# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-12T08:09:21+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/n c m :2' 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
"1006027","5.48","0.001","5.48","0.001","12.057","0.003","90","","90","","90","","362.1","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Dineodymium nickel oxide","","- Nd2 Ni O4 -","- Nd2 Ni O4 -","- Nd8 Ni4 O16 -","4","0.25","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L; Fernandez, F; Saez-Puche, R","Structural phase transitions and three-dimensional magnetic ordering in the Nd~2~NiO~4~ oxide","Europhysics Letters","1990","11","","261","268","10.1209/0295-5075/11/3/013","","","","","","0.0733","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006043","5.4995","0.0001","5.4995","0.0001","12.5052","0.0002","90","","90","","90","","378.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Lanthanum nickel oxide","","- La2 Ni O4 -","- La2 Ni O4 -","- La8 Ni4 O16 -","4","0.25","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L","Neutron diffraction study on structural and magnetic properties of La~2~NiO~4~","Journal of Physics: Condensed Matter","1991","3","","3215","3234","10.1088/0953-8984/3/19/002","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006058","5.49","0.01","5.49","0.01","12.17","0.02","90","","90","","90","","366.8","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide","","- Ni O4 Pr2 -","- Ni O4 Pr2 -","- Ni4 O16 Pr8 -","4","0.25","","Fernandez-Diaz, M T; Martinez, J L; Rodriguez-Carvajal, J; Beille, J; Martinez, B; Obradors, X; Odier, P","Metamagnetism in single-crystal Pr2NiO4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","47","","5834","5840","10.1103/PhysRevB.47.5834","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006113","5.4492","0.0002","5.4492","0.0002","12.5362","0.0006","90","","90","","90","","372.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide (2/1/4.18)","","- Ni O4.18 Pr2 -","- Ni O4.18 Pr2 -","- Ni4 O16.72 Pr8 -","4","0.25","","Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L","Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d","Zeitschrift fuer Physik, B (1984-)","1995","100","","85","90","","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006114","5.4492","0.0002","5.4492","0.0002","12.5361","0.0006","90","","90","","90","","372.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide (2/1/4.2)","","- Ni O4.2 Pr2 -","- Ni O4.2 Pr2 -","- Ni4 O16.8 Pr8 -","4","0.25","","Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L","Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d","Zeitschrift fuer Physik, B (1984-)","1995","100","","85","90","","","","","","","0.111","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006115","5.4491","0.0002","5.4491","0.0002","12.5359","0.0006","90","","90","","90","","372.2","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Praseodymium nickel oxide (2/1/4.22)","","- Ni O4.216 Pr2 -","- Ni O4.216 Pr2 -","- Ni4 O16.864 Pr8 -","4","0.25","","Allancon, C; Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Odier, P; Bassat, J M; Loup, J P; Martinez, J L","Crystal structure of the high temperature phase of oxidised Pr2 Ni O4+d","Zeitschrift fuer Physik, B (1984-)","1995","100","","85","90","","","","","","","0.115","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507799","19.7213","0.0013","19.7213","0.0013","39.411","0.003","90","","90","","90","","15328.1","1.8","258","2","258","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C48 H24 O13 Zn4 -","- C48 H24 O13 Zn4 -","- C192 H96 O52 Zn16 -","4","0.25","","Tranchemontagne, David J.; Park, Kyo Sung; Furukawa, Hiroyasu; Eckert, Juergen; Knobler, Carolyn B.; Yaghi, Omar M.","Hydrogen Storage in New Metal‒Organic Frameworks","The Journal of Physical Chemistry C","2012","116","24","13143","","10.1021/jp302356q","","","0.71073","MoKα","","0.0951","0.0526","","","0.1336","0.1554","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510582","10.39","","10.39","","9.79","","90","","90","","90","","1056.85","","","","","","","","","","","","","2","P 42/n c m :2","-P 4ac 2ac","138","","","","- Au6 Sm -","- Au6 Sm -","- Au48 Sm8 -","8","0.5","","Parthe, E.; Moreau, J.M.","Determination of the crystal structure of Sm Au6","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie B","1972","274","","823","826","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510610","4.296","","4.296","","12.146","","90","","90","","90","","224.162","","","","","","","","","","","","","2","P 42/n c m :2","-P 4ac 2ac","138","","","","- Au Br -","- Au Br -","- Au4 Br4 -","4","0.25","","Wiegers, G.A.; Janssen, E.M.W.","Crystal growth and the crystal structures of two modifications of gold monobromide, I-AuBr and P-Au Br","Journal of the Less-Common Metals","1978","57","","58","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511485","7.183","","7.183","","4.005","","90","","90","","90","","206.64","","","","","","","","","","","","","2","P 42/n c m :2","-P 4ac 2ac","138","","Mn4 B4","","- B4 Mn4 -","- B4 Mn4 -","- B8 Mn8 -","2","0.125","","Kuz'ma, Yu.B.; Mykhalenko, S.I.; Zavalii, P.Yu.","New incommensurate structures of the borides Pr41(Mn4B4)35 and Pr7(Re4B4)6","Journal of Alloys Compd.","1994","203","","55","59","10.1016/0925-8388(94)90714-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515601","10.6331","0.0004","10.6331","0.0004","5.6597","0.0003","90","","90","","90","","639.9","0.05","566","2","566","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- Ca2 F H7 Ir O7 -","- Ca2 F H7 Ir O7 -","- Ca8 F4 H28 Ir4 O28 -","4","0.25","","Sardar, Kripasindhu; Fisher, Janet; Thompsett, David; Lees, Martin R.; Clarkson, Guy J.; Sloan, Jeremy; Kashtiban, Reza J.; Walton, Richard I.","Structural variety in iridate oxides and hydroxides from hydrothermal synthesis","Chemical Science","2011","2","8","1573","","10.1039/c1sc00192b","","","0.71073","MoKα","","0.0379","0.0188","","","0.0443","0.0478","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517785","14.562","0.004","14.562","0.004","5.852","0.003","90","","90","","90","","1240.9","0.8","291","2","291","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H6 Br2 N2 -","- C12 H6 Br2 N2 -","- C48 H24 Br8 N8 -","4","0.25","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.1609","0.0583","","","0.1538","0.1785","","","","","","0.7","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1528783","11.616","","11.616","","12.677","","90","","90","","90","","1710.53","","","","","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","(N H4) (Al F4)","","- Al F4 H4 N -","- Al F4 H4 N -","- Al20 F80 H80 N20 -","20","1.25","","Parnham, E.R.; Slawin, A.M.Z.; Morris, R.E.","Ionothermal synthesis of beta-N H4 Al F4 and the determination by single crystal x-ray diffraction of its room temperature and low temperature phases","Journal of Solid State Chemistry","2007","180","","49","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532356","10.6457","","10.6457","","5.2156","","90","","90","","90","","591.089","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Tb2 O (Se O3)2","","- O7 Se2 Tb2 -","- O7 Se2 Tb2 -","- O28 Se8 Tb8 -","4","0.25","","Wontcheu, J.; Schleid, T.","Tb2 Se2 O7: terbium(III) oxide oxoselenate(IV) according to Tb2 O (Se O3)2 with a ""lone-pair"" channel structure","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1941","1945","","","","","","","","","","","","","","","","","","","","","","has coordinates","158056","2020-10-21","18:00:00",""
"1534918","10.896","","10.896","","10.41","","90","","90","","90","","1235.91","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Se4 (Zr Cl6)","","- Cl6 Se4 Zr -","- Cl6 Se4 Zr -","- Cl24 Se16 Zr4 -","4","0.25","","Beck, J.; Schlitt, K.J.","Chalkogen polycations with mononuclear divalent anions from chalkogen subhalides and tetrachlorides of Zr and Hf: synthesis and crystal structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)","Chemische Berichte","1995","128","","763","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534922","10.884","","10.884","","10.409","","90","","90","","90","","1233.06","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Se4 (Hf Cl6)","","- Cl6 Hf Se4 -","- Cl6 Hf Se4 -","- Cl24 Hf4 Se16 -","4","0.25","","Beck, J.; Schlitt, K.J.","Chalkogen polycations with mononuclear divalent anions from chalkogen subhalides and tetrachlorides of Zr and Hf: synthesis and crystal structures of Se4 (M Cl6) (M= Zr, Hf) and Te4 (Hf Cl6)","Chemische Berichte","1995","128","","763","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536745","20.81","","20.81","","10.397","","90","","90","","90","","4502.48","","","","","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","Cs5 (P Co (H2 O) W11 O39) (H2 O)3","","- Cs4.998 O43 P W10.998 -","- Cs4.998 O43 P W10.998 -","- Cs19.992 O172 P4 W43.992 -","4","0.25","","Klevtsova, R.F.; Yurchenko, E.N.; Glinskaya, L.A.; Kuznetsova, L.I.; Lazarenko, T.P.; Detusheva, L.G.","Structural and spectral manifestations of anion-cation interaction in mixed salts of P-W-M heteropolyacids. Crystal structure of Cs5(PCo(H2O)W11O39)*3H2O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","102","109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537079","14.808","","14.808","","18.862","","90","","90","","90","","4136","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Ba17 Al3 O7","","- Al3 Ba17 O7 -","- Al3 Ba17 O7 -","- Al12 Ba68 O28 -","4","0.25","","Roehr, C.; George, R.","Das Submetallat Ba17 Al3 O7: Der erste Vertreter einer neuen Verbindungsklasse.","Angewandte Chemie (Edition international)","1995","34","","2115","2116","","","","","","","","","","","","","","","","","","","","","","has coordinates","165071","2020-10-21","18:00:00",""
"1547541","18.576","0.004","18.576","0.004","7.3728","0.0018","90","","90","","90","","2544.1","1","100","2","100","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C19.6 H23.4 Co N6.2 O3.2 -","- C16 H12 Co N5 O2 -","- C64 H48 Co4 N20 O8 -","4","0.25","","Basu, Tathamay; Jesche, Anton; Denysenko, Dmytro; Bredenkoetter, Bjoern; Grzywa, Maciej; Volkmer, Dirk; Loidl, Alois; Krohns, Stephan","Magnetodielectric coupling in a non-perovskite metal-organic framework","Mater. Horiz.","2017","","","","","10.1039/C7MH00716G","","","0.71073","MoKα","","0.2073","0.1652","","","0.3527","0.3728","","","","","","1.206","","","","has coordinates","201697","2020-10-21","18:00:00",""
"1561689","14.126","0.003","14.126","0.003","28.683","0.006","90","","90","","90","","5724","2","113","2","113","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C24 H12 Co2 N11 O5 -","- C24 H12 Co2 N11 O5 -","- C96 H48 Co8 N44 O20 -","4","0.25","","Ren, Guo-Jian; Liu, Yan-Qing; Liu, Sui-Jun","Two novel metal-organic frameworks based on linear dicarboxylic acid and 5-(4-pyridyl)tetrazole","Journal of Solid State Chemistry","2015","232","","79","82","10.1016/j.jssc.2015.09.005","","","0.71073","MoKα","","0.1021","0.0817","","","0.2338","0.2544","","","","","","1.121","","","","has coordinates","264087","2021-04-13","09:45:31",""
"1561690","14.2323","0.0009","14.2323","0.0009","28.235","0.003","90","","90","","90","","5719.2","0.8","113","2","113","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C24 H8 Co2 N12 O5 -","- C24 H8 Co2 N12 O5 -","- C96 H32 Co8 N48 O20 -","4","0.25","","Ren, Guo-Jian; Liu, Yan-Qing; Liu, Sui-Jun","Two novel metal-organic frameworks based on linear dicarboxylic acid and 5-(4-pyridyl)tetrazole","Journal of Solid State Chemistry","2015","232","","79","82","10.1016/j.jssc.2015.09.005","","","0.71073","MoKα","","0.1486","0.0589","","","0.152","0.1695","","","","","","0.804","","","","has coordinates","264087","2021-04-13","09:45:34",""
"1571732","13.7391","0.0015","13.7391","0.0015","25.158","0.003","90","","90","","90","","4748.9","0.9","100","","100","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C46 H64 Os4 Th -","- C46 H64 Os4 Th -","- C184 H256 Os16 Th4 -","4","0.25","","Ye, Christopher Z.; Del Rosal, Iker; Kelly, Sheridon N.; Brackbill, I. Joseph; Maron, Laurent; Camp, Clément; Arnold, John","Photolysis-driven bond activation by thorium and uranium tetraosmate polyhydride complexes","Chemical Science","2024","","","","","10.1039/D4SC02380C","","","0.7288","synchrotron","","0.051","0.0445","","","0.1071","0.1101","","","","","","1.214","","","","has coordinates,has disorder","292131","2024-05-31","22:12:27",""
"2000133","10.043","0.007","10.043","0.007","13.828","0.01","90","","90","","90","","1394.7","1.7","293","2","293","2","","","","","","","","7","P 42/n c m :2","-P 4ac 2ac","138","","","","- C2 H16 F3 Ga3 N2 O12 P2 -","- C2 H16 F3 Ga3 N2 O12 P2 -","- C8 H64 F12 Ga12 N8 O48 P8 -","4","0.25","","Matijasic, Alain; Gramlich, Volker; Patarin, Joël","Further evidence of the efficiency of the fluoride route illustrated by the hydrothermal synthesis and crystal structure of the hydroxyfluorogallophosphate Mu-20","Journal of Materials Chemistry","2001","11","10","2553","","10.1039/b102263f","","","1.54178","CuKα","","0.0354","0.0322","","0.0938","0.0916","","","","1.259","1.296","1.296","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2014617","4.7223","0.0011","4.7223","0.0011","10.298","0.003","90","","90","","90","","229.65","0.1","293","2","293","2","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","lithium chlorite","lithium chlorate(III)","","- Cl Li O2 -","- Cl Li O2 -","- Cl4 Li4 O8 -","4","0.25","BC1064","Smolentsev, Anton I.; Naumov, Dmitry Yu.","Two alkali metal chlorites, LiClO~2~ and KClO~2~","Acta Crystallographica Section C","2005","61","2","i17","i19","10.1107/S0108270104032482","","","0.71073","MoKα","","0.087","0.0466","","","0.09","0.0967","","","","","","0.909","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2100823","15.731","0.002","15.731","0.002","19.115","0.003","90","","90","","90","","4730.3","1.1","","","","","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C30 H26 Cl12 Cu2 N4 O10 -","- C30 Cl12 Cu2 N4 O10 -","- C120 Cl48 Cu8 N16 O40 -","4","0.25","AS0591","Uekusa, H.; Ohba, S.; Tokii, T.; Muto, Y.; Kato, M.; Husebye, S.; Steward, O. W.; Chang, S.-C.; Rose, J. P.; Pletcher, J. F.; Suzuki, I.","Magneto-structural corrections of dimeric copper(II) trichloroacetates","Acta Crystallographica Section B","1992","48","5","650","667","10.1107/S0108768192002908","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208430","2020-10-21","18:00:00",""
"2103684","12.6551","0.0018","12.6551","0.0018","8.734","0.0017","90","","90","","90","","1398.8","0.4","150","","150","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C10 H8 Br4 O4 -","- C10 H8 Br4 O4 -","- C40 H32 Br16 O16 -","4","0.25","BM0041","Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.","Crystal engineering in the <i>gem</i>-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-<i>trans</i>-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150K","Acta Crystallographica Section B","2001","57","4","560","566","10.1107/S0108768101008412","","neutron","","neutron","","0.0607","0.0607","","","","0.0819","","","","","","6.188","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103685","12.6551","0.0018","12.6551","0.0018","8.734","0.0017","90","","90","","90","","1398.8","0.4","150","","150","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C10 H8 Br4 O4 -","- C10 H8 Br4 O4 -","- C40 H32 Br16 O16 -","4","0.25","BM0041","Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C.","Crystal engineering in the <i>gem</i>-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-<i>trans</i>-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150K","Acta Crystallographica Section B","2001","57","4","560","566","10.1107/S0108768101008412","","","0.71073","MoKα","","0.0219","0.0201","","","","0.0532","","","","","","1.224","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105397","10.395","","10.395","","9.706","","90","","90","","90","","1048.79","","","","","","","","","","","","","2","P 42/n c m :2","-P 4ac 2ac","138","","Sm Au6","","- Au6 Sm -","- Au6 Sm -","- Au48 Sm8 -","8","0.5","","Moreau, J.M.; Flack, H.D.; Parthe, E.","Refinement of Sm Au6","Acta Crystallographica B (24,1968-38,1982)","1974","30","","820","821","10.1107/S0567740874003797","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2107349","11.803","","11.803","","23.42","","90","","90","","90","","3262.66","","","","","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","Na3 Be Th10 F45","","- Be F45 Na3 Th10 -","- Be F45 Na3 Th10 -","- Be4 F180 Na12 Th40 -","4","0.25","","Brunton, G.","The crystal Structure of Na3 Be Th10 F45","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2976","2978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2222253","18.3059","0.0009","18.3059","0.0009","5.0494","0.0004","90","","90","","90","","1692.08","0.18","183","2","183","2","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Bis(2,4,6-trimethylphenyl)zinc(II)","","- C18 H22 Zn -","- C18 H22 Zn -","- C72 H88 Zn4 -","4","0.25","BT2971","Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Bis(2,4,6-trimethylphenyl)zinc(II)","Acta Crystallographica Section E","2009","65","7","m809","","10.1107/S1600536809023186","","","0.71073","MoKα","","0.1","0.0709","","","0.2334","0.2701","","","","","","1.128","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2231141","17.017","0.003","17.017","0.003","7.4099","0.0015","90","","90","","90","","2145.7","0.7","123","2","123","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","bis[hydrotris(pyrazol-1-yl)borato]iron(II)","","- C18 H20 B2 Fe N12 -","- C18 H20 B2 Fe N12 -","- C72 H80 B8 Fe4 N48 -","4","0.25","HG5058","Ni, Zhong-Hai; Li, Guo-Ling; Ma, Rui; Nie, Jing","A tetragonal polymorph of bis[hydrotris(pyrazol-1-yl)borato]iron(II)","Acta Crystallographica Section E","2011","67","8","m1033","","10.1107/S1600536811025839","","","0.71073","MoKα","","0.0374","0.0372","","","0.1224","0.1226","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"4002551","5.4731","","5.4731","","29.0138","","90","","90","","90","","869.103","","","","","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","Na Ca2 (Nb3 O10)","","- Ca2 Na Nb3 O10 -","- Ca2 Na Nb3 O10 -","- Ca8 Na4 Nb12 O40 -","4","0.25","","Byeon Song-Ho; Kim Hee Jin; Kim Dong-Kuk; Hur Nam Hwi","Synthesis, structure, magnetic properties and XANES spectra of reduced niobate Rb Nax Ca2 Nb3 O10","Chemistry of Materials (1,1989-)","2003","15","","383","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002552","5.479","","5.479","","28.8264","","90","","90","","90","","865.352","","","","","","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","Rb Na0.86 Ca2 (Nb3 O10)","","- Ca2 Na0.86 Nb3 O10 Rb -","- Ca2 Na0.86 Nb3 O10 Rb -","- Ca8 Na3.44 Nb12 O40 Rb4 -","4","0.25","","Byeon Song-Ho; Kim Hee Jin; Kim Dong-Kuk; Hur Nam Hwi","Synthesis, structure, magnetic properties and XANES spectra of reduced niobate Rb Nax Ca2 Nb3 O10","Chemistry of Materials (1,1989-)","2003","15","","383","389","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4036235","14.4318","0.0004","14.4318","0.0004","5.3189","0.0002","90","","90","","90","","1107.8","0.06","90","0.5","90","0.5","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C9 H4 B Cl3 F2 N2 -","- C9 H4 B Cl3 F2 N2 -","- C36 H16 B4 Cl12 F8 N8 -","4","0.25","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Stepwise Polychlorination of 8-Chloro-BODIPY and Regioselective Functionalization of 2,3,5,6,8-Pentachloro-BODIPY.","The Journal of organic chemistry","2015","80","16","8377","8383","10.1021/acs.joc.5b01147","","","0.71073","MoKα","","0.0323","0.0285","","","0.0741","0.0763","","","","","","1.13","","","","has coordinates","234427","2020-10-21","18:00:00",""
"4070805","34.927","0.006","34.927","0.006","16.073","0.004","90","","90","","90","","19607","7","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C54 H87 B30 Co3 N6 S6 -","- C54 H72 B30 Co3 N6 S6 -","- C432 H576 B240 Co24 N48 S48 -","8","0.5","","Zhang, Jia-Sheng; Liu, Shuang; Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Trinuclear Half-Sandwich Metal (Co and Ru) Complexes Containing Ancillaryortho-Carborane-1,2-dithiolato Ligands","Organometallics","2008","27","6","1112","","10.1021/om701031w","","","0.71073","MoKα","","0.1402","0.0748","","","0.2184","0.2483","","","","","","1.03","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4076250","11.7204","0.0009","11.7204","0.0009","31.957","0.004","90","","90","","90","","4389.9","0.7","110","2","110","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C36 H69 Mo3 N3 O12 -","- C36.008 H69.14 Mo3 N3.001 O12 -","- C144.032 H276.56 Mo12 N12.004 O48 -","4","0.25","","Adrian, Rafael A.; Yaklin, Marsha M.; Klausmeyer, Kevin K.","Synthesis and Characterization of Bi- and Trinuclear Molybdenum Carbonyl Compounds Obtained by Ligand Exchange Reactions of [Et4N]3[Mo3(CO)9(OMe)3]","Organometallics","2004","23","6","1352","","10.1021/om034260b","","","0.71073","MoKα","","0.0944","0.0622","","","0.1258","0.1356","","","","","","1.085","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4122426","21.438","0.004","21.438","0.004","23.126","0.004","90","","90","","90","","10628","3","173","2","173","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cl5 Na O80 Si2 Sn9 W18 -","- Cl5 Na O80 Si2 Sn9 W18 -","- Cl20 Na4 O320 Si8 Sn36 W72 -","4","0.25","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1141","0.0685","","","0.155","0.1948","","","","","","1.151","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4122427","21.416","0.003","21.416","0.003","23.133","0.003","90","","90","","90","","10610","3","173","2","173","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cl5 Ge2 Na O80 Sn9 W18 -","- Cl5 Ge2 Na O80 Sn9 W18 -","- Cl20 Ge8 Na4 O320 Sn36 W72 -","4","0.25","","Zhao, Chongchao; Glass, Elliot N.; Chica, Bryant; Musaev, Djamaladdin G.; Sumliner, Jordan M.; Dyer, R. Brian; Lian, Tianquan; Hill, Craig L.","All-Inorganic Networks and Tetramer Based on Tin(II)-Containing Polyoxometalates: Tuning Structural and Spectral Properties with Lone-Pairs.","Journal of the American Chemical Society","2014","136","34","12085","","10.1021/ja5060127","","","0.71073","MoKα","","0.1043","0.0666","","","0.1516","0.1747","","","","","","1.177","","","","has coordinates,has disorder","179026","2020-10-21","18:00:00",""
"4125134","34.882","0.006","34.882","","12.086","0.002","90","","90","","90","","14706","4","110","2","110","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C64 H24 F24 O32 Zr6 -","- C64 H24 F24 O32 Zr6 -","- C256 H96 F96 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.1149","0.0865","","","0.1904","0.201","","","","","","1.004","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4125138","35.053","0.017","35.053","","12.665","0.006","90","","90","","90","","15562","11","110","2","110","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C68 H50 O32 Zr6 -","- C68 H50 O32 Zr6 -","- C272 H200 O128 Zr24 -","4","0.25","","Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai","Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.","Journal of the American Chemical Society","2016","138","28","8912","8919","10.1021/jacs.6b04501","","","0.71073","MoKα","","0.144","0.0616","","","0.1114","0.1247","","","","","","1.003","","","","has coordinates,has disorder","187927","2020-10-21","18:00:00",""
"4129603","26.65","0.002","26.65","0.002","9.8528","0.0009","90","","90","","90","","6997.7","1","100","2","99.99","","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C54 H58 F24 Fe N8 P4 -","- C54 H58 F24 Fe N8 P4 -","- C216 H232 F96 Fe4 N32 P16 -","4","0.25","","Henkelis, James J.; Blackburn, Anthea K.; Dale, Edward J.; Vermeulen, Nicolaas A.; Nassar, Majed S.; Stoddart, J. Fraser","Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor.","Journal of the American Chemical Society","2015","137","41","13252","13255","10.1021/jacs.5b08656","","","1.54178","CuKα","","0.117","0.101","","","0.2405","0.248","","","","","","1.053","","","","has coordinates,has disorder","240295","2020-10-21","18:00:00",""
"4314925","8.1809","0.0006","8.1809","0.0006","28.121","0.004","90","","90","","90","","1882.1","0.3","120","2","120","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C19 H30 N3 Ti -","- C19 H30 N3 Ti -","- C76 H120 N12 Ti4 -","4","0.25","","Yamile A. Wasslen; Eva Tois; Suvi Haukka; Kevin A. Kreisel; Glenn P. A. Yap; Mathew D. Halls; Seán T. Barry","A Family of Heteroleptic Titanium Guanidinates: Synthesis, Thermolysis, and Surface Reactivity","Inorganic Chemistry","2010","49","","1976","1982","10.1021/ic902411h","","","0.71073","MoKα","","0.0792","0.0578","","","0.1901","0.2128","","","","","","1.055","","","","has coordinates,has disorder","179229","2020-10-21","18:00:00",""
"4322841","18.2911","0.0009","18.2911","","5.352","0.001","90","","90","","90","","1790.6","0.3","296.2","","296.2","","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C3.75 H3 Ag0.12 N0.25 Te -","- C3.25 H3 Ag0.034725 Te -","- C52 H48 Ag0.5556 Te16 -","16","1","","Emiko Arai; Hideki Fujiwara; Hayao Kobayashi; Akiko Kobayashi; Kazuo Takimiya; Tetsuo Otsubo; Fumio Ogura","Novel Stable Metallic Salts Based on a Donor Molecule Containing peri-Ditellurium Bridges, TMTTeN","Inorganic Chemistry","1998","37","","2850","2851","10.1021/ic9802247","","","0.7107","MoKα","","","0.0346","","","0.0338","","","","","4.335","4.335","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322842","18.322","0.001","18.322","","5.35","0.003","90","","90","","90","","1796","1","296.2","","296.2","","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C3.75 H3 Au0.12 N0.25 Te -","- C3.25 H3 Au0.03 Te -","- C52 H48 Au0.48 Te16 -","16","1","","Emiko Arai; Hideki Fujiwara; Hayao Kobayashi; Akiko Kobayashi; Kazuo Takimiya; Tetsuo Otsubo; Fumio Ogura","Novel Stable Metallic Salts Based on a Donor Molecule Containing peri-Ditellurium Bridges, TMTTeN","Inorganic Chemistry","1998","37","","2850","2851","10.1021/ic9802247","","","0.7107","MoKα","","","0.0423","","","0.0439","","","","","4.841","4.841","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339568","16.0978","0.0008","16.0978","0.0008","5.9217","0.0006","90","","90","","90","","1534.54","0.19","293","","293","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C16 H8 In2 O9 -","- C16 H8 In2 O9 -","- C64 H32 In8 O36 -","4","0.25","","Vougo-Zanda, Marie; Wang, Xiqu; Jacobson, Allan J.","Influence of ligand geometry on the formation of In-O chains in metal-oxide organic frameworks (MOOFs).","Inorganic chemistry","2007","46","21","8819","8824","10.1021/ic701126t","","","0.71073","MoKα","","0.0185","0.0159","","","0.0426","0.0437","","","","","","1.041","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4342617","7.302","0.002","7.302","0.002","21.763","0.009","90","","90","","90","","1160.4","0.7","350","2","350","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C4 H16 Cl4 Fe N2 -","- C4 H16 Cl4 Fe N2 -","- C16 H64 Cl16 Fe4 N8 -","4","0.25","","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","","0.0867","0.0652","","","0.213","0.2424","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501865","18.2747","0.0005","18.2747","0.0005","4.6038","0.0003","90","","90","","90","","1537.51","0.12","293","2","293","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C8 H4 O4 Sn -","- C8 H4 O4 Sn -","- C64 H32 O32 Sn8 -","8","0.5","","Wang, Xiqu; Liu, Lumei; Makarenko, Tatyana; Jacobson, Allan J.","Influence of Ligand Geometry on the Dimensionality of Sn(II) Benzenedicarboxylate Crystal Structures","Crystal Growth & Design","2010","10","8","3752","","10.1021/cg1005874","","","0.71073","MoKα","","0.0246","0.0194","","","0.0523","0.0543","","","","","","1.076","","","","has coordinates,has disorder","179549","2020-10-21","18:00:00",""
"4503156","28.4132","0.0007","28.4132","0.0007","14.0586","0.0007","90","","90","","90","","11349.6","0.7","293","2","293","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C68 H64 Cu19 I20 N30 -","- C68 H64 Cu19 I23 N30 -","- C272 H256 Cu76 I92 N120 -","4","0.25","","Wu, Tao; Li, Mian; Li, Dan; Huang, Xiao-Chun","Anionic CunInCluster-Based Architectures Induced by In Situ GeneratedN-Alkylated Cationic Triazolium Salts","Crystal Growth & Design","2008","8","2","568","","10.1021/cg070639f","","","0.71073","MoKα","","0.0704","0.0559","","","0.1596","0.1698","","","","","","1.097","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4504069","9.737","0.003","9.737","0.003","14.161","0.005","90","","90","","90","","1342.6","0.8","173","2","173","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","1,3-di-iso-propylimidazolium hexafluorophosphate","","","- C9 H17 F6 N2 P -","- C9 H17 F6 N2 P -","- C36 H68 F24 N8 P4 -","4","0.25","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.034","0.0284","","","0.0844","0.0874","","","","","","1.115","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4505096","12.1263","0.0016","12.1263","0.0016","17.632","0.005","90","","90","","90","","2592.7","0.9","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","{[cu2(l)4(h2o)4].cl4.(h2o)5.(aceton)}n","","","- C31 H56 Cl4 Cu2 N16 O10 -","- C31 H34.04 Cl4 Cu2 N16 O10 -","- C62 H68.08 Cl8 Cu4 N32 O20 -","2","0.125","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.1089","0.0586","","","0.1625","0.191","","","","","","1.052","","","","has coordinates,has disorder","179585","2020-10-21","18:00:00",""
"4505103","12.1263","0.0016","12.1263","0.0016","17.632","0.005","90","","90","","90","","2592.7","0.9","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C17 H27 Cl2 Cu N8 O3.5 -","- C17 H20 Cl2 Cu N8 O3.5 -","- C68 H80 Cl8 Cu4 N32 O14 -","4","0.25","","Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.","Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands","Crystal Growth & Design","2005","5","5","1775","","10.1021/cg050039l","","","0.71073","MoKα","","0.1111","0.0597","","","0.1448","0.1727","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511294","21.788","0.0002","21.788","0.0002","23.621","0.0002","90","","90","","90","","11213.3","0.17","293","2","293","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C68 H64 Cd3 N4 O30 -","- C60 H24 Cd3 O30 -","- C240 H96 Cd12 O120 -","4","0.25","","He, Yuan-Chun; Zhang, Hong-Mei; Liu, Ying-Ying; Zhai, Qiu-Yi; Shen, Qiu-Tong; Song, Shu-Yan; Ma, Jian-Fang","Luminescent Anionic Metal‒Organic Framework with Potential Nitrobenzene Sensing","Crystal Growth & Design","2014","14","7","3174","","10.1021/cg5004353","","","0.71069","MoKα","","0.0853","0.0618","","","0.1693","0.1853","","","","","","1.074","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4514212","34.3258","0.0008","34.3258","0.0008","14.7063","0.0007","90","","90","","90","","17327.9","1","110","2","110","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C70 H52 O32 Zr6 -","- C70 H52 O32 Zr6 -","- C280 H208 O128 Zr24 -","4","0.25","","Qin, Jun-Sheng; Yuan, Shuai; Alsalme, Ali; Zhou, Hong-Cai","Flexible Zirconium MOF as the Crystalline Sponge for Coordinative Alignment of Dicarboxylates.","ACS applied materials & interfaces","2017","9","39","33408","33412","10.1021/acsami.6b16264","","","1.54178","CuKα","","0.1091","0.0825","","","0.1911","0.2011","","","","","","1.066","","","","has coordinates","202640","2020-10-21","18:00:00",""
"7003344","18.8011","0.0011","18.8011","0.0011","25.787","0.003","90","","90","","90","","9115.2","1.3","173","2","173","2","","","","","","","","7","P 42/n c m :2","-P 4ac 2ac","138","","","","- C78 H120 B2 F8 N6 Ni3 O8 -","- C78 H122 B2 F8 N6 Ni3 O8 -","- C312 H488 B8 F32 N24 Ni12 O32 -","4","0.25","","Singh, Anupam; Anandhi, U.; Cinellu, Maria Agostina; Sharp, Paul R.","Diimine supported group 10 hydroxo, oxo, amido, and imido complexes","Dalton Transactions","2008","","17","2314","2327","10.1039/b715663d","","","0.71073","MoKα","","0.1072","0.0759","","","0.2174","0.2381","","","","","","1.101","","","","has coordinates,has disorder","179737","2020-10-21","18:00:00",""
"7004700","5.6325","0.001","5.6325","0.001","16.2474","0.001","90","","90","","90","","515.45","0.13","363","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","Dilead hexafluorozincate","Dilead hexafluorozincate","","- F24 Pb8 Zn4 -","- F6 Pb2 Zn -","- F24 Pb8 Zn4 -","4","0.25","","Martineau, Charlotte; Fayon, Franck; Legein, Christophe; Buzaré, Jean-Yves; Body, Monique; Massiot, Dominique; Goutenoire, François","Structure determination of β-Pb2ZnF6 by coupling multinuclear solid state NMR, powder XRD and ab initio calculations","Dalton Transactions","2008","","44","6150","6158","10.1039/b810863c","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004701","5.6325","0.001","5.6325","0.001","16.2474","0.001","90","","90","","90","","515.45","0.13","363","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","Dilead hexafluorozincate","Dilead hexafluorozincate","","- F24 Pb8 Zn4 -","- F6 Pb2 Zn -","- F24 Pb8 Zn4 -","4","0.25","","Martineau, Charlotte; Fayon, Franck; Legein, Christophe; Buzaré, Jean-Yves; Body, Monique; Massiot, Dominique; Goutenoire, François","Structure determination of β-Pb2ZnF6 by coupling multinuclear solid state NMR, powder XRD and ab initio calculations","Dalton Transactions","2008","","44","6150","6158","10.1039/b810863c","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7007485","20.9299","0.0004","20.9299","0.0004","10.3603","0.0004","90","","90","","90","","4538.4","0.2","297","2","297","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cs5 O44 Ru Si W11 -","- Cs4.98 O44 Ru0.96 Si W11.04 -","- Cs19.92 O176 Ru3.84 Si4 W44.16 -","4","0.25","","Sadakane, Masahiro; Tsukuma, Daisuke; Dickman, Michael H.; Bassil, Bassem; Kortz, Ulrich; Higashijima, Michio; Ueda, Wataru","Structural characterization of mono-ruthenium substituted Keggin-type silicotungstates.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4271","4276","10.1039/b606266k","","","0.71073","MoKα","","0.0855","0.0592","","","0.1652","0.1845","","","","","","1.003","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7010538","22.057","0.003","22.057","0.003","14.125","0.003","90","","90","","90","","6872","2","293","2","293","2","","","","","","","","9","P 42/n c m :2","-P 4ac 2ac","138","","","","- C16 H68 Co2 Mo8 N12 Na O52 P V8 -","- C16 H52 Co2 Mo8 N12 Na O52 P V8 -","- C64 H208 Co8 Mo32 N48 Na4 O208 P4 V32 -","4","0.25","","Xu, Yan; Zhu, Dun-Ru; Guo, Zi-Jian; Shi, Yu-Jun; Zhang, Kou-Lin; You, Xiao-Zeng","Cation-induced assembly of the first mixed molybdenum‒vanadium hexadecametal host shell cluster anions","Journal of the Chemical Society, Dalton Transactions","2001","","6","772","","10.1039/b010227j","","","0.71073","MoKα","","0.2104","0.0784","","","0.1817","0.2437","","","","","","1.073","","","","has coordinates,has disorder","179809","2020-10-21","18:00:00",""
"7018529","14.537","0.002","14.537","0.002","20.195","0.003","90","","90","","90","","4267.7","1","173","2","173","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C56 H40 B6 Cu4 F24 N24 -","- C56 H40 B6 Cu4 F24 N24 -","- C112 H80 B12 Cu8 F48 N48 -","2","0.125","","van Albada, Gerard A.; Mutikainen, Ilpo; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan","Copper perchlorate and tetrafluoridoborate compounds with the ligand 1,4,5-triazanaphthalene. Gradual transformation of mononuclear Cu(ii) compounds via polynuclear mixed-valence Cu(ii)/Cu(i) species to dinuclear Cu(i); syntheses, characterizations and X-ray structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4566","4574","10.1039/c2dt12085b","","","0.71073","MoKα","","0.0878","0.0771","","","0.2316","0.2427","","","","","","1.25","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018530","14.639","0.002","14.639","0.002","20.056","0.004","90","","90","","90","","4298","1.2","173","2","173","2","","","","","","","","7","P 42/n c m :2","-P 4ac 2ac","138","","","","- C29 H27.5 B3 Cu2 F12 N12 O6 -","- C29 H24 B3 Cu2 F12 N12 O6 -","- C116 H96 B12 Cu8 F48 N48 O24 -","4","0.25","","van Albada, Gerard A.; Mutikainen, Ilpo; Ghazzali, Mohamed; Al-Farhan, Khalid; Reedijk, Jan","Copper perchlorate and tetrafluoridoborate compounds with the ligand 1,4,5-triazanaphthalene. Gradual transformation of mononuclear Cu(ii) compounds via polynuclear mixed-valence Cu(ii)/Cu(i) species to dinuclear Cu(i); syntheses, characterizations and X-ray structures.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4566","4574","10.1039/c2dt12085b","","","0.71073","MoKα","","0.1121","0.0753","","","0.1542","0.1647","","","","","","2.477","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030028","12.27","0.004","12.27","0.004","12.723","0.004","90","","90","","90","","1915.5","1.1","173","2","173","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- F4 H4 N V -","- F4 H4 N V -","- F80 H80 N20 V20 -","20","1.25","","Aidoudi, Farida H.; Downie, Lewis J.; Morris, Russell E.; A de Vries, Mark; Lightfoot, Philip","A hybrid vanadium fluoride with structurally isolated S = 1 kagome layers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6304","6307","10.1039/c4dt00452c","","","1.54184","CuKα","","0.0195","0.0194","","","0.0508","0.0509","","","","","","1.195","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7051528","26.2548","0.0008","26.2548","0.0008","12.7555","0.0005","90","","90","","90","","8792.6","0.5","120","2","120","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C48 H48 Cl N32 O24 -","- C48 H48 Cl N32 O24.02 -","- C192 H192 Cl4 N128 O96.08 -","4","0.25","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Judith A. K. Howard; Yuri A. Strelenko; Vladimir P. Fedin; Michael V. Alfimov; Sergey P. Gromov","Photoinduced and dark complexation of unsaturated viologen analogues containing two ammonium tails with cucurbit[8]uril","New Journal of Chemistry","2006","30","3","458","","10.1039/b511456j","","","0.71073","MoKα","","0.2546","0.1903","","","0.4958","0.5266","","","","","","1.941","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7100122","35.258","0.006","35.258","0.006","16.15","0.004","90","","90","","90","","20076","6","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C54 H87 B30 Ir3 N6 S6 -","- C54 H87 B30 Ir3 N6 S6 -","- C432 H696 B240 Ir24 N48 S48 -","8","0.5","","Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang","Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands","Chemical Communications","2005","","","","","10.1039/b505041c","","","","","","","","","","","","","","","","","","","","","has coordinates","180103","2020-10-21","18:00:00",""
"7100585","39.1557","0.0012","39.1557","0.0012","33.086","0.002","90","","90","","90","","50726","4","173","2","173","2","","","","","","","","8","P 42/n c m :2","-P 4ac 2ac","138","","","","- Fe7 H446 K23 Mo80 Na4 O546 S12 V15 -","- Fe6.99 K21 Mo80.01 O498.6 S12 V15 -","- Fe27.96 K84 Mo320.04 O1994.4 S48 V60 -","4","0.25","","Paul Kogerler; Bogdan Botar; Ricardo Garcia-Serres; Craig Hill; Achim Muller","Ferrimagnetically ordered nanosized polyoxomolybdate-based cluster spheres","Chemical Communications","2005","","","","","10.1039/b512244a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7100586","39.1698","0.0014","39.1698","0.0014","33.1093","0.0017","90","","90","","90","","50799","4","173","2","173","2","","","","","","","","8","P 42/n c m :2","-P 4ac 2ac","138","","","","- Fe11 H454 K21 Mo80 Na2 O546 S12 V11 -","- Fe11.01 K21 Mo79.98 O495.2 S12 V11.01 -","- Fe44.04 K84 Mo319.92 O1980.8 S48 V44.04 -","4","0.25","","Paul Kogerler; Bogdan Botar; Ricardo Garcia-Serres; Craig Hill; Achim Muller","Ferrimagnetically ordered nanosized polyoxomolybdate-based cluster spheres","Chemical Communications","2005","","","","","10.1039/b512244a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102861","21.6769","0.0002","21.6769","0.0002","18.8529","0.0003","90","","90","","90","","8858.75","0.18","293","2","293","2","","","","","","","","7","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H50 Cu9 Ge2 N8 O72 W18 -","- C12 H36 Cu9 Ge2 N8 O72 W18 -","- C48 H144 Cu36 Ge8 N32 O288 W72 -","4","0.25","","Zhao, Jun-Wei; Zhang, Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Combination between lacunary polyoxometalates and high-nuclear transition metal clusters under hydrothermal conditions: first (3,6)-connected framework constructed from sandwich-type polyoxometalate building blocks containing a novel (Cu8) cluster.","Chemical communications (Cambridge, England)","2008","","5","570","572","10.1039/b713510f","","","0.71073","MoKα","","0.0511","0.0308","","","0.0596","0.0681","","","","","","1.121","","","","has coordinates","180130","2020-10-21","18:00:00",""
"7102862","21.3874","0.0013","21.3874","0.0013","18.634","0.002","90","","90","","90","","8523.4","1.2","293","2","293","2","","","","","","","","7","P 42/n c m :2","-P 4ac 2ac","138","","","","- C8 H42 Cu9 N8 O72 Si2 W18 -","- C8 H32 Cu9 N8 O72 Si2 W18 -","- C32 H128 Cu36 N32 O288 Si8 W72 -","4","0.25","","Zhao, Jun-Wei; Zhang, Jie; Zheng, Shou-Tian; Yang, Guo-Yu","Combination between lacunary polyoxometalates and high-nuclear transition metal clusters under hydrothermal conditions: first (3,6)-connected framework constructed from sandwich-type polyoxometalate building blocks containing a novel (Cu8) cluster.","Chemical communications (Cambridge, England)","2008","","5","570","572","10.1039/b713510f","","","0.71073","MoKα","","0.0834","0.0747","","","0.187","0.1966","","","","","","1.077","","","","has coordinates","180130","2020-10-21","18:00:00",""
"7107821","16.8515","0.0013","16.8515","0.0013","28.919","0.003","90","","90","","90","","8212.2","1.2","193","2","193","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","Cesium gallium-octadecaniobate","","","- Cs13 Ga H24 Na2 Nb18 O66 -","- Cs13 Ga Na2 Nb18 O66 -","- Cs52 Ga4 Na8 Nb72 O264 -","4","0.25","","Yu Hou; Todd Alam; Mark A. Rodriguez; May Nyman","Aqueous compatibility of group IIIA monomers and Nb-polyoxoanions","Chem.Commun.","2012","48","","6004","","10.1039/c2cc31284k","","","0.71073","MoKα","","0.0594","0.0531","","","0.1553","0.1624","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110596","21.0827","0.0004","21.0827","0.0004","10.4262","0.0003","90","","90","","90","","4634.24","0.18","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- Cs6 H9 Nb3 O44 Si W9 -","- Cs6 Nb2.984 O44 Si W9.016 -","- Cs24 Nb11.936 O176 Si4 W36.064 -","4","0.25","","Kim, Gyu-Shik; Zeng, Huadong; Rhule, Jeffrey T.; Weinstock, Ira A.; Hill, Craig L.","Synthesis, X-ray structure, and hydrolytic chemistry of the highly potent antiviral polyniobotungstate A-α-[Si2Nb6W18O77]8‒","Chemical Communications","1999","","17","1651","","10.1039/a903983j","","","0.71073","MoKα","","0.0543","0.0363","","0.0991","0.0906","","","","1.037","1.105","1.105","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114190","38.8088","0.0007","38.8088","0.0007","32.9877","0.0012","90","","90","","90","","49684","2","188","2","188","2","","","","","","","","7","P 42/n c m :2","-P 4ac 2ac","138","","","","- H412 K22 Mo80 Na6 O536 S12 V22 -","- K19.7 Mo79.544 O521.04 S12.04 V22.456 -","- K78.8 Mo318.176 O2084.16 S48.16 V89.824 -","4","0.25","","Müller, Achim; Botar, Bogdan; Bögge, Hartmut; Kögerler, Paul; Berkle, Alois","A potassium selective 'nanosponge' with well defined pores","Chemical Communications","2002","","24","2944","2945","10.1039/b210523n","","","0.71073","MoKalpha","","0.0969","0.0603","","0.2028","0.1505","","","","1.143","1.124","1.124","","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7115628","26.081","0.004","26.081","0.004","19.313","0.004","90","","90","","90","","13137","4","180","2","180","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","[Cu12S6(dppt)4]*2C6H5CH3","","","- C130 H136 Cu12 P8 S6 -","- C130 H136 Cu12 P8 S6 -","- C520 H544 Cu48 P32 S24 -","4","0.25","","Xiao-Xun Yang; Ibrahim Issac; Sergej Lebedkin; Michael Kuhn; Florian Weigend; Dieter Fensk; Olaf Fuhrac; Andreas Eichhofer","Red-luminescent biphosphine stabilized 'Cu12S6' cluster molecules","Chem.Commun.","2014","50","","11043","","10.1039/C4cc04702H","","","0.71073","MoKα","","0.0501","0.0326","","","0.0803","0.0859","","","","","","1.036","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7125688","17.2294","0.0001","17.2294","0.0001","14.773","0.0002","90","","90","","90","","4385.4","0.07","100","2","100","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H6 N2 Ni O5 Se3 -","- C12 H6 N2 Ni O5 Se3 -","- C96 H48 N16 Ni8 O40 Se24 -","8","0.5","","He, Shichao; Allemond, Laynee L.; Dunning, Samuel G.; Reynolds, Joseph E.; Lynch, Vincent M.; Humphrey, Simon M.","In situ formation and solid-state oxidation of a triselenane NSeN-pincer MOF.","Chemical communications (Cambridge, England)","2020","56","8","1286","1289","10.1039/c9cc07851g","","","1.54184","CuKα","","0.0632","0.058","","","0.1583","0.1638","","","","","","1.041","","","","has coordinates,has disorder","247581","2020-10-21","18:00:00",""
"7205525","14.0455","0.0001","14.0455","0.0001","14.6075","0.0002","90","","90","","90","","2881.71","0.05","273","2","273","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H14 Cu3 N6 O9 -","- C12 H14 Cu3 N6 O9 -","- C48 H56 Cu12 N24 O36 -","4","0.25","","Ling, Yun; Zhang, Lei; Li, Jing; Du, Miao","A robust porous PtS-type Cu(ii) metal‒organic framework: single-crystal-to-single-crystal transformation with reversible guest intercalation accompanied by colour change","CrystEngComm","2011","13","3","768","","10.1039/c0ce00775g","","","0.71073","MoKα","","0.085","0.0469","","","0.1318","0.1406","","","","","","0.95","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7209004","21.4901","0.0011","21.4901","0.0011","42.883","0.004","90","","90","","90","","19804","2","143","2","143","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","12C4","","","- C70 H48 O21 Zn4 -","- C70 H48 O21 Zn4 -","- C280 H192 O84 Zn16 -","4","0.25","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.1245","0.0767","","","0.2138","0.2301","","","","","","0.945","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7210971","11.061","0.002","11.061","0.002","17.145","0.003","90","","90","","90","","2097.6","0.6","293","2","293","2","","","","","","","","8","P 42/n c m :2","-P 4ac 2ac","138","","","","- C4 H4 Cl2 Cu K2 Li O19 Ru2 -","- C4 H4 Cl2 Cu K2 Li O19 Ru2 -","- C16 H16 Cl8 Cu4 K8 Li4 O76 Ru8 -","4","0.25","","Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui","Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)","CrystEngComm","2013","15","39","7936","","10.1039/c3ce41029c","","","0.71073","MoKα","","0.0633","0.0537","","","0.1501","0.1589","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7214224","22.0703","0.0008","22.0703","0.0008","12.6143","0.0009","90","","90","","90","","6144.4","0.5","293","2","293","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- Ba18 F18 In8 S21 -","- Ba18 F18 In8 S21 -","- Ba72 F72 In32 S84 -","4","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba18F18In8S21 and Ba9F10In4S10: new kind of mixed anion compounds with the novel low-dimensional structure","CrystEngComm","2014","16","13","2788","","10.1039/c3ce41954a","","","0.71073","MoKα","","0.0474","0.0443","","","0.1426","0.1454","","","","","","1.166","","","","has coordinates","180473","2020-10-21","18:00:00",""
"7221014","5.473","","5.473","","26.331","","90","","90","","90","","788.712","","","","","","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","Li2 La1.72 ((Nb0.66 Ti2.34) O10)","","- La1.72 Li2 Nb0.66 O10 Ti2.34 -","- La1.72 Li2 Nb0.66 O10 Ti2.34 -","- La6.88 Li8 Nb2.64 O40 Ti9.36 -","4","0.25","","Bhuvanesh, N.S.P.; Fourquet, J.L.; Duroy, H.; Crosnier-Lopez, M.P.","Synthesis and structure of novel layered perovskite oxides: Li2 La1.78 Nb0.66 Ti2.34 O10, and a new family, Li2 (A0.5n Bn O3n+1)","Journal of Materials Chemistry","1999","9","","3093","3100","","","","","","","","","","","","","","","","","","","","","","has coordinates","140415","2020-10-21","18:00:00",""
"7235664","13.28","0.002","13.28","0.002","13.533","0.003","90","","90","","90","","2386.7","0.7","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C8 H3 Br N8 O Zn -","- C8 H3 Br N8 O Zn -","- C64 H24 Br8 N64 O8 Zn8 -","8","0.5","","He, Hongming; Sun, Fuxing; Zhao, Nian; Yuan, Rongrong; Zhu, Guangshan","Three novel zinc(ii) metal‒organic frameworks based on three tetrazolate ligands: synthesis, structures and photoluminescence","RSC Adv.","2014","4","41","21535","","10.1039/C4RA02872D","","","0.71073","MoKα","","0.0496","0.0331","","","0.0871","0.0954","","","","","","1.079","","","","has coordinates","233210","2020-10-21","18:00:00",""
"7237375","7.8392","0.0001","7.8392","0.0001","15.7523","0.0003","90","","90","","90","","968.03","0.03","130","2","130","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0398","0.0353","","","0.111","0.1165","","","","","","1.147","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237376","7.8468","0.0001","7.8468","0.0001","15.7718","0.0004","90","","90","","90","","971.11","0.03","160","2","160","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0441","0.0388","","","0.111","0.1199","","","","","","1.138","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237377","7.9148","0.0001","7.9148","0.0001","15.873","0.009","90","","90","","90","","994.3","0.6","296","2","296","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0729","0.0435","","","0.0758","0.0892","","","","","","1.157","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237378","7.6292","0.0001","7.6292","0.0001","15.259","0.006","90","","90","","90","","888.1","0.3","296","2","296","2","","","2010000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0606","0.0499","","","0.1112","0.1191","","","","","","1.15","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237379","7.7706","0.0003","7.7706","0.0003","15.666","0.012","90","","90","","90","","945.9","0.7","296","2","296","2","","","580000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.064","0.0474","","","0.0773","0.0865","","","","","","1.119","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237380","7.6937","0.0002","7.6937","0.0002","15.371","0.009","90","","90","","90","","909.9","0.5","296","2","296","2","","","1230000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0526","0.041","","","0.0768","0.083","","","","","","1.11","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237381","7.2305","0.0004","7.2305","0.0004","14.5","0.03","90","","90","","90","","758.1","1.6","296","2","296","2","","","9685000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1045","0.0767","","","0.1669","0.194","","","","","","1.226","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237382","7.319","0.0002","7.319","0.0002","14.595","0.013","90","","90","","90","","781.8","0.7","296","2","296","2","","","7850000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0691","0.0577","","","0.1382","0.1451","","","","","","1.139","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237383","7.1959","0.0005","7.1959","0.0005","14.39","0.03","90","","90","","90","","745.1","1.6","296","2","296","2","","","10665000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1003","0.0698","","","0.1664","0.1853","","","","","","1.187","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237384","7.8818","0.0001","7.8818","0.0001","15.8455","0.0004","90","","90","","90","","984.37","0.03","275","2","275","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0449","0.0361","","","0.0975","0.108","","","","","","1.075","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237385","7.8914","0.0001","7.8914","0.0001","15.8623","0.0003","90","","90","","90","","987.81","0.03","296","2","296","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0478","0.0333","","","0.0895","0.1002","","","","","","1.061","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237386","7.856","0.0001","7.856","0.0001","15.7916","0.0004","90","","90","","90","","974.61","0.03","190","2","190","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0428","0.0375","","","0.1086","0.1159","","","","","","1.132","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237387","7.865","0.0001","7.865","0.0001","15.8105","0.0004","90","","90","","90","","978.01","0.03","220","2","220","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0431","0.0367","","","0.1047","0.1126","","","","","","1.143","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237388","7.1293","0.0006","7.1293","0.0006","14.38","0.03","90","","90","","90","","730.9","1.5","296","2","296","2","","","11980000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1273","0.0865","","","0.1933","0.217","","","","","","1.177","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237389","7.4964","0.0002","7.4964","0.0002","15.034","0.008","90","","90","","90","","844.9","0.5","296","2","296","2","","","4035000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0619","0.0512","","","0.1145","0.1204","","","","","","1.247","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237390","7.5655","0.0001","7.5655","0.0001","15.147","0.006","90","","90","","90","","867","0.3","296","2","296","2","","","2770000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0605","0.0485","","","0.1097","0.1176","","","","","","1.231","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237391","7.1172","0.0007","7.1172","0.0007","14.3","0.03","90","","90","","90","","724.4","1.5","296","2","296","2","","","12675000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1457","0.0822","","","0.2267","0.3053","","","","","","1.037","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237392","7.2677","0.0003","7.2677","0.0003","14.46","0.02","90","","90","","90","","763.8","1.1","296","2","296","2","","","9230000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0924","0.0726","","","0.1855","0.1986","","","","","","1.235","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237393","7.387","0.0001","7.387","0.0001","14.791","0.008","90","","90","","90","","807.1","0.4","296","2","296","2","","","6165000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0663","0.0543","","","0.1311","0.1376","","","","","","1.269","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237394","7.8745","0.0001","7.8745","0.0001","15.8305","0.0004","90","","90","","90","","981.61","0.03","250","2","250","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0447","0.037","","","0.1026","0.1117","","","","","","1.11","","","","has coordinates","237638","2020-10-21","18:00:00",""
"8103787","13.3624","","13.3624","","9.4308","","90","","90","","90","","1683.91","","","","","","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","Sr8 (Al12 O24) (Cr O4)2","","- Al12 Cr2 O32 Sr8 -","- Al12 Cr2 O32.08 Sr8 -","- Al24 Cr4 O64.16 Sr16 -","2","0.125","","Toebbens, D.M.; Depmeier, W.","The intermediate phase of strontium chromate aluminate sodalite","Zeitschrift fuer Kristallographie (149,1979-)","2001","216","","611","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","157944","2020-10-21","18:00:00",""
"9008986","4.35","","4.35","","13.73","","90","","90","","90","","259.806","","","","","","","","","","","","","2","P 42/n c m :2","-P 4ac 2ac","138","","","","- Au I -","- Au I -","- Au4 I4 -","4","0.25","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""