine ligands [Ph2PCH2C(Ph)?N(2,6-R2C6H3)], where R = Me, iPr","New Journal of Chemistry","2005","29","2","385","","10.1039/b412391c","","","0.71069","MoKα","","0.131","0.0581","","0.0962","0.0658","0.0658","","","","","","1.2474","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051331","11.6664","0.001","9.1552","0.0005","17.5536","0.0018","90","","90","","90","","1874.9","0.3","100","2","100","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C4 H15 Br2 N3 -","- C4 H15 Br2 N3 -","- C32 H120 Br16 N24 -","8","1","","","","New Journal of Chemistry","2000","","","","","10.1039/b004641h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051455","19.95","0.02","14.86","0.016","21.52","0.02","90","","90","","90","","6382","12","293","2","293","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C26 H28 F12 N2 P2 Ru S4 -","- C26 H28 F12 N2 P2 Ru S4 -","- C208 H224 F96 N16 P16 Ru8 S32 -","8","1","","Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.","Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands","New Journal of Chemistry","1999","23","10","1015","1025","10.1039/a903117k","","","","","","","","","","","","","","","","","","","","","has coordinates","277928","2022-09-16","20:08:55",""
"7053969","13.7371","0.00004","6.922","0.0002","20.0985","0.00059","90","","90","","90","","1911.13","0.08","293","2","293","2","","","","","","","synthesis as described","4","P c a b","-P 2bc 2ac","61","Compound 3","","","- C20 H22 Cl2 N2 -","- C20 H22 Cl2 N2 -","- C80 H88 Cl8 N8 -","4","0.5","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.2867","0.2517","","","0.6082","0.6407","","","","","","2.986","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7057090","12.9405","0.0004","14.038","0.0004","28.3268","0.001","90","","90","","90","","5145.8","0.3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C26 H38 Mo N2 O4 -","- C26 H38 Mo N2 O4 -","- C208 H304 Mo8 N16 O32 -","8","1","","Maurya, Mannar R.; Mengesha, Bekele; Uprety, Bhawna; Jangra, Nancy; Tomar, Reshu; Avecilla, Fernando","Oxygen atom transfer between DMSO and benzoin catalyzed by cis-dioxidomolybdenum(vi) complexes of tetradentate Mannich bases","New Journal of Chemistry","2018","42","8","6225","","10.1039/C7NJ03551A","","","0.71073","MoKα","","0.0807","0.0367","","","0.0854","0.1059","","","","","","0.937","","","","has coordinates","288501","2023-12-22","13:20:51",""
"7101699","9.329","0.005","17.981","0.005","25.306","0.005","90","","90","","90","","4245","3","293","","293","","","","","","","","synthesis as described","4","P c a b","-P 2bc 2ac","61","ps04.178","","","- C30 H17 N O2 -","- C30 H17 N O2 -","- C240 H136 N8 O16 -","8","1","","Benanti, Travis L; Saejueng, Pranorm; Venkataraman, D","Segregated assemblies in bridged electron-rich and electron-poor pi-conjugated moieties.","Chemical communications (Cambridge, England)","2007","","7","692","694","10.1039/b610565c","","x-ray","0.71069","MoKα","","0.131","0.0554","","","0.1236","0.1538","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103967","14.969","0.005","15.3","0.005","15.506","0.005","90","0.005","90","0.005","90","0.005","3551","2","153","2","153","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","(CGC)phosphorous chloride","t-butyl(dimetyl(tetra-methylcyclopentadienyl)silyl)amido phosporous chloride","","- C15 H27 Cl N P Si -","- C15 H27 Cl N P Si -","- C120 H216 Cl8 N8 P8 Si8 -","8","1","","Wiacek, Robert J.; Macdonald, Charles L. B.; Jones, Jamie N.; Pietryga, Jeffrey M.; Cowley, Alan H.","The contrasting behaviour of bridged amido-cyclopentadienyl (constrained geometry) group 15 chlorides and cations derived therefrom","Chemical Communications (Cambridge, United Kingdom)","2003","","3","430","431","10.1039/b211591c","","","0.71069","MoKα","","0.0482","0.0335","","","0.0795","0.0855","","","","","","1.038","","","","has coordinates","209679","2020-10-21","18:00:00",""
"7107186","17.251","0.005","24.093","0.005","41.951","0.005","90","0.005","90","0.005","90","0.005","17436","7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C60 H42 F36 Gd2 O18 S4 -","- C60 H42 F36 Gd2 O18 S4 -","- C480 H336 F288 Gd16 O144 S32 -","8","1","","Fabrice Fabrice Pointillart; Svetlana Klementieva; Viacheslav Kuropatov; Yann Le Gal; Stephane Golhen; Olivier Cador; Vladimir Cherkasov; Lahcene Ouahab","A single molecule magnet behaviour in a D3h symmetry Dy(III) complex involving a quinone-tetrathiafulvalene-quinone bridge","Chem.Commun.","2012","48","","714","","10.1039/c1cc16314k","","","0.71073","MoKα","","0.1266","0.0677","","","0.1961","0.2515","","","","","","1.044","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7122510","7.0408","0.0014","19.834","0.004","23.634","0.005","90","","90","","90","","3300.4","1.2","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C12 H16 N3 O7 P -","- C12 H16 N3 O7 P -","- C96 H128 N24 O56 P8 -","8","1","","Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Molecular design of high-temperature organic dielectric switches.","Chemical communications (Cambridge, England)","2018","54","93","13111","13114","10.1039/c8cc07311b","","","0.71073","MoKα","","0.1474","0.0995","","","0.2107","0.2374","","","","","","1.108","","","","has coordinates","228130","2020-10-21","18:00:00",""
"7127779","7.6931","0.0007","17.523","0.0015","30.345","0.003","90","","90","","90","","4090.7","0.7","298","2","298","","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C20 H14 Br Cl Mn N3 O4 -","- C20 H14 Br Cl Mn N3 O4 -","- C160 H112 Br8 Cl8 Mn8 N24 O32 -","8","1","","Stenger-Smith, Jenny; Chakraborty, Indranil; Ouattara, Ramatoulaye; Sameera, W. M. C.; Rue, Kelly; Mascharak, Pradip","CO release from Mn(i)-based photoCORMs with single photons in the phototherapeutic region.","Chemical communications (Cambridge, England)","2021","57","9","1101","1104","10.1039/d0cc07405e","","","0.71073","MoKα","","0.1397","0.0796","","","0.1429","0.1625","","","","","","1.121","","","","has coordinates","261563","2021-02-04","22:44:00",""
"7130617","9.3593","0.0011","12.3411","0.0018","13.8369","0.0019","90","","90","","90","","1598.2","0.4","296","2","296","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C7 H4 Br Cl N2 -","- C7 H4 Br Cl N2 -","- C56 H32 Br8 Cl8 N16 -","8","1","","Dhaka, Arun; Jeannin, olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc; Jeon, Ie-Rang","N-chlorobenzimidazoles as efficient and structurally diverse amphoteric halogen bond donors in crystal engineering","Chemical Communications","2022","","","","","10.1039/D2CC03971K","","x-ray","0.71073","MoKα","","0.1036","0.047","","","0.0728","0.0851","","","","","","0.983","","","","has coordinates","277467","2022-08-30","21:56:25",""
"7150783","5.8116","0.0002","16.782","0.0006","24.6525","0.0009","90","","90","","90","","2404.37","0.15","100","2","100","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C12 H6 Cl I N2 S -","- C12 H6 Cl I N2 S -","- C96 H48 Cl8 I8 N16 S8 -","8","1","","Snégaroff, Katia; Lassagne, Frédéric; Bentabed-Ababsa, Ghenia; Nassar, Ekhlass; Ely, Sidaty Cheikh Sid; Hesse, Stéphanie; Perspicace, Enrico; Derdour, Aïcha; Mongin, Florence","Direct metallation of thienopyrimidines using a mixed lithium‒cadmium base and antitumor activity of functionalized derivatives","Organic & Biomolecular Chemistry","2009","7","22","4782","","10.1039/b915274a","","x-ray","0.71073","MoKα","","0.0296","0.0252","","","0.0495","0.0517","","","","","","1.089","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151679","11.2975","0.0002","15.8036","0.0003","20.145","0.0006","90","","90","","90","","3596.71","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C152 H128 N16 O48 -","8","1","","Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei","Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.","Organic & biomolecular chemistry","2011","9","2","363","366","10.1039/C0OB00644K","","","0.71073","MoKα","","0.0913","0.0543","","","0.1566","0.1938","","","","","","1.076","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7153641","12.5","0.0004","12.661","0.0003","22.056","0.0007","90","","90","","90","","3490.64","0.18","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C15 H25 B O4 Si -","- C15 H25 B O4 Si -","- C120 H200 B8 O32 Si8 -","8","1","","Goggins, Sean; Rosevere, Eleanor; Bellini, Clément; Allen, Joseph C.; Marsh, Barrie J.; Mahon, Mary F.; Frost, Christopher G.","Silyl-protected dioxaborinanes: application in the Suzuki cross-coupling reaction.","Organic & biomolecular chemistry","2014","12","1","47","52","10.1039/c3ob42099j","","","0.71073","MoKα","","0.1504","0.0573","","","0.1244","0.1581","","","","","","0.979","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7154567","6.8237","0.0005","8.5474","0.0007","22.3448","0.0015","90","","90","","90","","1303.26","0.17","150","2","150","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0556","0.0328","","","0.0721","0.0798","","","","","","1.037","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7157358","7.2265","0.0006","13.6852","0.0016","32.525","0.003","90","","90","","90","","3216.6","0.5","120","2","119.97","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C168 H120 N8 O24 -","8","1","","Dong, Shanliang; Huang, Jingjing; Sha, Hongkai; Qiu, Lihua; Hu, Wenhao; Xu, Xinfang","Copper-catalyzed formal [1 + 2 + 2]-annulation of alkyne-tethered diazoacetates and pyridines: access to polycyclic indolizines.","Organic & biomolecular chemistry","2020","18","10","1926","1932","10.1039/d0ob00222d","","","0.71073","MoKα","","0.0893","0.0465","","","0.1214","0.1596","","","","","","1.093","","","","has coordinates","250361","2020-10-21","18:00:00",""
"7201831","9.386","0.001","11.4412","0.0004","27.4207","0.0003","90","","90","","90","","2944.6","0.3","175","","175","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C112 H136 N40 O8 -","8","1","","Legrand, Yves-Marie; Michau, Mathieu; van der Lee, Arie; Barboiu, Mihail","Homomeric and heteromeric self-assembly of hybrid ureido‒imidazole compounds","CrystEngComm","2008","10","5","490","","10.1039/b717015g","","","0.71073","MoKα","","0.0776","0.0453","","0.0472","0.0442","0.0442","","","","","","1.0831","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202577","15.888","0.005","16.518","0.005","33.306","0.005","90","","90","","90","","8741","4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C43 H49 O16 P2 -","- C43 H46 O16 P2 -","- C344 H368 O128 P16 -","8","1","","Daly, Susan M.; Grassi, Michele; Shenoy, Devanand K.; Ugozzoli, Franco; Dalcanale, Enrico","Supramolecular surface plasmon resonance (SPR) sensors for organophosphorus vapor detection","Journal of Materials Chemistry","2007","17","18","1809","","10.1039/b615516b","","","0.71069","MoKα","","0.1029","0.0971","","","0.3308","0.3328","","","","","","1.525","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203861","10.043","0.003","15.989","0.004","18.308","0.006","90","","90","","90","","2939.9","1.5","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C3 H16 Ga3 N2 O15 P3 -","- C3 Ga3 N2 O15 P3 -","- C24 Ga24 N16 O120 P24 -","8","1","","Chantal Brouca-Cabarrecq; Alain Mosset","New potential open-framework materials in gallophosphate systems. Preparation and crystal structure of [NH3(CH2)3NH3]Ga3(PO4)3(OH)2·H2O and [NH2(CH2)3NH2]Ga3(PO4)3(H2O)","J. Mater. Chem.","2000","10","2","445","450","10.1039/a905099j","","","0.7093","","","0.1277","0.0436","","0.1351","0.1164","","","","0.992","1.197","1.197","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7204554","8.9755","0.0015","16.22","0.003","23.691","0.007","90","","90","","90","","3449","1.3","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C36 H44 N4 O10 -","- C36 H44 N4 O10 -","- C144 H176 N16 O40 -","4","0.5","","Neumann, Bernhard; Hegmann, Torsten; Wagner, Christoph; Ashton, Peter R.; Wolf, Raik; Tschierske, Carsten","Liquid crystalline macrocycles containing phenylpyrimidine unitsElectronic supplementary information (ESI) available: the procedures and analytical data for all compounds and a table with selected bond distances and bond angles of the crystal structure of compound C are available as supplementary data. See http://www.rsc.org/suppdata/jm/b2/b210271d/","Journal of Materials Chemistry","2003","13","4","778","","10.1039/b210271d","","","0.71073","MoKα","","0.1691","0.0547","","","0.0914","0.1237","","","","","","0.83","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7206402","28.67338","0.00023","11.152871","0.000061","10.668212","0.000055","90","","90","","90","","3411.59","0.04","298","2","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","Propylthiouracil","6-propyl-2-thiouracil","","- C7 H10 N2 O S -","- C7 H10 N2 O S -","- C112 H160 N32 O16 S16 -","16","2","","Ferreira, Fabio Furlan; Trindade, Antonio Carlos; Antonio, Selma Gutierrez; de Oliveira Paiva-Santos, Carlos","Crystal structure of propylthiouracil determined using high-resolution synchrotron X-ray powder diffraction","CrystEngComm","2011","13","17","5474","","10.1039/c1ce05362k","powder diffraction","","1.23982","synchrotron","","","","","","","","0.01572","0.0157","1.6","","","","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7211403","10.8996","0.0004","19.1551","0.0006","29.1067","0.001","90","","90","","90","","6077","0.4","173","2","173","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","4-phenyl-1,2,3,5-dithiadiazolyl- 4-(4'-perfluoropyridyl)-1,2,3,5-dithiadiazolyl co-crystal","","","- C13 H5 F4 N5 S4 -","- C13 H5 F4 N5 S4 -","- C208 H80 F64 N80 S64 -","16","2","","Robinson, Sean W.; Haynes, Delia A.; Rawson, Jeremy M.","Co-crystal formation with 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2013","15","47","10205","","10.1039/c3ce41519h","","","1.54178","CuKα","","0.0243","0.0237","","","0.0658","0.0662","","","","","","1.096","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7212364","9.1168","0.0003","13.8294","0.0004","17.2443","0.0006","90","","90","","90","","2174.16","0.12","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa","‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)","Green Chemistry","2010","12","6","1090","","10.1039/b926085d","","","0.71073","MoKα","","0.1157","0.0557","","","0.1185","0.1488","","","","","","1.022","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7216465","14.545","0.003","14.834","0.003","12.805","0.004","90","","90","","90","","2762.8","1.2","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C12 H8 N4 O2 S Zn -","- C12 H8 N4 O2 S Zn -","- C96 H64 N32 O16 S8 Zn8 -","8","1","","De la Pinta, Noelia; Caballero, Ana B.; Madariaga, Gotzon; Ezpeleta, José M.; Rodriguez-Dieguez, Antonio; Salas, Juan M.; Cortés, Roberto","DPDS‒DPS in situ transformation at room temperature via a 1,2-nucleophilic addition mechanism","CrystEngComm","2014","16","36","8322","","10.1039/C4CE00781F","","","0.71069","MoKα","","0.1409","0.029","","","","0.0613","","","","","","0.801","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7219525","16.666","0.002","19.745","0.003","21.037","0.003","90","","90","","90","","6922.6","1.7","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C39 H41 Co N2 P3 -","- C39 H41 Co N2 P3 -","- C312 H328 Co8 N16 P24 -","8","1","","zhu, gengyu; wang, lin; Sun, Hongjian; Li, Xiaoyan","Formation of PCP pincer cobalt complexes with cobaltacyclopropane moieties via double Csp3-H bond activation†","RSC Adv.","2015","","","","","10.1039/C5RA01230A","","","0.71","MoKα","","0.1589","0.0778","","","0.1813","0.235","","","","","","1.037","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7220657","19.379","0.005","24.584","0.005","12.3","0.005","90","0.005","90","0.005","90","0.005","5860","3","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","N,N'-bis(2-acetylpyridine)idene-1,2-diaminoethane","","- C16 H18 N4 -","- C16 H18 N4 -","- C256 H288 N64 -","16","2","","Baig, Fayaz; Kant, Rajni; Gupta, Vivek; Sarkar, Madhushree","Effects of Non Covalent Interactions in Light Emitting Properties of bis-pyridyl-alkyl-di-imines","RSC Adv.","2015","","","","","10.1039/C5RA09562J","","","0.71073","MoKα","","0.1571","0.0813","","","0.1901","0.236","","","","","","1.038","","","","has coordinates","137695","2020-10-21","18:00:00",""
"7222283","11.051","","15.58","","21.736","","90","","90","","90","","3742.39","","293","2","293","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C16 H20 Cl Cu N3 O7 -","- C16 H20 Cl Cu N3 O7 -","- C128 H160 Cl8 Cu8 N24 O56 -","8","1","","AGGOUN, Djouhra; OURARI, Ali; DERAFA, Wassila","A novel unsymmetrical tetradentate copper (II)-Schiff base complex: Synthesis, Crystal structure, Electrochemical, Morphological and Electrocatalytic behaviors towards electroreduction of alkyl and aryl halides","RSC Adv.","2015","","","","","10.1039/C5RA10819E","","x-ray","0.71073","MoKα","","0.0827","0.0484","","","0.1076","0.1245","","","","","","1.051","","","","has coordinates","158252","2020-10-21","18:00:00",""
"7225673","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.0515","0.0368","","","0.1018","0.1079","","","","","","1.035","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7225674","7.5644","0.0005","15.7136","0.001","16.6651","0.0011","90","","90","","90","","1980.9","0.2","100","2","100","2","","","","","","","commercial","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 Cl2 N2 O4 -","- C20 H20 Cl2 N2 O4 -","- C80 H80 Cl8 N8 O16 -","4","0.5","","Sovago, Ioana; Thomas, Lynne H.; Adam, Martin S.; Capelli, Silvia C.; Wilson, Chick C.; Farrugia, Louis J.","High resolution X-ray and neutron diffraction studies on molecular complexes of chloranilic acid and lutidines","CrystEngComm","2016","18","30","5697","","10.1039/C6CE01065B","","x-ray","0.71073","MoKα","","0.056","0.029","","","","0.028","","","","","","1.447","","","","has coordinates","185184","2020-10-21","18:00:00",""
"7227253","10.2451","0.0008","11.074","0.0007","15.3632","0.0011","90","","90","","90","","1743","0.2","180","2","180","","","","","","","","synthesis as described","4","P c a b","-P 2bc 2ac","61","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","0.5","","Leblanc, Nicolas; Genovese, Damiano; De Cola, Luisa; Powell, Annie K.","A platform with connections in many directions - further remarkable facets to the multifaceted methylbiquinoxen dication.","Physical chemistry chemical physics : PCCP","2017","19","10","6981","6988","10.1039/c6cp07538j","","","0.71073","MoKα","","0.0683","0.0476","","","0.1214","0.1326","","","","","","1.015","","","","has coordinates","195185","2020-10-21","18:00:00",""
"7228159","9.969","0.001","12.775","0.001","20.278","0.001","90","","90","","90","","2582.5","0.4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","DTBT","'4,7-dithien-2-yl-2,1,3-benzothiadiazole'","","- C14 H8 N2 S3 -","- C13.992 H7.59 N2 S2.992 -","- C111.936 H60.72 N16 S23.936 -","8","1","","Iagatti, Alessandro; Patrizi, Barbara; Basagni, Andrea; Marcelli, Agnese; Alessi, Andrea; Zanardi, Stefano; Fusco, Roberto; Salvalaggio, Mario; Bussotti, Laura; FOGGI, Paolo","Photophysical properties and excited state dynamics of 4,7-dithien-2-yl-2,1,3-benzothiadiazole","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C6CP08721C","","","0.71073","MoKα","","0.0961","0.0511","","0.1767","0.1483","","","","0.997","1.091","1.091","","","","","has coordinates","195866","2020-10-21","18:00:00",""
"7228654","7.7705","0.0005","21.1114","0.0015","29.069","0.002","90","","90","","90","","4768.7","0.6","100","2","100","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C13 H34 Br3 N O8 Pb -","- C13 H34 Br3 N O8 Pb -","- C104 H272 Br24 N8 O64 Pb8 -","8","1","","Kollek, Tom; Polarz, Sebastian","Facet-Controlled Preparation of Hybrid Perovskite Microcrystals in the Gas Phase and the Remarkable Effect on Optoelectronic Properties","CrystEngComm","2017","","","","","10.1039/C7CE00839B","","","0.71073","MoKα","","0.0659","0.0475","","","0.1213","0.134","","","","","","1.014","","","","has coordinates","198565","2020-10-21","18:00:00",""
"7231012","8.7723","0.0006","10.5359","0.0007","36.582","0.0003","90","","90","","90","","3381.1","0.3","173","2","173","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C9 H21 Br2 N3 O6 Sr -","- C9 H21 Br2 N3 O6 Sr -","- C72 H168 Br16 N24 O48 Sr8 -","8","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0445","0.0307","","","0.1102","0.1299","","","","","","1.015","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231016","8.8611","0.0006","10.5404","0.0007","36.611","0.0003","90","","90","","90","","3419.5","0.3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C9 H21 Br2 N3 O6 Sr -","- C9 H21 Br2 N3 O6 Sr -","- C72 H168 Br16 N24 O48 Sr8 -","8","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0845","0.0501","","","0.1551","0.1782","","","","","","1.165","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7232164","8.2062","0.0002","18.5089","0.0006","24.6576","0.0008","90","","90","","90","","3745.19","0.19","190","2","190","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C24 H19 Cl N2 -","- C24 H19 Cl N2 -","- C192 H152 Cl8 N16 -","8","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission by pyridinium‒pyridinium interactions","RSC Advances","2019","9","1","460","","10.1039/C8RA08771G","","","0.71073","MoKα","","0.1556","0.061","","","0.1111","0.1384","","","","","","0.953","","","","has coordinates","213041","2020-10-21","18:00:00",""
"7232431","20.733","0.009","26.304","0.012","28.112","0.013","90","","90","","90","","15331","12","223","2","223","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C52 H28 Br16 N4 O9 V -","- C52 H28 Br16 N4 O9 V -","- C416 H224 Br128 N32 O72 V8 -","8","1","","Dar, Tawseef Ahmad; Uprety, Bhawna; Sankar, Muniappan; Maurya, Mannar R.","Robust and electron deficient oxidovanadium(iv) porphyrin catalysts for selective epoxidation and oxidative bromination reactions in aqueous media","Green Chemistry","2019","21","7","1757","","10.1039/C8GC03909G","","","0.71073","MoKα","","0.2234","0.0783","","","0.2369","0.3034","","","","","","1.024","","","","has coordinates","224622","2020-10-21","18:00:00",""
"7234656","12.3292","0.0018","14.816","0.002","23.194","0.003","90","","90","","90","","4236.8","1","100.15","","100.15","","","","","","","","","2","P c a b","-P 2bc 2ac","61","","Pyrene, 1,3,6,8-tetrakis[4-(1,1-dimethylethyl)phenyl]-","","- C56 H58 -","- C56 H58 -","- C224 H232 -","4","0.5","","Tarek H. El-Assaad; Manuel Auer; Raul Castaneda; Kassem M. Hallal; Fadi M. Jradi; Lorenzo Mosca; Rony S. Khnayzer; Digambara Patra; Tatiana V. Timofeeva; Jean-Luc Bredas; Emil J. W. List-Kratochvil; Brigitte Wex; Bilal R. Kaafarani","Tetraaryl pyrenes: photophysical properties, computational studies, crystal structures, and application in OLEDs","Journal of Materials Chemistry C","2016","4","","3041","3058","10.1039/C5TC02849C","","","0.71073","MoKα","","0.061","0.0485","","","0.1296","0.1366","","","","","","1.05","","","","has coordinates","219383","2020-10-21","18:00:00",""
"7238346","10.078","0.0002","16.9209","0.0003","20.2287","0.0004","90","","90","","90","","3449.58","0.11","200","2","200","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C12 H19 Co3 O11 P3 -","- C12 H15 Co3 O11 P3 -","- C96 H120 Co24 O88 P24 -","8","1","","Yang, Chen-I.; Song, Yu-Tang; Yeh, Yung-Jie; Liu, Yen-Hsiang; Tseng, Tien-Wen; Lu, Kuang-Lieh","A flexible tris-phosphonate for the design of copper and cobalt coordination polymers: unusual cage array topology and magnetic properties","CrystEngComm","2011","13","7","2678","","10.1039/c0ce00439a","","x-ray","0.71073","MoKα","","0.0774","0.0486","","","0.1397","0.1739","","","","","","1.185","","","","has coordinates","244124","2020-10-21","18:00:00",""
"7238446","8.5808","0.0007","46.211","0.004","8.7745","0.0008","90","","90","","90","","3479.3","0.5","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C176 H168 N8 O16 -","8","1","","Kundu, Kshama; Nayak, Sandip K.","(±)-Camphor-10-sulfonic acid catalyzed direct one-pot three-component Mannich type reaction of alkyl (hetero)aryl ketones under solvent-free conditions: application to the synthesis of aminochromans","RSC Adv.","2012","2","2","480","","10.1039/C1RA00652E","","","0.71073","MoKα","","0.1316","0.0497","","","0.0941","0.1117","","","","","","0.862","","","","has coordinates","244177","2020-10-21","18:00:00",""
"7238881","15.7383","0.0004","50.6519","0.0011","18.0535","0.0004","90","","90","","90","","14391.8","0.6","150","2","150","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C88 H80 Fe4 O4 -","- C88 H80 Fe4 O4 -","- C704 H640 Fe32 O32 -","8","1","","Sharma, Rekha; Margani, Ramesh; Mobin, Shaikh M.; Misra, Rajneesh","Ferrocenyl substituted calixarenes: synthesis, structure and properties","RSC Advances","2013","3","17","5785","","10.1039/c3ra00146f","","","0.71073","MoKα","","0.0788","0.0672","","","0.1628","0.1715","","","","","","1.066","","","","has coordinates","244443","2020-10-21","18:00:00",""
"7701917","13.569","0.0001","13.83","0.0001","27.858","0.0002","90","","90","","90","","5227.81","0.07","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 N2 O10 Ru3 -","- C20 H20 N2 O10 Ru3 -","- C160 H160 N16 O80 Ru24 -","8","1","","Ellul, Charles E.; Lowe, John P.; Mahon, Mary F.; Raithby, Paul R.; Whittlesey, Michael K.","[Ru<sub>3</sub>(6-NHC)(CO)<sub>10</sub>]: synthesis, characterisation and reactivity of rare 46-electron tri-ruthenium clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4518","4523","10.1039/c8dt00189h","","","0.71073","MoKα","","0.0246","0.0197","","","0.0429","0.0446","","","","","","1.058","","","","has coordinates","227813","2020-10-21","18:00:00",""
"7702363","14.781","0.005","16.863","0.005","20.407","0.007","90","","90","","90","","5086","3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","[Re2(mu-Ph2PC4H3S)(CO)8] (COMPOUND 4 IN DALTON PAPER 8/09845J)","","- C24 H13 O8 P Re2 S -","- C24 H13 O8 P Re2 S -","- C192 H104 O64 P8 Re16 S8 -","8","1","","Deeming, Antony J.; Shinhmar, Mukesh K.; Arce, Alejandro J.; De Sanctis, Ysaura","Two different types of 2-thienyl bridge in dinuclear manganese and rhenium compounds","Journal of the Chemical Society, Dalton Transactions","1999","","7","1153","","10.1039/a809845j","","","0.71073","MoKα","","0.0568","0.0407","","0.1146","0.0995","","","","1.034","1.047","1.047","","","","","has coordinates","243840","2020-10-21","18:00:00",""
"7702439","10.982","0.005","15.846","0.009","18.236","0.006","90","0.04","90","0.04","90","0.04","3173","3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","(Nitrilo-tris(methylenephosphonate)copper(II)(water),Pyridonium","","- C8 H17 Cu N2 O10 P3 -","- C8 H11 Cu N2 O10 P3 -","- C64 H88 Cu8 N16 O80 P24 -","8","1","","Cecconi, Franco; Ghilardi, Carlo A.; Lorenzo Luis, Pablo A.; Midollini, Stefano; Orlandini, Annabella; Dakternieks, Dainis; Duthie, Andrew; Dominguez, Sixto; Berti, Elisabetta; Vacca, Alberto","Complexes of the tripodal nitrilotrimethylenetrisphosphonic (H6L) and P,P′,P ″-triphenylnitrilotrimethylenetrisphosphinic (H3L°) acids with the copper(II) ion. Synthesis and characterization of [Hpy][Cu(H3L)(H2O)] and [Cu(HL°)(py)]2·2Me2CO†","Journal of the Chemical Society, Dalton Transactions","2001","","2","211","","10.1039/b004576o","","","0.7107","MoKα","","0.1159","0.0509","","0.1313","0.1097","","","","1.026","1.082","1.082","","","","","has coordinates","243867","2020-10-21","18:00:00",""
"7709286","14.7548","0.0007","14.9919","0.0008","33.94","0.0017","90","","90","","90","","7507.6","0.7","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C31 H48 N4 O12 Pd S2 -","- C31 H48 N4 O12 Pd S2 -","- C248 H384 N32 O96 Pd8 S16 -","8","1","","Serrano, Jose Luis; Gaware, Sujeet; Pérez de Haro, Jose Antonio; Pérez, Jose; Lozano, Pedro; Kori, Santosh; Dandela, Rambabu; Sanghvi, Yogesh S.; Kapdi, Anant R.","Quadrol-Pd(II) complexes: phosphine-free precatalysts for the room-temperature Suzuki-Miyaura synthesis of nucleoside analogues in aqueous media","Dalton Transactions","2022","","","","","10.1039/D1DT03778A","","","0.71073","MoKα","","0.0721","0.059","","","0.1407","0.1467","","","","","","1.21","","","","has coordinates","271996","2022-01-11","23:49:55",""
"7715663","15.221","0.002","16.815","0.002","20.546","0.003","90","","90","","90","","5258.6","1.2","130","2","130","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C25 H38 Mo O2 Si2 -","- C25 H38 Mo O2 Si2 -","- C200 H304 Mo8 O16 Si16 -","8","1","","Muraoka, Takako; Ishita, Taichi; Kawachi, Kosuke; Nishio, Takuya; Ishihara, Hiroto; Ueno, Keiji","Reactions of (mesityl)<sub><i>n</i></sub>(methyl)<sub>2-<i>n</i></sub>silylene complexes with pyridine-<i>N</i>-oxide (<i>n</i> = 1 and 0): formation of silanone complexes and a disiloxanyloxy complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7105","7114","10.1039/d4dt00631c","","","0.71073","MoKα","","0.0356","0.0297","","","0.0732","0.0774","","","","","","1.081","","","","has coordinates","291622","2024-05-05","02:48:26",""
"7715664","15.2435","0.0014","16.7605","0.0014","20.4763","0.0016","90","","90","","90","","5231.5","0.8","120","2","120","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C25 H38 O2 Si2 W -","- C25 H38 O2 Si2 W -","- C200 H304 O16 Si16 W8 -","8","1","","Muraoka, Takako; Ishita, Taichi; Kawachi, Kosuke; Nishio, Takuya; Ishihara, Hiroto; Ueno, Keiji","Reactions of (mesityl)<sub><i>n</i></sub>(methyl)<sub>2-<i>n</i></sub>silylene complexes with pyridine-<i>N</i>-oxide (<i>n</i> = 1 and 0): formation of silanone complexes and a disiloxanyloxy complex.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7105","7114","10.1039/d4dt00631c","","","0.71073","MoKα","","0.0295","0.0256","","","0.0646","0.0661","","","","","","0.986","","","","has coordinates","291622","2024-05-05","02:48:26",""
"8100435","10.983","0.002","12.287","0.003","14.052","0.003","90","","90","","90","","1896.3","0.7","289","2","289","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C4 H5 N3 -","- C4 H5 N3 -","- C64 H80 N48 -","16","2","","Van Meervelt, Luc; Uytterhoeven, Koen","Crystal structure of 4-aminopyrimidine, C~4~H~5~N~3~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","481","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8101828","8.5908","0.0005","12.0056","0.0008","24.2133","0.0013","90","","90","","90","","2497.3","0.3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","7-Chloro-3-isopropylsulfanyl-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C10 H11 Cl N2 O2 S2 -","- C10 H11 Cl N2 O2 S2 -","- C80 H88 Cl8 N16 O16 S16 -","8","1","","L. Dupont; S. Boverie; P. de Tullio; B. Pirotte","Crystal structure of 7-chloro-3-isopropylsulfanyl-4H-1,2,4-benzothiadiazine 1,1-dioxide, C~10~H~11~ClN~2~O~2~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","467","468","","","","1.5418","CuKα","","0.0807","0.0576","","","0.1597","0.1691","","","","","","0.945","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101834","9.1455","0.0018","14.113","0.003","18.998","0.004","90","","90","","90","","2452.1","0.9","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","1,3-bis(1-methyl-1H-tetrazol-5-ylthio)propane,","","- C7 H12 N8 S2 -","- C7 H12 N8 S2 -","- C56 H96 N64 S16 -","8","1","","Dou, Y.-L.; Zhang, G.-F.; Lei, Y.-J.; Fan, X.-Z.","Crystal structure of 1,3-bis(1-methyl-1H-tetrazol-5-ylthio)propane, C~3~H~6~(SCN~4~CH~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","485","486","","","","0.71073","MoKα","","0.0622","0.0372","","","0.1021","0.1113","","","","","","1.026","","","","has coordinates","202018","2020-10-21","18:00:00",""
"9000567","9.885","","19.832","","5.3825","","90","","90","","90","","1055.18","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","Shattuckite","- Cu5 H2 O14 Si4 -","- Cu5 H2 O14 Si4 -","- Cu20 H8 O56 Si16 -","4","0.5","","Evans, H. T.; Mrose, M. E.","The crystal chemistry of the hydrous copper silicates, shattuckite and plancheite Note: sample is from Ajo, Arizona","American Mineralogist","1977","62","","491","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:17",""
"9001109","12.855","","13.487","","12.047","","90","","90","","90","","2088.65","","","","","","","","","","","","the old manganese mine, Falotta, Graubunden, Switzerland","7","P c a b","-P 2bc 2ac","61","","","Grischunite","- As6 Ca2.121 Fe H4 Mn5 Na0.73 O26 -","- As6 Ca2.121 Fe H4 Mn5 Na0.73 O26 -","- As24 Ca8.484 Fe4 H16 Mn20 Na2.92 O104 -","4","0.5","","Bianchi, R.; Pilati, T.; Mannucci, G.","Crystal structure of grischunite","American Mineralogist","1987","72","","1225","1229","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9002249","12.559","","12.834","","11.714","","90","","90","","90","","1888.09","","","","","","","","","","","","","10","P c a b","-P 2bc 2ac","61","","","Bederite","- Al0.09 Ca1.03 Fe0.94 H2 Mg0.44 Mn1.89 Na0.1 O13 P3 Zn0.02 -","- Al0.09 Ca1.03 Fe0.94 H2 Mg0.44 Mn1.89 Na0.1 O13 P3 Zn0.02 -","- Al0.72 Ca8.24 Fe7.52 H16 Mg3.52 Mn15.12 Na0.8 O104 P24 Zn0.16 -","8","1","","Galliski, M. A.; Cooper, M. A.; Hawthorne, F. C.; Cerny, P.","Bederite, a new pegmatite phosphate mineral from Nevados de Palermo, Argentina: Description and crystal structure","American Mineralogist","1999","84","","1674","1679","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9004455","12.524","","12.907","","11.646","","90","","90","","90","","1882.54","","","","","","","","","","","","","9","P c a b","-P 2bc 2ac","61","","","Wicksite","- Al0.18 Ca2 Fe4.24 H4 Mg0.96 Mn0.6 Na O26 P6 -","- Al0.18 Ca2 Fe4.24 H4 Mg0.96 Mn0.6 Na O26 P6 -","- Al0.72 Ca8 Fe16.96 H16 Mg3.84 Mn2.4 Na4 O104 P24 -","4","0.5","","Cooper, M. A.; Hawthorne, F. C.","The crystal structure of wicksite","The Canadian Mineralogist","1997","35","","777","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9007520","9.4157","","9.4233","","9.4047","","90","","90","","90","","834.45","","","","","","","","","","","","","2","P c a b","-P 2bc 2ac","61","","","","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","2","","Geller, S.","Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering","Acta Crystallographica, Section B","1971","27","","821","828","10.1107/S0567740871002966","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9008275","5.27","","14.097","","16.059","","90","","90","","90","","1193.04","","","","","","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- Ge3 O7 Pb -","- Ge3 O7 Pb -","- Ge24 O56 Pb8 -","8","1","","Otto, H. H.","Die kristallstruktur von PbGe3O7 mit Ge4+ in trigonal-dipyramidaler neben tetraedrischer koordination","Zeitschrift fur Kristallographie","1979","149","","197","205","10.1524/zkri.1979.149.3-4.197","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""
"9009149","5.86","","6.58","","11.33","","90","","90","","90","","436.871","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- Cl H O Zn -","- Cl H O Zn -","- Cl8 H8 O8 Zn8 -","8","1","","Wyckoff R W G","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","282","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009150","5.903","","6.7","","11.86","","90","","90","","90","","469.064","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- Br Co H O -","- Br Co H O -","- Br8 Co8 H8 O8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","282","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009309","10.213","","15.878","","9.058","","90","","90","","90","","1468.86","","","","","","","","","","","","Ilimaussaq alkaline intrusion, South Greenland","6","P c a b","-P 2bc 2ac","61","","","Kvanefjeldite","- Ca0.5 H2 Mn0.5 Na4 O16 Si6 -","- Ca0.5 H2 Mn0.5 Na4 O16 Si6 -","- Ca2 H8 Mn2 Na16 O64 Si24 -","4","0.5","","Johnsen, O.; Leonardsen, E. S.; Falth, L.; Annehed, H.","Crystal structure of kvanefjeldite: The introduction of [Si3O7OH] layers with eight-membered rings","Neues Jahrbuch fur Mineralogie, Monatshefte","1983","1983","","505","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009709","11.181","","13.048","","10.885","","90","","90","","90","","1588.01","","","","","","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","Khademite","- Al F H10 O9 S -","- Al F H10 O9 S -","- Al8 F8 H80 O72 S8 -","8","1","","Bachet, B.; Cesbron, F.; Chevalier, R.","Structure cristalline de la khademite Al(SO4)F*5H2O","Bulletin de Mineralogie","1981","104","","19","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011544","5.903","","6.7","","11.86","","90","","90","","90","","469.064","","","","","","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- Br H O Zn -","- Br H O Zn -","- Br8 H8 O8 Zn8 -","8","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","282","287","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9016581","8.937","","10.278","","9.996","","90","","90","","90","","918.177","","","","","","","","","","","","not given","4","P c a b","-P 2bc 2ac","61","","","Scorodite","- As Fe H4 O6 -","- As Fe H4 O6 -","- As8 Fe8 H32 O48 -","8","1","","Hawthorne, F. C.","The hydrogen positions in scorodite","Acta Crystallographica, Section B","1976","32","","2891","2892","10.1107/S0567740876009138","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017711","12.526","","12.914","","11.664","","90","","90","","90","","1886.78","","","","","","","","","","","","Michalkowa pegmatite, Gory Sowie Block, Poland","8","P c a b","-P 2bc 2ac","61","","","Maneckiite","- Ca2 Fe2.52 H4 Mg1.56 Mn1.92 Na0.9 O26 P6 -","- Ca8 Fe10.08 H16 Mg6.24 Mn7.68 Na3.6 O104 P24 -","- Ca8 Fe10.08 H16 Mg6.24 Mn7.68 Na3.6 O104 P24 -","","","","Pieczka, A.; Hawthorne, F. C.; Golebiowska, B.; Wlodek, A.; Grochowina, A.","Maneckiite, ideally NaCa2Fe2+2(Fe3+Mg)Mn2(PO4)6(H2O)2, a new phosphate mineral of the wicksite supergroup from the Michalkowa pegmatite, Gory Sowie Block, southwestern Poland","Mineralogical Magazine","2017","81","","723","736","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:16",""