# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T14:55:44+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P c 21 n' 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
"1007182","8.506","0.004","4.937","0.004","8.344","0.005","90","","90","","90","","350.4","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Potassium beryllium phosphate","","- Be K O4 P -","- Be K O4 P -","- Be4 K4 O16 P4 -","4","1","","Masse, R; Durif, A","Contribution to the Crystal Chemistry of M(I) M(II) P O~4~ Monophosphates (M(I) = K, Rb, Cs; M(II) = Be)","Journal of Solid State Chemistry","1988","73","","468","472","10.1016/0022-4596(88)90132-6","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008206","14.22","0.01","6.696","0.003","8.672","0.005","90","","90","","90","","825.7","","","","","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","Potassium iodate telluric acid","","- H6 I K O9 Te -","- H6 I K O9 Te -","- H24 I4 K4 O36 Te4 -","4","1","","Averbuch-Pouchot, M. T.","Crystal Chemistry of Some Addition Compounds of Alkali Iodates with Telluric Acid","Journal of Solid State Chemistry","1983","49","","368","378","10.1016/S0022-4596(83)80015-2","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","189207","2020-10-21","18:00:00",""
"1008838","8.75","","9.4","","5.07","","90","","90","","90","","417","","","","","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","Iron(III) gallium oxide (1.15/.85/3)","","- Fe1.15 Ga0.85 O3 -","- Fe1.155 Ga0.845 O3 -","- Fe9.24 Ga6.76 O24 -","8","2","","Bertaut, E F; Bassi, G; Buisson, G; Chappert, J; Delapalme, A; Pauthenet, R; Rebouillat, H P; Aleonard, R","Etude par effet Moessbauer, rayons X, diffraction neutronique et mesures magnetiques de Fe1.15 Ga.85 O3","Journal de Physique (Paris)","1966","27","","433","448","10.1051/jphys:01966002707-8043300","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009028","12.319","0.005","6.374","0.002","11.048","0.004","90","","90","","90","","867.5","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Lithiumozonide - ammonia(1/5)","","- H15 Li N5 O3 -","- H15 Li N5 O3 -","- H60 Li4 N20 O12 -","4","1","","Klein, W M; Jansen, M","Darstellung und Kristallstruktur von LithiumozonidAmmoniakat (1/5) (Li O3) 5(N H3)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1999","54","","1345","1349","","","","","","","0.0986","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1511494","8.791","","16.176","","7.386","","90","","90","","90","","1050.31","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Nd2 Sr3 (B O3)4","","- B4 Nd2 O12 Sr3 -","- B4 Nd2 O12 Sr3 -","- B16 Nd8 O48 Sr12 -","4","1","","Abdullaev, G.K.; Mamedov, Kh.S.","The refinement of the crystal structure of Nd2 Sr3 (B O3)4","Kristallografiya","1982","27","","795","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511734","8.57","","15.8","","7.22","","90","","90","","90","","977.631","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Er2 Sr3 (B O3)4","","- B4 Er2 O12 Sr3 -","- B4 Er2 O12 Sr3 -","- B16 Er8 O48 Sr12 -","4","1","","Mamedov, C.; Abdullaev, G.K.","Kristallicheskaya struktura dboinogo ortoborata erbyia istrontsiya Er2 Sr3 (B O3)4","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1976","17","","188","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511758","8.78","","16.54","","7.42","","90","","90","","90","","1077.54","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","La2 Sr3 (B O3)4","","- B4 La2 O12 Sr3 -","- B4 La2 O12 Sr3 -","- B16 La8 O48 Sr12 -","4","1","","Mamedov, Kh.S.; Abdullaev, G.K.; Amirov, S.T.","Crystal structure of La2 Sr3 (B O3)4","Kristallografiya","1973","18","","1075","1077","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1521814","21.75099","","13.73","","14.218","","90","","90","","90","","4246.08","","","","","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","(Al32 P32 O128) (((C3 H7)4 N) (O H))4","","- C48 H64 Al32 N4 O132 P32 -","- C48 H64 Al32 N4 O132 P32 -","- C48 H64 Al32 N4 O132 P32 -","1","0.25","","Ramaswamy, V.; McCusker, L.B.; Baerlocher, C.","Rietveld refinement of the pure aluminophosphate (Al P O4)-40","Microporous and Mesoporous Materials","1999","31","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526309","5.505","","11.699","","14.276","","90","","90","","90","","919.417","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Bi Cd (V O4) O","","- Bi Cd O5 V -","- Bi Cd O5 V -","- Bi8 Cd8 O40 V8 -","8","2","","Radosavljevic, I.; Sleight, A.W.; Howard, J.A.K.","Synthesis and structure of two new bismuth cadmium vanadates, Bi Cd V O5 and Bi Cd2 V O6, and structures of Bi Ca2 As O6 and Bi Mg2 P O6","International Journal of Inorganic Materials","2000","2","","543","550","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529983","9.35","","11.52","","8.69","","90","","90","","90","","936.017","","","","","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","K Hg I3 H2 O","","- Hg I3 K -","- Hg I3 K -","- Hg4 I12 K4 -","4","1","","Gerken, V.A.; Pakhomov, V.I.","Roentgenographical study of crystals in system K I-Hg I2-H2 O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1969","10","","753","754","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530408","5.128","","6.393","","11.135","","90","","90","","90","","365.042","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Na Y Si O4","","- Na O4 Si Y -","- Na O4 Si Y -","- Na4 O16 Si4 Y4 -","4","1","","Merinov, B.V.; Ilyukhin, V.V.; Maksimov, B.A.; Belov, N.V.","The refinement of the crystal structure of Na, Y-orthosilicate Na Y Si O4","Doklady Akademii Nauk SSSR","1979","248","","1108","1111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534839","6.518","","10.582","","12.995","","90","","90","","90","","896.31","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Rb (Ti O) (P O4)","","- O5 P Rb Ti -","- O5 P Rb Ti -","- O40 P8 Rb8 Ti8 -","8","2","","Lyakhov, A.S.; Selevich, A.F.; Verenich, A.I.","Crystal structure of rubidium titanilphosphate alpha RbTiOPO4","Zhurnal Neorganicheskoi Khimii","1993","38","","1121","1124","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534942","6.346","","10.555","","12.776","","90","","90","","90","","855.762","","","","","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","K Cr P O4 F","","- Cr F K O4 P -","- Cr F K O4 P -","- Cr8 F8 K8 O32 P8 -","8","2","","Slobodyanik, N.S.; Nagornyi, P.G.; Kornienko, Z.I.; Kapshuk, A.A.","Crystal structure of fluorophosphate KCrPO4F.","Zhurnal Neorganicheskoi Khimii","1991","36","","1390","1392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536126","13.38","","7.666","","9.728","","90","","90","","90","","997.811","","","","","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","Rb2 (Zn Br4)","","- Br4 Rb2 Zn -","- Br4 Rb2 Zn -","- Br16 Rb8 Zn4 -","4","1","","Novikova, M.S.; Tamazyan, R.A.; Simonov, V.I.","X-ray structural study of a high temperature modification of Rb2 Zn Br4, T= 368 K","Kristallografiya","1991","36","","1380","1387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536839","10.403","","7.512","","13.941","","90","","90","","90","","1089.45","","","","","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","Pb (Ru (N O) (N O2)4 (O H)) (H2 O)0.5","","- H2 N5 O10.5 Pb Ru -","- H2 N5 O10.5 Pb Ru -","- H8 N20 O42 Pb4 Ru4 -","4","1","","Kokunova, V.N.; Stash, A.","Crystal structure of Pb (Ru N O (N O2)4 O H) . 0.5(H2 O)","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1994","20","","862","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541747","9.57","","17.3","","6.98","","90","","90","","90","","1155.62","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Al3 (P O4)2 (O H)3 (H2 O)6","","- Al3 H15 O17 P2 -","- Al3 O17 P2 -","- Al12 O68 P8 -","4","1","","Fu, P.Q.","The crystal structure of wavellite","Ti Chih Ko Hsueh (= Scientia Geologica Sinica)","1966","2","","116","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2003898","5.114","0.005","10.896","0.003","20.883","0.006","90","","90","","90","","1163.6","1.2","293","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","HU1117","Lyubchova, A.; Cossé-Barbi, A.; Doucet, J. P.; Robert, F.; Souron, J.-P.; Quarton, M.","Salicylaldehyde Benzoyl Hydrazone","Acta Crystallographica Section C","1995","51","9","1893","1895","10.1107/S0108270195003076","","","0.71069","MoKα","","","0.035","","","0.033","","","","","1.47","1.47","","","","","has coordinates","198480","2020-10-21","18:00:00",""
"2105981","4.8727","0.0005","16.0701","0.0017","23.129","0.002","90","","90","","90","","1811.1","0.3","100","2","100","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C9 H23 Br2 Ca N3 O7 -","- C9 H23 Br2 Ca N3 O7 -","- C36 H92 Br8 Ca4 N12 O28 -","4","1","GP5078","Lamberts, Kevin; Möller, Andreas; Englert, Ulli","Enantiopure and racemic alanine as bridging ligands in Ca and Mn chain polymers","Acta Crystallographica Section B","2014","70","6","989","998","10.1107/S2052520614021398","","","0.71073","MoKα","","0.0326","0.0282","","","0.0601","0.0622","","","","","","1.027","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106186","5.828","","6.769","","21.69","","90","","90","","90","","855.665","","","","","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","Cu3 (N O3) (O H)2 (P2 H3) (H2 O)","","- Cu3 H7 N O6 P2 -","- Cu3 N O6 P2 -","- Cu12 N4 O24 P8 -","4","1","","Declercq, J.P.; Piret, P.; Germain, G.","Composition et structure de la likasite, Cu3 P2 H3 (N O3) (O H)2 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1422","1427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2202949","10.174","0.004","12.653","0.003","19.559","0.009","90","","90","","90","","2517.9","1.6","298","2","298","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C27 H22 Cr O7 -","- C27 H22 Cr O7 -","- C108 H88 Cr4 O28 -","4","1","WN6168","Hansen, Lars Kr.","Pentacarbonyl[ethoxy(2-ethoxy-4,5-diphenyl-1,3-cyclopentadienyl)carbene]chromium(0)","Acta Crystallographica Section E","2003","59","9","m703","m704","10.1107/S1600536803017082","","","0.71069","MoKα","","0.0624","0.0382","","","0.1015","0.1132","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2222978","6.5322","0.0007","10.7228","0.0009","13.0782","0.0005","90","","90","","90","","916.04","0.13","293","","293","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","potassium vanadium tungsten bis(arsenate oxide)","","- As2 K1.642 O10 V1.78 W0.22 -","- As2 K1.642 O10 V1.78 W0.22 -","- As8 K6.568 O40 V7.12 W0.88 -","4","1","BR2112","Belkhiri, Sabrina; Kars, Mohammed; Mezaoui, Djillali","K~1.65~V~1.78~W~0.22~O~2~(AsO~4~)~2~","Acta Crystallographica Section E","2009","65","9","i69","","10.1107/S1600536809033133","","","0.71069","MoKα","","0.0633","0.0478","","","0.063","0.0643","","","","","","2.88","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2235598","6.5368","0.0002","10.7228","0.0005","13.0666","0.0004","90","","90","","90","","915.87","0.06","150","2","150","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","dipotassium divanadium dioxide diarsenate","","- As2 K2 O10 V2 -","- As2 K2 O10 V2 -","- As8 K8 O40 V8 -","4","1","RU2035","Belkhiri, Sabrina; Mezaoui, Djillali; Roisnel, Thierry","K~2~V~2~O~2~(AsO~4~)~2~","Acta Crystallographica Section E","2012","68","7","i54","","10.1107/S1600536812027183","","","0.71069","MoKα","","0.031","0.0276","","","0.0333","0.0339","","","","","","1.6","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2310616","5.348","","7.615","","5.417","","90","","90","","90","","220.607","","","","","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","Cd Ti O3","","- Cd O3 Ti -","- Cd O3 Ti -","- Cd4 O12 Ti4 -","4","1","","Kay, H.F.; Miles, J.L.","The Structure of Cadmium Titanate and Sodium Tantalate","Acta Crystallographica (1,1948-23,1967)","1957","10","","213","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310617","5.4941","","7.7508","","5.513","","90","","90","","90","","234.764","","","","","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","Na (Ta O3)","","- Na O3 Ta -","- Na O3 Ta -","- Na4 O12 Ta4 -","4","1","","Kay, H.F.; Miles, J.L.","The structure of cadmium titanate and sodium tantalate","Acta Crystallographica (1,1948-23,1967)","1957","10","","213","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4000209","11.694","0.004","14.972","0.006","15.561","0.005","90","","90","","90","","2724.5","1.7","293","2","293","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C18 H20 Cd F12 O8 -","- C18 H20 Cd F12 O8 -","- C72 H80 Cd4 F48 O32 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm021183m","","","0.71069","MoKα","","0.0587","0.0421","","","0.1224","0.1399","","","","","","0.935","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4020813","8.969","0.001","12.185","0.002","20.729","0.004","90","","90","","90","","2265.4","0.6","100","2","100","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C21 H28 N4 O7 -","- C21 H28 N4 O7 -","- C84 H112 N16 O28 -","4","1","","Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust","Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect","Journal of Organic Chemistry","2004","69","","536","542","10.1021/jo035416k","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020814","8.3587","0.0002","13.4737","0.0003","15.2534","0.0004","90","","90","","90","","1717.88","0.07","100","2","100","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C15 H25 F6 O P -","- C15 H25 F6 O P -","- C60 H100 F24 O4 P4 -","4","1","","Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust","Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect","Journal of Organic Chemistry","2004","69","","536","542","10.1021/jo035416k","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021045","7.2339","0.0001","7.5773","0.0002","17.8539","0.0004","90","","90","","90","","978.6","","150","","150","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","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","176467","2020-10-21","18:00:00",""
"4027062","5.985","0.005","7.913","0.005","27.626","0.005","90","0.005","90","0.005","90","0.005","1308.3","1.4","293","","293","","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C15 H13 N O S -","- C15 H13 N O S -","- C60 H52 N4 O4 S4 -","4","1","","Arnab Kumar Maity; Sujit Roy","A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions","Journal of Organic Chemistry","2012","77","","2935","2941","10.1021/jo202359e","","x-ray","0.71073","MoKα","","0.1037","0.0783","","","0.2321","0.2699","","","","","","1.06","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4028897","7.5353","0.0003","21.1912","0.0016","22.4218","0.0009","90","","90","","90","","3580.4","0.3","170","2","170","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C18 H18 N2 O6 S -","- C18 H18 N2 O6 S -","- C144 H144 N16 O48 S8 -","8","2","","Declerck, Valérie; Allouchi, Hassan; Martinez, Jean; Lamaty, Frédéric","2-Trimethylsilylethanesulfonyl (SES) versus Tosyl (Ts) Protecting Group in the Preparation of Nitrogen-Containing Five-Membered Rings. A Novel Route for the Synthesis of Substituted Pyrrolines and Pyrrolidines","The Journal of Organic Chemistry","2007","72","4","1518","1521","10.1021/jo062239p","","","0.71073","MoKα","","0.0908","0.0725","","","0.1826","0.1892","","","","","","1.064","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4030497","6.7064","0.0004","11.229","0.0006","30.71","0.002","90","","90","","90","","2312.7","0.2","","","293","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","","","- C12 H30 B20 -","- C12 B20 -","- C48 B80 -","4","1","","Johnson, S. E.; Gomez, F. A.; Hawthorne, M. F.; Thorne, K. J.; Mackenzie, J. D.","organofunctionalized derivatives of alpha-carborane as molecular precursors to non-oxide ceramics of boron","European Journal of Solid State and Inorganic Chemistry","1992","29","Supp","113","125","","","x-ray","1.5418","CuKα","","","0.065","","","0.076","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4034555","7.4919","0.0005","13.2055","0.0009","15.9971","0.0011","90","","90","","90","","1582.66","0.19","120","","120","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C19 H19 N2 O3 -","- C19 H19 N2 O3 -","- C76 H76 N8 O12 -","4","1","","Zhang, Jing; Han, Fu-She","A Total Synthesis of (±)-Leuconodines D and E.","The Journal of organic chemistry","2019","84","21","13890","13896","10.1021/acs.joc.9b02054","","","0.71073","MoKα","","0.0465","0.0399","","","0.1013","0.1084","","","","","","1.046","","","","has coordinates","223054","2020-10-21","18:00:00",""
"4036973","9.9626","0.0002","14.5776","0.0004","17.0821","0.0004","90","","90","","90","","2480.85","0.1","150","","150","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C12 H16 I N O -","- C12 H16 I N O -","- C96 H128 I8 N8 O8 -","8","2","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","0.71073","MoKα","","0.0379","0.0291","","0.0618","0.0585","0.0618","","","","","","1.0031","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4060702","14.6284","0.0001","18.9827","0.0002","33.4047","0.0004","90","","90","","90","","9276.04","0.16","150","2","150","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C51 H56 N4 O5 Ru -","- C51 H56 N4 O5 Ru -","- C408 H448 N32 O40 Ru8 -","8","2","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062814","15.5177","0.0002","16.831","0.0003","17.4242","0.0003","90","","90","","90","","4550.82","0.13","223","1","223","1","","","","","","","","8","P c 21 n","P -2n -2ac","33","","","","- C47 H52 Cl F3 O3 P2 Ru S -","- C47 H52 Cl F3 O3 P2 Ru S -","- C188 H208 Cl4 F12 O12 P8 Ru4 S4 -","4","1","","Jesœs R. Berenguer; Mar’a Bernechea; Juan ForniŽs; Ana Garc’a; Elena Lalinde","(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.","Organometallics","2004","","","","","10.1021/om049676j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4064738","12.4299","0.0006","17.8892","0.0008","31.737","0.0016","90","","90","","90","","7057.1","0.6","173","2","173","2","","","","","","","","7","P c 21 n","P -2n -2ac","33","","","","- C30 H105 B33 Co N9 O2 Sn3 -","- C30 H105 B33 Co N9 O2 Sn3 -","- C120 H420 B132 Co4 N36 O8 Sn12 -","4","1","","Fleischhauer, Sebastian; Eichele, Klaus; Schellenberg, Inga; Pöttgen, Rainer; Wesemann, Lars","Cobalt, Rhodium, Iridium, and Ruthenium Carbonyl Complexes with Stanna-closo-dodecaborate:103Rh NMR,119Sn Mössbauer Spectroscopy, and Solid-State119Sn NMR","Organometallics","2011","30","11","3200","","10.1021/om200301v","","","0.71073","MoKα","","0.0574","0.0449","","","0.1077","0.1142","","","","","","1.028","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4067906","11.1319","0.0005","12.4006","0.0005","14.9455","0.0006","90","","90","","90","","2063.11","0.15","150","2","150","2","","","","","","","synthesis as described","7","P c 21 n","P -2n -2ac","33","","","","- C14 H14 Cl F12 In N2 O2 -","- C14 H14 Cl F12 In N2 O2 -","- C56 H56 Cl4 F48 In4 N8 O8 -","4","1","","Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François","Indium Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands for Ring-Opening Polymerization ofrac-Lactide: How Does Indium Compare to Aluminum?","Organometallics","2012","31","4","1448","","10.1021/om200906e","","x-ray","0.71073","MoKα","","0.0146","0.0144","","","0.0374","0.0376","","","","","","1.044","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4068868","12.069","0.0009","14.3034","0.0012","15.0363","0.0012","90","","90","","90","","2595.7","0.4","180","","180","","","","","","","","synthesis as described","6","P c 21 n","P -2n -2ac","33","","","","- C26 H36 Cl N2 Nb O2 -","- C26 H36 Cl N2 Nb O2 -","- C104 H144 Cl4 N8 Nb4 O8 -","4","1","","Despagnet-Ayoub, Emmanuelle; Schigand, Sophie; Vendier, Laure; Etienne, Michel","Amine−Phenolate Ligands in Niobium Chemistry: π-Interactions Probed by an Ancillary Alkyne Ligand","Organometallics","2009","28","7","2188","","10.1021/om801139m","","","0.71073","MoKα","","0.0939","0.0622","","","0.1032","0.1136","","","","","","0.96","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4074368","10.571","0.0008","17.7226","0.0014","17.9379","0.0015","90","","90","","90","","3360.6","0.5","293","2","293","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C30 H54 N6 O2 Ti -","- C30 H54 N6 O2 Ti -","- C120 H216 N24 O8 Ti4 -","4","1","","Lee, Alison V.; Schafer, Laurel L.","Group 4 Bis(pyrimidinoxide) Complexes. Investigations of Electronic Effects in Catalytic Hydroamination","Organometallics","2006","25","22","5249","","10.1021/om060587b","","","0.7108","MoKα","","0.0518","0.0388","","","0.0987","0.1057","","","","","","1.024","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4114421","7.1731","0.0001","9.5405","0.0001","27.2413","0.0004","90","","90","","90","","1864.26","0.04","173","2","173","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C6 H22 B18 Co Cs -","- C6 H22 B18 Co Cs -","- C24 H88 B72 Co4 Cs4 -","4","1","","Isabel Rojo; Francesc Teixidor; Raikko Kivekäs; Reijo Sillanpää; Clara Viñas","Formation of Bridging Alkene and Conjugated Dialkenes Exclusively Generated from Alkynes on the [3,3'-Co(1,2-C~2~B~9~H~11~)~2~]^-^ Platform. The Unique Hydroboration Role of [3,3'-Co(1,2-C~2~B~9~H~11~)~2~]^-^","Journal of the American Chemical Society","2003","125","","14720","14721","10.1021/ja037279e","","x-ray","0.71073","MoKα","","0.041","0.0297","","","0.0569","0.0603","","","","","","1.027","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4116421","9.715","0.007","15.052","0.01","22.819","0.015","90","","90","","90","","3337","4","298","","298","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","dipyridiniomethane dodecamethyl-closo-decaborate(2-) acetonitrile","","","- C25 H51 B12 N3 -","- C25 H48 B12 N3 -","- C100 H192 B48 N12 -","4","1","","Toralf Peymann; Carolyn B. Knobler; M. Frederick Hawthorne","An Icosahedral Array of Methyl Groups Supported by an Aromatic Borane Scaffold: The [closo-B12(CH3)12]2- Ion","Journal of the American Chemical Society","1999","121","","5601","5602","10.1021/ja990884q","","","1.5418","CuKα","","0.1351","0.0735","","0.2316","0.1846","","","","1.042","1.128","1.128","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4117748","12.034","0.002","15.092","0.002","15.799","0.004","90","","90","","90","","2869.4","0.9","293","2","293","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C128 H136 Br8 O24 -","8","2","","Francis Beaumier; Marianne Dupuis; Claude Spino; Claude Y. Legault","Formal Intramolecular (4 + 1)-Cycloaddition of Dialkoxycarbenes: Control of the Stereoselectivity and a Mechanistic Portrait","Journal of the American Chemical Society","2012","134","","5938","5953","10.1021/ja211927b","","","1.54176","CuKα","","0.0968","0.0691","","","0.178","0.2029","","","","","","1.031","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4311444","11.302","0.005","16.167","0.005","11.902","0.005","90","","90","","90","","2174.7","1.5","123","2","123","2","","","","","","","synthesis as described","6","P c 21 n","P -2n -2ac","33","[Co(mtH)3I]I","","","- C12 H18 Co I2 N6 S3 -","- C12 H18 Co I2 N6 S3 -","- C48 H72 Co4 I8 N24 S12 -","4","1","","Christopher A. Dodds; Mario-Alexander Lehmann; Jonathan F. Ojo; John Reglinski; Mark D. Spicer","Cobalt Half-Sandwich, Sandwich, and Mixed Sandwich Complexes with Soft Tripodal Ligands","Inorganic Chemistry","2004","43","","4927","4934","10.1021/ic0496525","","x-ray","0.71069","MoKα","","0.0378","0.0293","","","0.0715","0.0747","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4314614","10.8278","0.0017","13.653","0.002","15.313","0.003","90","","90","","90","","2263.8","0.7","260","2","260","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C21 H20 Fe N6 S2 -","- C21 H20 Fe N6 S2 -","- C84 H80 Fe4 N24 S8 -","4","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Pressure Effects on a Spin-Crossover Monomeric Compound [Fe(pmea)(SCN)2] (pmea = bis[(2-pyridyl)methyl]-2-(2-pyridyl)ethylamine)","Inorganic Chemistry","2010","49","","745","751","10.1021/ic902161v","","","0.71073","MoKα","","0.0496","0.0344","","","0.0708","0.0739","","","","","","0.917","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314615","10.4506","0.0003","13.3129","0.0003","14.9914","0.0005","90","","90","","90","","2085.72","0.1","120","2","120","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C21 H20 Fe N6 S2 -","- C21 H20 Fe N6 S2 -","- C84 H80 Fe4 N24 S8 -","4","1","","Bao Li; Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Pressure Effects on a Spin-Crossover Monomeric Compound [Fe(pmea)(SCN)2] (pmea = bis[(2-pyridyl)methyl]-2-(2-pyridyl)ethylamine)","Inorganic Chemistry","2010","49","","745","751","10.1021/ic902161v","","","0.71073","MoKα","","0.0257","0.0234","","","0.0569","0.0575","","","","","","1.004","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4316811","18.978","","10.373","","16.684","","90","","90","","90","","3284.39","","293","2","293","2","","","","","","","","7","P c 21 n","P -2n -2ac","33","","","","- C30 H19 F3 N6 O9 Re2 S -","- C30 H19 F3 N6 O9 Re2 S -","- C120 H76 F12 N24 O36 Re8 S4 -","4","1","","Eva Gómez; Miguel Ángel Huertos; Julio Pérez; Lucía Riera; Amador Menéndez-Velázquez","Organometallic Complexes with Terminal Imidazolato Ligands and Their Use as Metalloligands","Inorganic Chemistry","2010","49","","9527","9534","10.1021/ic1012395","","","0.71073","MoKα","","0.0534","0.036","","","0.0621","0.066","","","","","","0.944","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4319392","9.715","0.007","15.052","0.01","22.819","0.015","90","","90","","90","","3337","4","298","","298","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","dipyridiniomethane dodecamethyl-closo-decaborate(2-) acetonitrile","","","- C25 H51 B12 N3 -","- C25 H48 B12 N3 -","- C100 H192 B48 N12 -","4","1","","Peymann, Toralf; Knobler, Carolyn B.; Khan, Saeed I.; Hawthorne, M. Frederick","Dodecamethyl-closo-dodecaborate(2-)","Inorganic Chemistry","2001","40","6","1291","1294","10.1021/ic0010398","","","1.5418","CuKα","","0.1351","0.0735","","0.2316","0.1846","","","","1.042","1.128","1.128","","","","","has coordinates","210309","2020-10-21","18:00:00",""
"4332956","7.1598","0.0001","8.784","0.0001","31.3428","0.0003","90","","90","","90","","1971.2","0.04","173","2","173","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C15 H27 In N2 O S3 -","- C15 H27 In N2 O S3 -","- C60 H108 In4 N8 O4 S12 -","4","1","","Briand, Glen G.; Cooper, Benjamin F. T.; MacDonald, David B. S.; Martin, Caleb D.; Schatte, Gabriele","Preferred Bonding Motif for Indium Aminoethanethiolate Complexes: Structural Characterization of (Me2NCH2CH2S)2InX/SR (X = Cl, I; R = 4-MeC6H4, 4-MeOC6H4)","Inorganic Chemistry","2006","45","20","8423","8429","10.1021/ic061132h","","","0.71073","MoKα","","0.0428","0.0359","","","0.0854","0.0885","","","","","","1.07","","","","has coordinates","179432","2020-10-21","18:00:00",""
"4336698","8.8359","0.0001","14.7292","0.0002","18.2243","0.0003","90","","90","","90","","2371.81","0.06","160","2","160","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C26 H22 O5 P Re -","- C26 H22 O5 P Re -","- C104 H88 O20 P4 Re4 -","4","1","","Charalampos Triantis; Theodoros Tsotakos; Charalampos Tsoukalas; Marina Sagnou; Catherine Raptopoulou; Aris Terzis; Vassilis Psycharis; Maria Pelecanou; Ioannis Pirmettis; Minas Papadopoulos","Synthesis and Characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)2(OO)] Complexes (M = Re,99mTc) with Acetylacetone and Curcumin as OO Donor Bidentate Ligands","Inorganic Chemistry","2013","52","","12995","13003","10.1021/ic401503b","","","1.54178","CuKα","","0.0271","0.0264","","","0.0639","0.0646","","","","","","1.074","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4339274","24.4282","0.0007","14.1116","0.0007","13.9187","0.0007","90","","90","","90","","4798.1","0.4","","","293","","","","","","","","","2","P c 21 n","P -2n -2ac","33","","","","- Lu12.713 Zn58.534 -","- Lu12.713 Zn58.536 -","- Lu50.852 Zn234.144 -","4","1","","Piao, Shuying; Lidin, Sven","Occupation waves the way you have never seen them: the orthorhombic quasicrystal approximants RE(13)Zn(58+)(delta) (RE = Ho, Er, Tm, and Lu).","Inorganic chemistry","2007","46","16","6452","6463","10.1021/ic700476w","","","0.71069","MoKα","","0.0733","0.0501","","","0.0503","0.0532","","","","2.27","2.27","1.87","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339276","24.5152","0.0006","14.165","0.0007","13.948","0.0007","90","","90","","90","","4843.6","0.4","","","293","","","","","","","","","2","P c 21 n","P -2n -2ac","33","","","","- Tm12.88 Zn58.64 -","- Tm12.88 Zn58.632 -","- Tm51.52 Zn234.528 -","4","1","","Piao, Shuying; Lidin, Sven","Occupation waves the way you have never seen them: the orthorhombic quasicrystal approximants RE(13)Zn(58+)(delta) (RE = Ho, Er, Tm, and Lu).","Inorganic chemistry","2007","46","16","6452","6463","10.1021/ic700476w","","","0.71069","MoKα","","0.085","0.055","","","0.0534","0.0571","","","","2.06","2.06","1.63","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339277","24.6949","0.0001","14.2471","0.0007","14.0449","0.0006","90","","90","","90","","4941.4","0.3","","","293","","","","","","","","","2","P c 21 n","P -2n -2ac","33","","","","- Er12.887 Zn58.817 -","- Er12.887 Zn58.819 -","- Er51.548 Zn235.276 -","4","1","","Piao, Shuying; Lidin, Sven","Occupation waves the way you have never seen them: the orthorhombic quasicrystal approximants RE(13)Zn(58+)(delta) (RE = Ho, Er, Tm, and Lu).","Inorganic chemistry","2007","46","16","6452","6463","10.1021/ic700476w","","","0.71069","MoKα","","0.0806","0.0496","","","0.0518","0.0532","","","","2.59","2.59","2.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339476","14.395","0.0004","15.65","0.0005","26.67","0.001","90","","90","","90","","6008.3","0.3","293","2","293","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C36 H60 Co3 Cr2 O42 -","- C36 H48 Co3 Cr2 O42 -","- C144 H192 Co12 Cr8 O168 -","4","1","","Coronado, Eugenio; Galan-Mascarós, José R; Martí-Gastaldo, Carlos","A ""cation-less"" oxalate-based ferromagnet formed by neutral bimetallic layers: {[Co(H2O)2]3[Cr(ox)3]2(18-crown-6)2}(infinity) (ox = oxalate dianion; 18-crown-6 = C12H24O6).","Inorganic chemistry","2007","46","20","8108","8110","10.1021/ic700808h","","","0.71073","MoKα","","0.0887","0.0615","","","0.1497","0.1655","","","","","","0.96","","","","has coordinates,has disorder","179497","2020-10-21","18:00:00",""
"4343572","9.28673","","5.08216","","8.93493","","90","","90","","90","","421.699","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Rb (Ni P O4)","","- Ni O4 P Rb -","- Ni O4 P Rb -","- Ni4 O16 P4 Rb4 -","4","1","","Henry, P.F.; Hughes, R.W.; Weller, M.T.","Nikel phosphate based zeotype, Rb Ni P O4","Inorganic Chemistry","2000","39","","5420","5421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4510683","8.6339","0.0007","9.7493","0.001","10.677","0.0009","90","","90","","90","","898.73","0.14","120","2","120","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0382","0.0338","","","0.0917","0.0952","","","","","","1.064","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510684","8.6363","0.0007","9.7488","0.001","10.6774","0.0009","90","","90","","90","","898.97","0.14","122.5","0.2","122.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0379","0.0334","","","0.0918","0.0954","","","","","","1.036","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510685","8.6391","0.0007","9.7496","0.0008","10.6781","0.0009","90","","90","","90","","899.39","0.13","125","2","125","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0393","0.0342","","","0.0942","0.0985","","","","","","1.085","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510686","8.6694","0.0008","9.7494","0.0011","10.6773","0.0011","90","","90","","90","","902.46","0.16","150","2","150","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0402","0.0343","","","0.0972","0.1022","","","","","","1.111","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510687","8.7025","0.0008","9.7517","0.0012","10.6812","0.0011","90","","90","","90","","906.45","0.17","175","2","175","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.043","0.0346","","","0.0982","0.1052","","","","","","1.098","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510688","8.7381","0.0008","9.7559","0.0008","10.6842","0.0009","90","","90","","90","","910.81","0.14","200","2","200","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0499","0.0376","","","0.1059","0.1159","","","","","","1.092","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510689","8.7429","0.0008","9.7551","0.0009","10.6814","0.001","90","","90","","90","","910.99","0.15","202.5","0.2","202.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.05","0.0366","","","0.104","0.1146","","","","","","1.078","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510690","8.7476","0.0008","9.7566","0.0011","10.67932","0.00011","90","","90","","90","","911.45","0.13","205","2","205","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0486","0.0349","","","0.0973","0.1083","","","","","","1.069","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510691","8.7516","0.0009","9.75","0.0012","10.6831","0.0011","90","","90","","90","","911.57","0.17","207.5","0.2","207.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0494","0.0348","","","0.0983","0.1088","","","","","","1.082","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510692","8.7564","0.0009","9.7605","0.0012","10.6773","0.0012","90","","90","","90","","912.56","0.18","210","2","210","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0521","0.0358","","","0.1004","0.1128","","","","","","1.082","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510693","8.761","0.0009","9.7586","0.0012","10.678","0.0011","90","","90","","90","","912.92","0.17","212.5","0.2","212.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0519","0.0359","","","0.1","0.1108","","","","","","1.079","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510694","8.766","0.0009","9.758","0.0012","10.6754","0.0011","90","","90","","90","","913.16","0.17","215","2","215","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0541","0.0364","","","0.1021","0.114","","","","","","1.078","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510695","8.7689","0.0009","9.7602","0.001","10.674","0.001","90","","90","","90","","913.55","0.16","217.5","0.2","217.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0552","0.0347","","","0.0963","0.1056","","","","","","0.949","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510696","8.8777","0.0009","9.7614","0.0012","10.684","0.0012","90","","90","","90","","925.86","0.18","220","2","220","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0612","0.0369","","","0.1075","0.1241","","","","","","1.105","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510706","8.496","0.004","9.4293","0.0016","10.6475","0.0013","90","","90","","90","","853","0.4","296","2","296","2","1000000","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.1094","0.1005","","","0.2092","0.2142","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4514237","10.13","0.002","14.433","0.003","16.554","0.004","90","","90","","90","","2420.3","0.9","173","2","173.15","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C28 H29 Cl Fe P S -","- C28 H29 Cl Fe P S -","- C112 H116 Cl4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0314","0.0289","","","0.0722","0.0742","","","","","","1.04","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514238","10.1455","0.0006","14.4475","0.0009","16.7227","0.0012","90","","90","","90","","2451.2","0.3","173","2","173.15","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C29 H29 Fe O P S -","- C29 H29 Fe O P S -","- C116 H116 Fe4 O4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0478","0.0347","","","0.0643","0.0682","","","","","","1.025","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4517535","4.495","0.0006","13.8963","0.0016","19.758","0.003","90","","90","","90","","1234.2","0.3","295","2","295","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C16 H6 F2 N4 O -","- C16 H6 F2 N4 O -","- C64 H24 F8 N16 O4 -","4","1","","Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Eltsov, Oleg S.; Slepukhin, Pavel A.; Tameev, Alexey R.; Nekrasova, Natalia V.; Rusinov, Gennady L.; Nunzi, Jean-Michel; Chupakhin, Oleg N.; Charushin, Valery N.","Dibenzo[f,h]furazano[3,4-b]quinoxalines: Synthesis by Intramolecular Cyclization through Direct Transition Metal-Free C‒H Functionalization and Electrochemical, Photophysical, and Charge Mobility Characterization","ACS Omega","2020","","","","","10.1021/acsomega.0c00479","","x-ray","0.71073","MoKα","","0.1239","0.0801","","","0.1945","0.2399","","","","","","1.02","","","","has coordinates,has disorder","249870","2020-10-21","18:00:00",""
"7005667","10.434","0.001","10.72","0.0006","14.691","0.002","90","","90","","90","","1643.2","0.3","293","2","293","2","","","","","","","synthesis as described","6","P c 21 n","P -2n -2ac","33","","","","- C13 H13 Br Cl N3 O6 -","- C13 H13 Br Cl N3 O6 -","- C52 H52 Br4 Cl4 N12 O24 -","4","1","","Bernhardt, Paul V.; Chin, Piao; Sharpe, Philip C.; Richardson, Des R.","Hydrazone chelators for the treatment of iron overload disorders: iron coordination chemistry and biological activity.","Dalton transactions (Cambridge, England : 2003)","2007","","30","3232","3244","10.1039/b704102k","","x-ray","0.71073","MoKα","","0.1363","0.0386","","","0.0658","0.0833","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013193","8.526","0.005","14.119","0.005","15.25","0.005","90","","90","","90","","1835.8","1.4","293","2","293","2","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C14 H17 Fe N12 -","- C14 H17 Fe N12 -","- C56 H68 Fe4 N48 -","4","1","","Mukherjee, Jhumpa; Balamurugan, V.; Gupta, Rajeev; Mukherjee, Rabindranath","Synthesis and properties of FeIII and CoIII complexes: structures of [(L2)Fe(N3)3], [(L2)2Fe2(�-O)(�-O2CMe)2][ClO4]2�2H2O and [(L2)2Co2(�-OH)2(�-O2CMe)][ClO4]3�MeCN [L2 = methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine]Electronic supplementary information (ESI) available: Fig. S1?S3 discussed in the text. See http://www.rsc.org/suppdata/dt/b3/b305470e/","Dalton Transactions","2003","","19","3686","","10.1039/b305470e","","","0.71073","MoKα","","0.0972","0.0546","","","0.1278","0.1483","","","","","","1.008","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7016918","11.0493","0.0002","12.7288","0.0002","16.2947","0.0002","90","","90","","90","","2291.76","0.06","120","2","120","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C27 H18 N3 O4 Re -","- C27 H18 N3 O4 Re -","- C108 H72 N12 O16 Re4 -","4","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","","0.0286","0.0248","","","0.0476","0.0488","","","","","","1.097","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7018668","9.388","0.0003","13.0791","0.0004","24.1874","0.0007","90","","90","","90","","2969.89","0.16","150","2","150","2","","","","","","","synthesis as described","6","P c 21 n","P -2n -2ac","33","","","","- C33 H33 Cl2 O2 P Ru -","- C33 H33 Cl2 O2 P Ru -","- C132 H132 Cl8 O8 P4 Ru4 -","4","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","","0.0352","0.0319","","","0.0795","0.0821","","","","","","1.052","","","","has coordinates,has disorder","179890","2020-10-21","18:00:00",""
"7025395","10.6792","0.0001","17.0739","0.0003","18.7096","0.0003","90","","90","","90","","3411.43","0.09","293","","293","","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C27 H33 N6 O14 Tb -","- C27 H33 N6 O14 Tb -","- C108 H132 N24 O56 Tb4 -","4","1","","Mooibroek, Tiddo Jonathan; Gamez, Patrick; Pevec, Andrej; Kasunic, Marta; Kozlevcar, Bojan; Fu, Wen-Tian; Reedijk, Jan","Efficient, stable, tunable, and easy to synthesize, handle and recycle luminescent materials: [H2NMe2]3[Ln(III)(2,6-dipicolinolate)3] (Ln = Eu, Tb, or its solid solutions).","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6483","6487","10.1039/c000076k","","","0.71072","MoKα","","0.045","0.03","","0.041","","0.024","","","1.752","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7026585","8.908","0.0001","15.605","0.0003","36.693","0.0006","90","","90","","90","","5100.67","0.14","150","2","150","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C24 H46 Li N3 O -","- C24 H46 Li N3 O -","- C192 H368 Li8 N24 O8 -","8","2","","Cousins, David M.; Davidson, Matthew G.; García-Vivó, Daniel; Mahon, Mary F.","Structural diversity in polyamine Lewis base stabilised lithium aryloxides.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8203","8209","10.1039/c0dt00522c","","","0.71073","MoKα","","0.0937","0.0637","","","0.0998","0.1077","","","","","","1.067","","","","has coordinates","179971","2020-10-21","18:00:00",""
"7027417","9.1846","0.0003","13.9712","0.0005","14.6305","0.0003","90","","90","","90","","1877.38","0.1","173","2","173","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C12 H26 Cl Na O11 -","- C12 H26 Cl Na O11 -","- C48 H104 Cl4 Na4 O44 -","4","1","","Steed, Jonathan W.; Junk, Peter C.","Stabilisation of sodium complexes of 18-crown-6 by intramolecular hydrogen bonding †","Journal of the Chemical Society, Dalton Transactions","1999","","13","2141","","10.1039/a902358e","","","0.7107","MoKα","","0.0319","0.0298","","","0.0745","0.0766","","","","","","1.059","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7033799","13.123","0.0003","13.736","0.0007","22.358","0.0004","90","","90","","90","","4030.2","0.2","173","2","173","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C22 H60 Ag2 N2 Si8 -","- C22 H60 Ag2 N2 Si8 -","- C88 H240 Ag8 N8 Si32 -","4","1","","Sgro, Michael J.; Piers, Warren E.; Romero, Patricio E.","Synthesis, structural characterization and thermal properties of copper and silver silyl complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3817","3828","10.1039/c4dt03770g","","","0.71073","MoKα","","0.0681","0.0556","","","0.1098","0.1175","","","","","","1.16","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7053667","15.814","0.002","15.9037","0.001","18.4974","0.0016","90","","90","","90","","4652.1","0.8","293","2","293","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C44 H45 Cu2 N10 O14.5 -","- C44 H36 Cu2 N10 O14.5 -","- C176 H144 Cu8 N40 O58 -","4","1","","Déniz, Mariadel; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Metal-organic coordination frameworks based on mixed methylmalonate and 4,4′-bipiridine ligands: synthesis, crystal structure and magnetic properties","New Journal of Chemistry","2010","34","11","2515","","10.1039/c0nj00436g","","x-ray","0.71073","MoKα","","0.1117","0.0597","","","0.125","0.147","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112388","8.1095","0.0001","15.6301","0.0003","16.3634","0.0003","90","","90","","90","","2074.1","0.06","150","","150","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C22 H31 Al N2 -","- C22 H31 Al N2 -","- C88 H124 Al4 N8 -","4","1","","Abdalla, Joseph A. B.; Riddlestone, Ian M.; Tirfoin, Remi; Phillips, Nicholas; Bates, Joshua I.; Aldridge, Simon","Al-H σ-bond coordination: expanded ring carbene adducts of AlH3 as neutral bi- and tri-functional donor ligands.","Chemical communications (Cambridge, England)","2013","49","49","5547","5549","10.1039/c3cc42342e","","","0.71073","MoKα","","0.0507","0.0411","","0.1008","0.0889","0.1008","","","","","","0.9516","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117432","8.5261","","5.3562","","8.9064","","90","","90","","90","","406.733","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Rb (Cu P O4)","","- Cu O4 P Rb -","- Cu O4 P Rb -","- Cu4 O16 P4 Rb4 -","4","1","","Henry, P.F.; Hughes, R.W.; Weller, M.T.; Ward, S.C.","Rb Cu P O4 - a maximum copper tetrahedral framework adopting the zeotype ABW structure","Chemical Communications","2000","2000","","1959","1960","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7152392","4.1304","0.0002","12.9948","0.0005","21.5358","0.0009","90","","90","","90","","1155.91","0.09","150","2","150","2","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C9 H7 I2 N3 O -","- C9 H7 I2 N3 O -","- C36 H28 I8 N12 O4 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0235","0.0228","","","0.0498","0.0502","","","","","","1.056","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152394","4.3176","0.0003","13.3505","0.001","15.2661","0.0012","90","","90","","90","","879.97","0.11","150","2","150","2","","","","","","","synthesis as described","4","P c 21 n","P -2n -2ac","33","","","","- C8 H6 I N3 -","- C8 H6 I N3 -","- C32 H24 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0228","0.0183","","","0.0398","0.0419","","","","","","1.064","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152395","4.2056","0.0005","13.2551","0.0018","17.169","0.002","90","","90","","90","","957.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C8 H5 Cl I N3 -","- C8 H5 Cl I N3 -","- C32 H20 Cl4 I4 N12 -","4","1","","Chevallier, Floris; Blin, Thomas; Nagaradja, Elisabeth; Lassagne, Frédéric; Roisnel, Thierry; Halauko, Yury S.; Matulis, Vadim E.; Ivashkevich, Oleg A.; Mongin, Florence","Deproto-metallation and computed CH acidity of 2-aryl-1,2,3-triazoles.","Organic & biomolecular chemistry","2012","10","25","4878","4885","10.1039/c2ob25554e","","x-ray","0.71073","MoKα","","0.0196","0.0183","","","0.0418","0.0424","","","","","","1.056","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7218542","14.639","0.006","17.452","0.007","23.468","0.009","90","","90","","90","","5996","4","223","2","223","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl N26 Nd O29 -","- C40 H44 Cl N26 Nd O23 -","- C160 H176 Cl4 N104 Nd4 O92 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0841","0.0587","","","0.1414","0.1525","","","","","","1.011","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218543","14.6418","0.0017","17.407","0.002","23.369","0.003","90","","90","","90","","5956.1","1.2","293","2","293","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl N26 O29 Sm -","- C40 H44 Cl N26 O23 Sm -","- C160 H176 Cl4 N104 O92 Sm4 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.0536","0.0458","","","0.1248","0.1305","","","","","","1.054","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218544","14.641","0.003","17.416","0.004","23.351","0.005","90","","90","","90","","5954","2","223","2","223","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C40 H66 Cl Eu N26 O29 -","- C40 H44 Cl Eu N26 O23 -","- C160 H176 Cl4 Eu4 N104 O92 -","4","1","","Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang","Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides","CrystEngComm","2014","16","46","10674","","10.1039/C4CE00870G","","","0.71073","MoKα","","0.067","0.0541","","","0.1421","0.1515","","","","","","1.019","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7226797","6.0216","0.0001","18.9648","0.0004","19.659","0.0005","90","","90","","90","","2245.03","0.08","298","","298","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","","","- C28 H27 N3 -","- C28 H27 N3 -","- C112 H108 N12 -","4","1","","Girgis, AS; Ismail, Nasser Saad; George, Riham F.; Serya, Rabah; Baselious, Fady N.; El-Manawaty, May; Shalaby, ElSayed M.","Rational design, synthesis and 2D-QSAR studies of antiproliferative tropane-based compounds","RSC Adv.","2016","","","","","10.1039/C6RA21486J","","","0.71073","MoKα","","0.1819","0.0376","","0.1017","0.0775","0.0775","","","","","","1.067","","","","has coordinates","187332","2020-10-21","18:00:00",""
"7233132","10.701","0.002","16.98","0.004","18.627","0.004","90","","90","","90","","3384.6","1.3","293","2","293","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C27 H26 Gd N6 O14 -","- C27 H27 Gd N6 O14 -","- C108 H108 Gd4 N24 O56 -","4","1","","Huabin Zhang; Xiaochen Shan; Liujiang Zhou; Ping Lin; Renfu Li; En Ma; Xiangguang Guo; Shaowu Du","Full-colour fluorescent materials based on mixed-lanthanide(III) metal-organic complexes with high-efficiency white light emission","Journal of Materials Chemistry C","2013","1","","888","891","10.1039/C2TC00414C","","","0.71073","MoKα","","0.0374","0.0268","","","0.0821","0.1066","","","","","","1.082","","","","has coordinates","217042","2020-10-21","18:00:00",""
"7238474","9.902","0.003","10.38","0.001","21.015","0.001","90","","90","","90","","2160","0.7","293","2","293","2","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C23 H24 Cl N O2 Ru -","- C23 H24 Cl N O2 Ru -","- C92 H96 Cl4 N4 O8 Ru4 -","4","1","","Godó, Attila J.; Bényei, Attila Cs.; Duff, Brian; Egan, Denise A.; Buglyó, Péter","Synthesis and X-ray diffraction structures of novel half-sandwich Os(ii)-and Ru(ii)-hydroxamate complexes","RSC Adv.","2012","2","4","1486","","10.1039/C1RA00998B","","","0.71073","MoKα","","0.0946","0.0654","","","","0.1126","","","","","","1.123","","","","has coordinates","244188","2020-10-21","18:00:00",""
"9010466","9.414","","5.435","","8.875","","90","","90","","90","","454.09","","","","","","","","","","","","Synthetic","4","P c 21 n","P -2n -2ac","33","","","","- Al Cs O4 Si -","- Al Cs O4 Si -","- Al4 Cs4 O16 Si4 -","4","1","","Gatta, G. D.; Rotiroti, N.; Zanazzi, P. F.; Rieder, M.; Drabek, M.; Weiss, Z.; Klaska, R.","Synthesis and crystal structure of the feldspathoid CsAlSiO4: An open-framework silicate and potential nuclear waste disposal phase","American Mineralogist","2008","93","","988","995","10.2138/am.2008.2729","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""