# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T05:56:56+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemistry of Materials') 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
"1000355","5.935","0.006","10.282","0.002","13.368","0.013","90","","106.78","0.07","90","","781","","","","","","","","","","","","","4","P 1 c 1","P -2yc","7","","Copper(I) chromium hexathio-duo-diphosphate(IV)","","- Cr Cu P2 S6 -","- Cr Cu P2 S6 -","- Cr4 Cu4 P8 S24 -","4","2","","Maisonneuve, V; Cajipe, V B; Payen, C","Low-temperature neutron powder diffraction study of CuCrP~2~S~6~: observation of an ordered, antipolar copper sublattice","Chemistry of Materials (1,1989-","1993","5","","758","760","10.1021/cm00030a006","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000369","3.8289","0.0001","3.8289","0.0001","41.75699","0.001","90","","90","","90","","612.2","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Mercury dithallium(III) tribarium strontium dicopper oxide","","- Ba3 Cu2 Hg O10 Sr Tl2 -","- Ba3 Cu2 Hg O10 Sr Tl2 -","- Ba6 Cu4 Hg2 O20 Sr2 Tl4 -","2","0.0625","","Goutenoire, F; Hervieu, M; Martin, C; Maignan, A; Michel, C; Letouze, F; Raveau, B","Cationic substitutions in the ""2201-1201"" intergrowth Hg Tl2 Ba4 Cu2 O10","Chemistry of Materials (1,1989-","1994","6","","1654","1658","10.1021/cm00046a017","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001666","3.7966","0.0003","3.7966","0.0003","12.092","0.001","90","","90","","90","","174.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium strontium calcium copper oxide (1.2/2/0.8/2/7)","","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","1","0.0625","","Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B","Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d","Chemistry of Materials (1,1989-","1995","7","","1414","1418","10.1021/cm00055a021","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001667","3.7808","0.0005","3.7808","0.0005","12.0855","0.0012","90","","90","","90","","172.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium strontium calcium copper oxide (1.2/2/0.8/2/7)","","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","1","0.0625","","Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B","Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d","Chemistry of Materials (1,1989-","1995","7","","1414","1418","10.1021/cm00055a021","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001701","10.748","0.0003","10.748","0.0003","3.8976","0.0002","90","","90","","90","","450.2","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (4.4/3.6/6/2/20)","","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001702","10.787","0.0003","10.787","0.0003","3.8915","0.0001","90","","90","","90","","452.8","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (5.2/2.8/6.8/1.2/20)","","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001703","10.8088","0.0005","10.8088","0.0005","3.8992","0.0002","90","","90","","90","","455.5","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (6.4/1.6/6.8/1.2/20)","","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001719","4.95","","25.18999","","11.66","","90","","97.76","","90","","1440.6","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Thallium strontium cobalt oxide (0.41/1/1/3.11)","","- Co O3.111 Sr0.9999 Tl0.41 -","- Co O3.11111 Sr Tl0.41 -","- Co18 O56 Sr18 Tl7.38 -","18","4.5","","Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B","Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2","Chemistry of Materials (1,1989-","1996","8","","1482","1489","10.1021/cm9601446","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001725","3.778","0.001","15.244","0.001","17.67699","0.001","90","","90","","90","","1018.1","","","","","","","","","","","","","5","A m m 2","A 2 -2","38","","Thallium chromate strontium coppper oxide (3/1/8/4/16)","","- Cr Cu4 O20 Sr8 Tl3 -","- Cr Cu4 O20 Sr8 Tl3 -","- Cr2 Cu8 O40 Sr16 Tl6 -","2","0.25","","Martin, C; Letouze, F; Maignan, A; Seshadri, R; Michel, C; Hervieu, M; Raveau, B","The superconducting copper oxychromate Tl3 (Cr O4) Sr8 Cu4 O16 : long- range ordering between thallium and chromium","Chemistry of Materials (1,1989-","1996","8","","865","873","10.1021/cm950473i","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001789","3.832","0.0001","3.832","0.0001","16.41119","0.0005","90","","90","","90","","241","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Thallium chromium strontium copper carbonate nitrate oxide (0.85/0.15/4/2/0.5/0.5/7)","","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","- C0.5 Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 -","1","0.0625","","Barnabe, A; Letouze, F; Pelloquin, D; Maignan, A; Hervieu, M; Raveau, B","A new superconducting oxycarbonitrate: (Tl5/6 Cr1/6) Sr4 Cu2 (C O3)1/2 (N O3)1/2 O7","Chemistry of Materials (1,1989-","1997","9","","2205","2211","10.1021/cm970370v","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001790","3.88416","0.00003","3.88416","0.00003","12.543","0.0002","90","","90","","90","","189.2","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium barium calcium praseodymium copper oxide (1/2/0.42/0.58/2/7)","","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","- Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001791","3.85262","0.00004","3.85262","0.00004","12.2813","0.0002","90","","90","","90","","182.3","","","","","","","","","","","","","7","P 4/m m m","-P 4 2","123","","Thallium barium strontium calcium praseodymium copper oxide (0.96/1/1/0.43/0.57/2/6.98)","","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","- Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001792","3.8262","0.00008","3.8262","0.00008","12.1262","0.0003","90","","90","","90","","177.5","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Thallium strontium calcium praseodymium copper oxide (0.94/2/0.48/0.52/2/6.96)","","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","- Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 -","1","0.0625","","Sundaresan, A; Michel, C; Raveau, B; Huong, P V","Charge-transfer-induced insulator-superconductor transition in Tl Ba2-x Srx Ca0.4 Pr0.6 Cu2 O7-d : a joint neutron/X ray Rietveld refinement, infrared absorption, and Raman scattering studies","Chemistry of Materials (1,1989-","1997","9","","2212","2217","10.1021/cm970377c","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001863","16.952","0.002","16.952","0.002","11.833","0.001","90","","90","","120","","2944.9","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","Dipotassium heptacaesium tecto-nonamolybdo(V)trialumoundecaphosphate(V)","","- Al3 Cs7 K2 Mo9 O59 P11 -","- Al3 Cs7.002 K1.998 Mo9 O59 P11 -","- Al6 Cs14.004 K3.996 Mo18 O118 P22 -","2","0.166667","","Guesdon, A; Leclaire, A; Borel, M M; Raveau, B","Significant structural disorganization in alkaline molybdenum(V) aluminophosphates","Chemistry of Materials (1,1989-","1995","7","","1873","1878","10.1021/cm00058a018","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004029","18.035","0.018","10.513","0.011","14.293","0.011","90","","90","","90","","2710","4.4","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C5 H16 Ga6 N2 O27 P6 -","- C5 H16 Ga6 N2 O27 P6 -","- C20 H64 Ga24 N8 O108 P24 -","4","","","Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.","Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3","Chemistry of Materials","2001","13","4","1305","1311","10.1021/cm001199h","","","1.54178","CuKα","","0.0366","0.0364","","0.1045","0.1041","","","","1.094","1.095","1.095","","","","","has coordinates","178246","2020-10-21","18:00:00",""
"1005011","2.8674","0.0002","2.8674","0.0002","15.801","0.002","90","","90","","120","","112.5","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Lithium molybdenum(V) dinitride","","- Li Mo N2 -","- Li Mo N2 -","- Li3 Mo3 N6 -","3","0.333333","","Elder, S H; Doerrer, L H; DiSalvo, F J; Parise, J B; Guyomard, D; Tarascon, J M","LiMoN~2~: the first metallic layered nitride","Chemistry of Materials (1,1989-","1992","4","4","928","937","10.1021/cm00022a033","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1006049","5.3671","0.0001","33.9719","0.0006","24.0722","0.0004","90","","90","","90","","4389.1","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium copper oxide (4/7.9/5/19.1)","","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi4 Cu5 O19.06 Sr7.86 -","- Bi32 Cu40 O152.48 Sr62.88 -","8","0.25","","Caldes, M T; Navarro, J M; Perez, F; Carrera, M; Fontcuberta, J; Casan-Pastor, N; Miravitlles, C; Obradors, X; Rodriguez-Carjaval, J; Gonzalez-Calbet, J M; Vallet-Regi, M; Garcia, A; Fuertes, A","Electron microscopy, neutron diffraction and physical properties ofBi~4~Sr~8~Cu~5~O~19+y~","Chemistry of Materials (1,1989-","1991","3","5","844","852","10.1021/cm00017a020","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006074","3.9367","0.0003","3.9367","0.0003","15.805","0.002","90","","90","","90","","244.9","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Dilanthanum dibarium dicopper dititanium oxide","","- Ba2 Cu2 La2 O11 Ti2 -","- Ba2 Cu2 La2 O11 Ti2 -","- Ba2 Cu2 La2 O11 Ti2 -","1","0.0625","","Gomez-Romero, P; Palacin, M R; Rodriguez-Carvajal, J","Crystal structure refinement of the layered copper-titanium perovskites Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data","Chemistry of Materials (1,1989-","1994","6","","2118","2122","10.1021/cm00047a036","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006075","3.91275","0.00006","3.91275","0.00006","15.7614","0.0003","90","","90","","90","","241.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Dineodymium dibarium dicopper dititanium oxide","","- Ba2 Cu2 Nd2 O11 Ti2 -","- Ba2 Cu2 Nd2 O11 Ti2 -","- Ba2 Cu2 Nd2 O11 Ti2 -","1","0.0625","","Gomez-Romero, P; Palacin, M R; Rodriguez-Carvajal, J","Crystal structure refinement of the layered copper-titanium perovskites Ln2 Ba2 Cu2 Ti2 O11 (Ln=La, Nd) from neutron powder diffraction data","Chemistry of Materials (1,1989-","1994","6","","2118","2122","10.1021/cm00047a036","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101142","6.3589","0.0004","10.7795","0.0006","10.3836","0.0006","90","","90.019","0.001","90","","711.75","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F2 Li5 O8 P2 V -","- F2 Li5 O8 P2 V -","- F8 Li20 O32 P8 V4 -","4","1","","Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F.","Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr)","Chemistry of Materials","2006","18","7","1745","1752","10.1021/cm0513738","","","0.71073","MoKα","","0.0422","0.0375","","","0.0732","0.0741","","","","","","1.683","","","","has coordinates","178242","2020-10-21","18:00:00",""
"1101224","7.3373","0.001","11.2668","0.0016","8.2369","0.0018","90","","97.387","0.003","90","","675.3","0.2","293","0.2","293","0.2","","","","","","","","4","I 1 2 1","I 2y","5","","Sodium molybdenum tellurium oxide","","- Mo3 Na2 O16 Te3 -","- Mo3 Na2 O16 Te3 -","- Mo6 Na4 O32 Te6 -","2","0.5","","Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv","Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties","Chemistry of Materials","2006","18","8","2070","2074","10.1021/cm052614e","","","0.71073","MoKα","","0.0337","0.0331","","","0.0886","0.0891","","","","","","1.081","","","","has coordinates","178244","2020-10-21","18:00:00",""
"1200020","3.7021","0.0005","3.7021","0.0005","18.593","0.004","90","","90","","90","","254.83","0.07","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Nickel Antimonide Selenide","","","- Ni5.72 Sb Se2 -","- Ni5.718 Sb Se2 -","- Ni11.436 Sb2 Se4 -","2","0.0625","","Thomas K. Reynolds; Joshua G. Bales; Francis J. DiSalvo","Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni7-SbX2 ( δ ≈ 1.3; X = Se or Te)","Chemistry of Materials","2002","14","11","4746","4751","10.1021/cm020585r","","","0.71073","MoKα","","0.0534","0.0534","","","0.1199","0.1199","","","","","","1.279","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1545098","15.2642","0.0008","15.1883","0.0009","6.0321","0.0007","90","","96.7418","0.0016","90","","1388.8","0.2","300","","300","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C17 H14 S2 -","- C17 H14 S2 -","- C68 H56 S8 -","4","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.03","0.0268","","","0.0655","0.0669","","","","","","1.015","","","","has coordinates","193408","2020-10-21","18:00:00",""
"1545099","9.1532","0.0005","6.0178","0.0003","11.7576","0.0007","90","","94.1913","0.0013","90","","645.9","0.06","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H12 S2 -","- C16 H12 S2 -","- C32 H24 S4 -","2","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.6893","synchrotron","","0.051","0.0369","","","0.0738","0.0774","","","","","","0.908","","","","has coordinates","193408","2020-10-21","18:00:00",""
"2000128","8.368","0.007","11.274","0.01","11.462","0.012","72.4","0.07","89.45","0.08","85.35","0.07","1027.2","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H18 Al3 N3 O16 P4 -","- C3 H18 Al6 N3 O20 P4 -","- C6 H36 Al12 N6 O40 P8 -","2","1","","Vidal, L.; Marichal, C.; Gramlich, V.; Patarin, J.; Gabelica, Z.","Mu-7, a New Layered Aluminophosphate [CH~3~NH~3~]~3~[Al~3~P~4~O~16~] with a 4 × 8 Network: Characterization, Structure, and Possible Crystallization Mechanism","Chemistry of Materials","1999","11","10","2728","2736","10.1021/cm991027o","","","","","","","0.0372","","","0.0372","","","","","","","","","","","has coordinates","178247","2020-10-21","18:00:00",""
"4000000","9.6395","0.0002","8.0062","0.0002","12.7395","0.0002","90","","97.0381","0.0011","90","","975.77","0.04","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Fe -","- C26 H26 Fe -","- C52 H52 Fe2 -","2","0.5","","Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L.","π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings","Chemistry of Materials","2000","12","6","1604","1610","10.1021/cm000093j","","","0.71073","MoKα","","0.0656","0.0534","","","0.1714","0.1871","","","","","","1.484","","","","has coordinates","178371","2020-10-21","18:00:00",""
"4000001","7.5442","0.0014","10.5836","0.0021","12.1279","0.0023","86.346","0.004","83.046","0.004","73.886","0.003","923","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 F5 Fe -","- C24 H17 F5 Fe -","- C48 H34 F10 Fe2 -","2","1","","Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L.","π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings","Chemistry of Materials","2000","12","6","1604","1610","10.1021/cm000093j","","","0.71073","MoKα","","0.0911","0.0565","","","0.1336","0.1557","","","","","","0.974","","","","has coordinates","178371","2020-10-21","18:00:00",""
"4000004","10.7378","0.0003","13.9667","0.0005","13.4215","0.0004","90","","108.263","0.0003","90","","1911.44","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H8 F10 Fe -","- C22 H8 F10 Fe -","- C88 H32 F40 Fe4 -","4","2","","Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L.","π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings","Chemistry of Materials","2000","12","6","1604","1610","10.1021/cm000093j","","","0.71073","MoKα","","0.1211","0.0981","","","0.2509","0.2857","","","","","","1.029","","","","has coordinates","178371","2020-10-21","18:00:00",""
"4000005","5.9556","0.0004","19.964","0.002","7.0281","0.0005","90","","90","","90","","835.6","0.1","293","2","293","2","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Sn3 Ti2 -","- Sn3 Ti2 -","- Sn24 Ti16 -","8","","","Kleinke, Holger; Waldeck, Markus; Gütlich, Philipp","Ti~2~Sn~3~: A Novel Binary Intermetallic Phase, Prepared by Chemical Transport at Intermediate Temperature","Chemistry of Materials","2000","12","8","2219","2224","10.1021/cm000131z","","","0.71073","MoKα","","0.0183","0.0116","","0.0256","0.0248","","","","0.785","0.852","0.852","","","","","has coordinates","178361","2020-10-21","18:00:00",""
"4000006","4.5376","0.001","11.4249","0.001","14.7464","0.001","75.604","0.01","83.876","0.01","83.047","0.01","732.69","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[EDT-TTF-CONHMe]2Cl.H2O","Bis[3-methylamido-3',4'-ethylenedithiotetrathiafulvalene] chloride, water solvate","","- C10 H9 Cl0.5 N O1.5 S6 -","- C10 H9 Cl0.603 N O1.397 S6 -","- C20 H18 Cl1.206 N2 O2.794 S12 -","2","1","","Heuzé, Karine; Mézière, Cécile; Fourmigué, Marc; Batail, Patrick; Coulon, Claude; Canadell, Enric; Auban-Senzier, Pascale; Jérome, Denis","An Efficient, Redox-Enhanced Pair of Hydrogen-Bond Tweezers for Chloride Anion Recognition, a Key Synthon in the Construction of a Novel Type of Organic Metal based on the Secondary Amide-Functionalized Ethylenedithiotetrathiafulvalene, β''-(EDT-TTF-CONHMe)~2~[Cl·H~2~O]","Chemistry of Materials","2000","12","7","1898","1904","10.1021/cm000143k","","","0.71073","MoKα","","0.1265","0.0446","","","0.0554","0.0668","","","","","","0.772","","","","has coordinates","178370","2020-10-21","18:00:00",""
"4000007","5.973","0.001","8.069","0.001","29.524","0.003","95.02","0.01","93.26","0.01","97.48","0.01","1402.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 O3 S -","- C30 H46 O3 S -","- C60 H92 O6 S2 -","2","1","","Lindsell, W. Edward; Preston, Peter N.; Seddon, John M.; Rosair, Georgina M.; Woodman, Thomas A. J.","Macroscopic Helical and Cylindrical Morphologies from Achiral 1,3-Diynes","Chemistry of Materials","2000","12","6","1572","1576","10.1021/cm000172v","","","0.71073","MoKα","","0.0619","0.0427","","","0.1067","0.1173","","","","","","1.022","","","","has coordinates","178370","2020-10-21","18:00:00",""
"4000008","14.805","0.003","7.485","0.001","21.038","0.004","90","","90","","90","","2331.3","0.7","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C2 H10 F Mn N2 O9 V3 -","- C2 H10 F Mn N2 O9 V3 -","- C16 H80 F8 Mn8 N16 O72 V24 -","8","1","","Law, Teresa S-C.; Williams, Ian D.","Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~]","Chemistry of Materials","2000","12","8","2070","2072","10.1021/cm000190c","","","0.71073","MoKα","","0.077","0.0439","","0.1351","0.1004","","","","1.041","1.089","1.089","","","","","has coordinates","178360","2020-10-21","18:00:00",""
"4000009","5.811","0.001","17.884","0.004","8.417","0.002","90","","101.04","0.01","90","","858.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H18 Mn N4 O12 V4 -","- C4 H18 Mn N4 O12 V4 -","- C8 H36 Mn2 N8 O24 V8 -","2","0.5","","Law, Teresa S-C.; Williams, Ian D.","Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~]","Chemistry of Materials","2000","12","8","2070","2072","10.1021/cm000190c","","","0.71073","MoKα","","0.0246","0.0222","","","0.0573","0.0586","","","","","","1.1","","","","has coordinates","178360","2020-10-21","18:00:00",""
"4000010","8.074","0.001","8.522","0.001","8.794","0.001","77.83","0.01","63.44","0.01","83.6","0.02","528.96","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H20 Mn N4 O18 V6 -","- C4 H20 Mn N4 O18 V6 -","- C4 H20 Mn N4 O18 V6 -","1","0.5","","Law, Teresa S-C.; Williams, Ian D.","Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~]","Chemistry of Materials","2000","12","8","2070","2072","10.1021/cm000190c","","","0.71073","MoKα","","0.0457","0.0426","","","0.1119","0.1154","","","","","","1.077","","","","has coordinates","178360","2020-10-21","18:00:00",""
"4000011","28.315","0.006","3.8719","0.0008","11.271","0.002","90","","90.45","0.03","90","","1235.6","0.4","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ce3.67 O3 Se6 Ti2 -","- Ce3.6884 O3 Se6 Ti2 -","- Ce14.7536 O12 Se24 Ti8 -","4","0.5","","Tougait, Olivier; Ibers, James A.","Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm)","Chemistry of Materials","2000","12","9","2653","2658","10.1021/cm000203m","","","0.71073","MoKα","","0.0286","0.0245","","","0.0589","0.0604","","","","","","1.015","","","","has coordinates","178370","2020-10-21","18:00:00",""
"4000012","28.121","0.006","3.8232","0.0008","11.179","0.002","90","","90.15","0.03","90","","1201.8","0.4","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Nd3.67 O3 Se6 Ti2 -","- Nd3.713 O3 Se6 Ti2 -","- Nd14.852 O12 Se24 Ti8 -","4","0.5","","Tougait, Olivier; Ibers, James A.","Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm)","Chemistry of Materials","2000","12","9","2653","2658","10.1021/cm000203m","","","0.71073","MoKα","","0.0322","0.0281","","","0.0689","0.0705","","","","","","1.206","","","","has coordinates","178370","2020-10-21","18:00:00",""
"4000013","27.961","0.006","3.7827","0.0008","11.128","0.002","90","","90.26","0.03","90","","1177","0.4","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- O3 Se6 Sm3.67 Ti2 -","- O3 Se6 Sm3.6434 Ti2 -","- O12 Se24 Sm14.5736 Ti8 -","4","0.5","","Tougait, Olivier; Ibers, James A.","Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm)","Chemistry of Materials","2000","12","9","2653","2658","10.1021/cm000203m","","","0.71073","MoKα","","0.0294","0.0253","","","0.0594","0.0607","","","","","","0.998","","","","has coordinates","178370","2020-10-21","18:00:00",""
"4000014","10.137","0.005","44.006","0.004","4.709","0.007","90","","90","","90","","2100","3","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 N4 Rb S12 Se8 Zn -","- C22 H16 N4 Rb0.25 S12 Se8 Zn0.25 -","- C44 H32 N8 Rb0.5 S24 Se16 Zn0.5 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0857","","","0.067","","","","","2.933","2.933","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000015","9.812","0.004","44.104","0.004","4.907","0.005","90","","90","","90","","2123","1","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 Co Cs N4 S12 Se8 -","- C22 H16 Co0.25 Cs0.25 N4 S12 Se8 -","- C44 H32 Co0.5 Cs0.5 N8 S24 Se16 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.1007","","","0.0705","","","","","3.126","3.126","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000016","9.818","0.006","44.13","0.005","4.906","0.007","90","","90","","90","","2125","2","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 Cs N4 S12 Se8 Zn -","- C22 H16 Cs0.25 N4 S12 Se8 Zn0.25 -","- C44 H32 Cs0.5 N8 S24 Se16 Zn0.5 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0673","","","0.0437","","","","","1.792","1.792","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000017","10.802","0.006","34.644","0.006","4.981","0.008","90","","117.44","0.05","90","","1654","3","298.2","","298.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H16 Ag N2 S8 Se8 -","- C20 H16 Ag0.5 N2 S8 Se8 -","- C40 H32 Ag N4 S16 Se16 -","2","0.5","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0577","","","0.0432","","","","","2.103","2.103","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000018","10.128","0.009","43.97","0.01","4.71","0.01","90","","90","","90","","2098","4","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 Co N4 Rb S12 Se8 -","- C22 H16 Co0.25 N4 Rb0.25 S12 Se8 -","- C44 H32 Co0.5 N8 Rb0.5 S24 Se16 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0799","","","0.0476","","","","","3.412","3.412","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000019","18.905","0.004","6.484","0.001","5.016","0.001","90","","90","","90","","614.9","0.2","100","1","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","m-nitroaniline","m-nitroaniline","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","","Goeta, Andrés E.; Wilson, Chick C.; Autino, Juan C.; Ellena, Javier; Punte, Graciela","Hydrogen Bonding in Nitroanilines: Neutron Diffraction Study of m-Nitroaniline at 100 K","Chemistry of Materials","2000","12","11","3342","3346","10.1021/cm001092u","","neutron","","neutron","","0.0529","0.0529","","","0.1377","0.1377","","","","","","1.117","","","","has coordinates","178334","2020-10-21","18:00:00",""
"4000020","24.691","0.001","24.691","0.001","14.556","0.001","90","","90","","90","","8873.5","0.9","153.2","","153.2","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H43 Cu2 F8 N8 Nb O2 -","- C40 H40 Cu F4.5 N8 Nb0.25 O2.5 -","- C320 H320 Cu8 F36 N64 Nb2 O20 -","8","0.25","","Norquist, Alexander J.; Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","Synthesis of the Neutral (CuF(NC~5~H~5~)~4~)~2~NbOF~5~ Cluster","Chemistry of Materials","2000","12","7","1905","1909","10.1021/cm0001354","","","0.7107","MoKα","","0.0515","0.052","","0.042","","0.042","","","1.401","","","1.4","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000021","11.6493","0.0014","9.5395","0.0014","21.751","0.003","90","","90","","90","","2417.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Bis(EDT)ethane","1,2-bis(3',4'-(ethylendithio)-tetrathiafulvalen-3-yl)ethane","","- C18 H14 S12 -","- C18 H14 S12 -","- C72 H56 S48 -","4","0.5","","Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale","Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^","Chemistry of Materials","2000","12","8","2250","2256","10.1021/cm0001511","","","0.71073","MoKα","","0.3571","0.0546","","0.1133","0.0693","","","","0.914","1.157","1.157","","","","","has coordinates","178342","2020-10-21","18:00:00",""
"4000022","14.503","0.0014","13.9152","0.0014","31.148","0.003","90","","90.644","0.01","90","","6285.6","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(EDT-TTF)ethane,FeCl4,0.5 THF","1,2-Bis(ethylenedithiotetrathiafulvalene)ethane cation, tetrachloroferrate, THF solvate","","- C20 H18 Cl4 Fe O0.5 S12 -","- C20 H18 Cl4 Fe O0.5 S12 -","- C160 H144 Cl32 Fe8 O4 S96 -","8","1","","Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale","Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^","Chemistry of Materials","2000","12","8","2250","2256","10.1021/cm0001511","","","0.71073","MoKα","","0.2077","0.0458","","0.0728","0.0489","","","","0.686","0.962","0.962","","","","","has coordinates","178342","2020-10-21","18:00:00",""
"4000023","14.5016","0.0014","13.9153","0.0014","31.139","0.003","90","","90.804","0.01","90","","6283","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(EDT)ethane, GaCl4, 0.5 THF","1,2-bis(ethylenedithiotetrathiafulvalenyl)ethane, tetrachlorogallate, 1/2 tetrahydrofurane","","- C20 H18 Cl4 Ga O0.5 S12 -","- C20 H18 Cl4 Ga O0.5 S12 -","- C160 H144 Cl32 Ga8 O4 S96 -","8","1","","Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale","Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^","Chemistry of Materials","2000","12","8","2250","2256","10.1021/cm0001511","","","0.71073","MoKα","","0.0873","0.0479","","0.1138","0.1006","","","","0.933","1.084","1.084","","","","","has coordinates","178342","2020-10-21","18:00:00",""
"4000024","15.252","0.008","15.2516","","10.749","0.004","90","","90","","120","","2165","1","296.2","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ce9 F18 H67.5 N10.5 O27 -","- Ce9 F18 N10.5 O27 -","- Ce18 F36 N21 O54 -","2","0.111111","","Yu, Ranbo; Wang, Dan; Kumada, Nobuhiro; Kinomura, Nobukazu","Novel Open-Framework Material: Cerium Oxyfluoride with CeO~6~F~2~ Dodecahedron","Chemistry of Materials","2000","12","12","3527","3529","10.1021/cm0003830","","","0.7107","MoKα","","","0.0446","","","","0.0509","","","","","","1.9","","","","has coordinates","180555","2020-10-21","18:00:00",""
"4000025","8.8052","0.0002","11.7986","0.0002","17.7276","0.0003","75.884","0.001","86.163","0.001","77.333","0.001","1742.44","0.06","298","2","298","2","","","","","","","grown by electrocrystallization","5","P -1","-P 1","2","","Bis(ethylenedithio)tetrathiafulvalenium pentafluorothiomethylsulfonate","","- C21 H18 F5 O3 S18 -","- C21 H18 F5 O3 S18 -","- C42 H36 F10 O6 S36 -","2","1","","Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H.","Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^","Chemistry of Materials","2000","12","2","343","351","10.1021/cm990238q","","","0.71073","MoKα","","0.0686","0.0504","","0.1474","0.1319","","","","0.963","1.019","1.019","","","","","has coordinates,has disorder","178359","2020-10-21","18:00:00",""
"4000026","8.7965","0.0002","11.7264","0.0002","17.5763","0.0004","95.893","0.001","90.178","0.001","102.286","0.001","1761.55","0.06","293","2","293","2","","","","","","","grown by electrocrystallization","5","P -1","-P 1","2","","Bis(ethylenedithio)tetrathiafulvalenium pentafluorothiofluoromethylsulfonate","","- C21 H17 F6 O3 S18 -","- C21 H17 F6 O3 S18 -","- C42 H34 F12 O6 S36 -","2","1","","Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H.","Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^","Chemistry of Materials","2000","12","2","343","351","10.1021/cm990238q","","","0.71073","MoKα","","0.0647","0.0508","","","0.126","0.1378","","","","","","1.06","","","","has coordinates,has disorder","178359","2020-10-21","18:00:00",""
"4000027","7.6994","0.0002","13.1514","0.0002","17.6425","0.0004","81.323","0.001","87.416","0.001","74.994","0.001","1705.74","0.06","120","2","120","2","","","","","","","grown by electrocrystallization","5","P -1","-P 1","2","","Bis(ethylenedithio)tetrathiafulvalenium pentafluorothiodifluoromethylsulfonate","","- C21 H16 F7 O3 S18 -","- C21 H16 F7 O3 S18 -","- C42 H32 F14 O6 S36 -","2","1","","Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H.","Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^","Chemistry of Materials","2000","12","2","343","351","10.1021/cm990238q","","","0.71073","MoKα","","0.0653","0.045","","","0.1051","0.1161","","","","","","1.007","","","","has coordinates","178359","2020-10-21","18:00:00",""
"4000028","9.383","0.003","9.923","0.003","8.342","0.002","97.85","0.02","111.75","0.02","113.01","0.02","627","0.5","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H68 N6 O22 P4 Zr3 -","- C4 N6 O22 P4 Zr2.5 -","- C4 N6 O22 P4 Zr2.5 -","1","0.5","","Wang, Dan; Yu, Ranbo; Kumada, Nobuhiro; Kinomura, Nobukazu","Nonaqueous Synthesis and Characterization of a Novel Layered Zirconium Phosphate Templated with Mixed Organic and Inorganic Cations","Chemistry of Materials","2000","12","4","956","960","10.1021/cm990454z","","","0.7107","MoKα","","0.2028","0.0511","","0.0717","0.0563","","","","1.317","1.632","1.632","","","","","has coordinates","178372","2020-10-21","18:00:00",""
"4000029","8.6139","0.0004","14.929","0.001","9.3109","0.0004","90","","106.541","0.004","90","","1147.82","","293","","293","","","","","","","","solvothermal synthesis","6","C 1 c 1","C -2yc","9","","ethyldiammonium gallium dihydrogen phosphate diphosphate","","- C2 H12 Ga N2 O11 P3 -","- C2 H12 Ga N2 O11 P3 -","- C8 H48 Ga4 N8 O44 P12 -","4","1","","Chippindale, Ann M.","Amine-Templated Unidimensional Phosphate‒Diphosphates of Gallium and Vanadium, [NH~3~CH~2~CH~2~NH~3~][M(H~2~PO~4~)(P~2~O~7~)] (M = Ga, V)","Chemistry of Materials","2000","12","3","818","822","10.1021/cm990578b","","","1.5418","CuKα","","","0.0439","","","0.0503","","","","","1.1104","1.1104","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000030","10.131","0.003","10.131","0.003","25.682","0.006","90","","90","","90","","2635.9","0.9","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 I O4 P -","- C28 H28 I O4 P -","- C112 H112 I4 O16 P4 -","4","1","","Bourgogne, Cyril; Fur, Yvette Le; Juen, Patrick; Masson, Patrick; Nicoud, Jean-François; Masse, René","Tetra(4-methoxyphenyl)phosphonium Iodide: A Twinned Crystal Built Up with Three-Dimensional Octupolar Nonlinear Optical Chromophores","Chemistry of Materials","2000","12","4","1025","1033","10.1021/cm991155c","","","0.5608","AgKα","","0.0482","0.048","","0.032","","0.032","","","1.163","","","1.16","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000031","10.1661","0.0006","10.1661","0.0006","5.9306","0.0004","90","","90","","120","","530.81","0.06","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba3 O3 S4 V2 -","- Ba3 O3 S4 V2 -","- Ba6 O6 S8 V4 -","2","0.333333","","Calvagna, Frank; Zhang, Jianhua; Li, Shoujian; Zheng, Chong","Synthesis and Structural Analysis of Ba3V2O3S4","Chemistry of Materials","2001","13","2","304","307","10.1021/cm000350k","","","0.71073","MoKα","","0.0444","0.0318","","","0.055","0.0604","","","","","","1.206","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000032","10.18","0.0006","15.8992","0.0009","23.2271","0.0012","90","","90","","90","","3759.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H56 N10 O29 P6 Ti3 -","- C10 H35 N10 O29 P6 Ti3 -","- C40 H140 N40 O116 P24 Ti12 -","4","1","","Guo, Yanghong; Shi, Zhan; Yu, Jihong; Wang, Jidong; Liu, Yunling; Bai, Ni; Pang, Wenqin","Solvothermal Synthesis and Characterization of a New Titanium Phosphate with a One-Dimensional Chiral Chain","Chemistry of Materials","2001","13","1","203","207","10.1021/cm000642l","","","0.71073","MoKα","","0.0603","0.0461","","","0.1132","0.1199","","","","","","1.062","","","","has coordinates","178255","2020-10-21","18:00:00",""
"4000033","15.93","0.004","15.93","0.004","21.213","0.005","90","","90","","90","","5383","2","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu14 Mn P11 -","- Eu14 Mn P11 -","- Eu112 Mn8 P88 -","8","0.25","","Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.","Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~","Chemistry of Materials","2001","13","4","1398","1406","10.1021/cm0007050","","","0.71073","MoKα","","0.039","0.0279","","","0.0483","0.0513","","","","","","0.968","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000034","16.318","0.002","16.318","0.002","21.684","0.004","90","","90","","90","","5773.7","1.6","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Eu14 Mn -","- As11 Eu14 Mn -","- As88 Eu112 Mn8 -","8","0.25","","Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.","Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~","Chemistry of Materials","2001","13","4","1398","1406","10.1021/cm0007050","","","0.71073","MoKα","","0.0788","0.0459","","","0.0781","0.0887","","","","","","0.996","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000035","7.7102","0.0002","9.4112","0.0002","16.2819","0.0004","94.259","0.001","99.989","0.001","100.99","0.002","1135.14","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cr Gd N8 O6 -","- C12 H20 Cr Gd N8 O6 -","- C24 H40 Cr2 Gd2 N16 O12 -","2","1","","Kou, Hui-Zhong; Gao, Song; Sun, Bai-Wang; Zhang, Jing","Metamagnetism of the First Cyano-Bridged Two-Dimensional Brick-Wall-like 4f‒3d Array","Chemistry of Materials","2001","13","5","1431","1433","10.1021/cm000889i","","","0.71073","MoKα","","0.0423","0.0392","","","0.1022","0.104","","","","","","1.136","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000036","5.6171","0.0005","7.7555","0.0001","18.185","0.002","90","","94.719","0.01","90","","789.52","0.09","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000037","5.3737","0.0008","7.9572","0.0001","20.561","0.004","90.001","0.01","97.938","0.01","89.98","0.02","870.7","0.2","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000038","37.17","0.003","5.6947","0.0004","7.6038","0.0006","90","0.005","90","0.005","90","0.005","1609.5","0.2","296.2","","296.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H13 N3 O4 -","- C18 H13 N3 O4 -","- C72 H52 N12 O16 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000039","41.576","0.003","5.4115","0.0002","7.8364","0.0006","90","0.005","90","0.005","90","0.005","1763.1","0.2","296.2","","296.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000040","14.0195","0.0005","8.1263","0.0004","15.0153","0.0006","90","","108.207","0.002","90","","1625","0.11","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 N3 O6 -","- C17 H13 N3 O6 -","- C68 H52 N12 O24 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000041","12.305","0.002","5.642","0.0007","25.979","0.004","90","","103.401","0.005","90","","1754.5","0.4","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N3 O6 -","- C19 H14 N3 O6 -","- C76 H56 N12 O24 -","4","2","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000042","15.7886","0.0011","10.0214","0.0007","16.142","0.0012","90","","106.046","0.006","90","","2454.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","spiro[4,5]([2,1-b:3,4-b']dithieno)decane","","- C14 H14 S2 -","- C14 H14 S2 -","- C112 H112 S16 -","8","2","","Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.","Steric Control of Conductivity in Highly Conjugated Polythiophenes","Chemistry of Materials","2001","13","5","1665","1673","10.1021/cm0009118","","","0.71073","MoKα","","0.0542","0.038","","0.1002","0.0896","","","","1.022","1.043","1.043","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000043","10.6898","0.0009","10.6898","0.0009","12.909","0.0013","90","","90","","90","","1475.1","0.2","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","4-(9-bicyclo[3.3.1]nonanylidene)cyclopenta[2,1-b:3,4-b']dithiophene","","- C18 H18 S2 -","- C18 H18 S2 -","- C72 H72 S8 -","4","0.5","","Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.","Steric Control of Conductivity in Highly Conjugated Polythiophenes","Chemistry of Materials","2001","13","5","1665","1673","10.1021/cm0009118","","","0.71073","MoKα","","0.0676","0.0422","","0.0976","0.0853","","","","1.061","1.076","1.076","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000044","18.593","0.011","9.663","0.003","10.159","0.003","90","","104.79","0.04","90","","1764.7","1.2","296","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 O S9 -","- C12 H10 O S9 -","- C48 H40 O4 S36 -","4","1","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000045","5.086","0.002","11.5","0.003","15.08","0.005","99.01","0.02","90.16","0.03","91.09","0.02","871","0.5","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 As F6 O4 S16 -","- C24 H20 As O4 S16 -","- C24 H20 As O4 S16 -","1","0.5","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.71073","MoK-alpha","","","0.074","","","0.085","","","","","2.558","2.558","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000046","8.0813","0.0004","24.418","0.003","6.707","0.002","90.35","0.02","105.766","0.013","95.495","0.008","1267.2","0.4","296","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 N4 O2 S8 -","- C23 H12 N4 O2 S8 -","- C46 H24 N8 O4 S16 -","2","1","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000047","6.4216","0.0002","10.099","0.0005","6.5008","0.0003","90","","99.622","0.003","90","","415.66","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Mn N8 O2 -","- C4 H4 Mn N8 O2 -","- C8 H8 Mn2 N16 O4 -","2","0.5","","Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song; Su, Gang","A Novel Azido and Pyrazine-Dioxide Bridged Three-Dimensional Manganese(II) Network with Antiferromagnetic Ordering (TN= 62 K) and a Spin Flop State","Chemistry of Materials","2001","13","6","1946","1948","10.1021/cm000941a","","","0.71073","MoKα","","0.0334","0.0262","","","0.0697","0.0732","","","","","","0.994","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000048","40.131","0.008","7.9554","0.0016","7.2309","0.0014","90","","91.71","0.03","90","","2307.5","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)","","- C40 H72 Cl4 Cu N2 -","- C20 H36 Cl2.003 Cu0.501 N -","- C80 H144 Cl8.012 Cu2.004 N4 -","4","1","","Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan","A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals","Chemistry of Materials","2001","13","6","2032","2041","10.1021/cm000804d","","","0.71073","MoKα","","0.1277","0.0797","","","0.2465","0.2803","","","","","","0.941","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000049","7.284","0.002","16.032","0.005","19.029","0.009","90","","92.38","0.06","90","","2220.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)","","- C20 H36 Cl2 Cu0.5 N -","- C20 H5 Cl2 Cu0.5 N -","- C80 H20 Cl8 Cu2 N4 -","4","1","","Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan","A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals","Chemistry of Materials","2001","13","6","2032","2041","10.1021/cm000804d","","","0.71073","MoKα","","0.1637","0.0832","","","0.2052","0.2422","","","","","","1.032","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000050","12.5566","0.0006","12.5566","0.0006","32.0324","0.0017","90","","90","","90","","5050.5","0.4","223","2","223","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C36 H84 Ga4 O12 -","- C36 H84 Ga4 O12 -","- C144 H336 Ga16 O48 -","4","0.5","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0353","0.028","","","0.0704","0.0759","","","","","","1.06","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000051","9.1778","0.0005","17.5206","0.0009","33.606","0.0018","90","","93.985","0.001","90","","5390.8","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Ga2 O6 -","- C30 H66 Ga2 O6 -","- C180 H396 Ga12 O36 -","6","1.5","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0387","0.0258","","","0.065","0.0723","","","","","","1.097","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000052","10.1444","0.0008","12.8117","0.001","14.4492","0.0011","90","","92.085","0.001","90","","1876.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H34 Ga N O3 -","- C14 H34 Ga N O3 -","- C56 H136 Ga4 N4 O12 -","4","1","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0461","0.0253","","","0.0598","0.0663","","","","","","0.962","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000053","10.3518","0.0008","22.4134","0.0018","8.3186","0.0007","90","","126.149","0.001","90","","1558.5","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O4 Zn -","- C16 H12 N2 O4 Zn -","- C64 H48 N8 O16 Zn4 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.0277","0.0255","","","0.0664","0.0677","","","","","","1.041","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000054","12.0137","0.0002","22.3435","0.0004","7.7738","0.0001","90","","123.509","0.001","90","","1739.89","0.05","198","2","198","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H14 Cd N2 O5 -","- C16 H12 Cd N2 O5 -","- C64 H48 Cd4 N8 O20 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.0545","0.0536","","","0.1444","0.1472","","","","","","1.068","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000055","22.92","0.02","28.738","0.017","22.999","0.013","90","","94.908","0.008","90","","15093","19","193","2","193","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4.35714 -","- C672 H448 Cd28 N56 O122 -","28","7","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.1197","0.067","","","0.1559","0.1808","","","","","","1.102","","","","has coordinates","203583","2020-10-21","18:00:00",""
"4000056","22.0278","0.0014","6.7802","0.0004","24.3992","0.0015","90","","105.096","0.001","90","","3518.3","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 N3 O8 Zn2 -","- C36.852 H25 N3 O7.426 Zn2 -","- C147.408 H100 N12 O29.704 Zn8 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.1242","0.061","","","0.1845","0.2117","","","","","","0.996","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000057","14.9179","0.0013","12.7554","0.0011","16.3222","0.0014","90","","93.89","0.002","90","","3098.7","0.5","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl4 Hg N2 -","- C32 H26 Cl4 Hg N2 -","- C128 H104 Cl16 Hg4 N8 -","4","1","","Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad","Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br)","Chemistry of Materials","2001","13","9","2743","2745","10.1021/cm0103545","","","0.71073","MoKα","","0.0803","0.0502","","","0.1274","0.1391","","","","","","0.992","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000058","15.2145","0.0013","12.7376","0.0011","16.4406","0.0015","90","","94.706","0.002","90","","3175.4","0.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Br2 Cl2 Hg N2 -","- C32 H26 Br2 Cl2 Hg N2 -","- C128 H104 Br8 Cl8 Hg4 N8 -","4","1","","Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad","Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br)","Chemistry of Materials","2001","13","9","2743","2745","10.1021/cm0103545","","","0.71073","MoKα","","0.0658","0.0443","","","0.1052","0.111","","","","","","1.002","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000059","8.8775","0.0007","8.8775","0.0007","23.775","0.003","90","","90","","120","","1622.7","0.2","293","2","293","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C6 H28 Cl Co N6 O26 P6 Zn8 -","- C6 H24 Cl Co N6 O26 P6 Zn8 -","- C12 H48 Cl2 Co2 N12 O52 P12 Zn16 -","2","0.166667","","Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren","Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O","Chemistry of Materials","2001","13","9","2972","2978","10.1021/cm010302f","","","0.71073","MoKα","","0.0423","0.041","","","0.1078","0.1089","","","","","","1.162","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000060","16.623","0.002","30.589","0.005","17.441","0.002","90","","90.352","0.01","90","","8868","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H56 Co2 N12 O32 P8 Zn6 -","- C12 H56 Co2 N12 O32 P8 Zn6 -","- C96 H448 Co16 N96 O256 P64 Zn48 -","8","1","","Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren","Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O","Chemistry of Materials","2001","13","9","2972","2978","10.1021/cm010302f","","","0.71073","MoKα","","0.1572","0.0515","","","0.0893","0.1101","","","","","","0.899","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000061","7.7094","0.0002","7.7094","0.0002","20.3266","0.0007","90","","90","","90","","1208.11","0.06","198","2","198","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H8 N2 O4 Zn -","- C16 H10.6667 N2.66667 O5.33333 Zn1.33333 -","- C48 H32 N8 O16 Zn4 -","3","0.375","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1016","0.0827","","","0.1866","0.1967","","","","","","1.465","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000062","10.0548","0.0008","10.2194","0.0008","12.7326","0.001","90","","105.169","0.002","90","","1262.74","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cd N2 O4 -","- C12 H8 Cd N2 O4 -","- C48 H32 Cd4 N8 O16 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.065","0.0355","","","0.087","0.0944","","","","","","0.981","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000063","20.6215","0.0004","36.4257","0.0002","6.2408","0.0001","90","","90","","90","","4687.79","0.12","198","2","198","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C28 H20 Cd N2 O4 -","- C28 H20 Cd N2 O4 -","- C224 H160 Cd8 N16 O32 -","8","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0612","0.0397","","","0.0755","0.0792","","","","","","0.883","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000064","21.8745","0.0012","15.1576","0.0008","32.8632","0.0018","90","","102.997","0.001","90","","10617.1","1","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H25.75 N2.25 O4.75 Zn -","- C31.5 H20 N2.25 O4.75 Zn -","- C504 H320 N36 O76 Zn16 -","16","4","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1789","0.0658","","","0.1502","0.1936","","","","","","0.87","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000065","7.6251","0.0005","25.4296","0.0018","5.8625","0.0004","90","","90","","90","","1136.76","0.13","198","2","198","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H22 N2 O5 Zn -","- C28 H22 N2 O4.38 Zn -","- C56 H44 N4 O8.76 Zn2 -","2","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0582","0.0364","","","0.088","0.0966","","","","","","1.021","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000066","17.1501","0.0015","9.9657","0.0009","12.1082","0.0011","90","","90","","90","","2069.4","0.3","173","2","173","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C24 H16 N2 O4 S2 Zn -","- C24 H16 N2 O4 S2 Zn -","- C96 H64 N8 O16 S8 Zn4 -","4","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1124","0.0451","","","0.0724","0.0877","","","","","","0.882","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000067","7.2214","0.001","7.5155","0.001","14.9226","0.0019","88.007","0.002","82.683","0.002","61.762","0.002","707.39","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(guanidinium) 4,4'-biphenyldisulfonate. (1,2-dimethylnaphthalene) clathrate","","","- C13 H16 N3 O3 S -","- C13.75 H10 N3 O3 S -","- C27.5 H20 N6 O6 S2 -","2","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0812","0.073","","","0.2068","0.2125","","","","","","0.993","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000068","7.308","0.0004","7.4666","0.0005","15.0563","0.0009","90.319","0.001","97.553","0.001","118.995","0.001","710.08","0.08","173","2","173","2","","","","","","","J. Swift, Prof. M. Ward","5","P -1","-P 1","2","98296","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0842","0.0681","","0.1938","0.1692","","","","1.001","1.043","1.043","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000069","7.5289","0.0004","12.4257","0.0007","25.4206","0.0015","90","","95.539","0.001","90","","2367","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(1,6-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H10 N3 O3 S -","- C100 H40 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.114","0.0759","","","0.2292","0.2521","","","","","","1.057","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000070","6.2313","0.0008","7.1774","0.001","14.736","0.002","78.793","0.002","89.763","0.002","86.279","0.002","645.11","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)(4,4'-biphenyldisulfonate).3/4(1,7-dimethylnaphthalene)","","","- C23 H29 N6 O6 S2 -","- C25.28 H20 N6 O6 S2 -","- C25.28 H20 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0723","0.0584","","","0.1679","0.1762","","","","","","1.126","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000071","6.2313","0.0008","7.1774","0.001","14.736","0.002","78.793","0.002","89.763","0.002","86.279","0.002","645.11","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)(4,4'-biphenyldisulfonate).0.75(1,7-dimethylnaphthalene)","","","- C23 H29 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0497","0.041","","","0.1121","0.1159","","","","","","1.068","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000072","17.3485","0.0012","7.4584","0.0005","21.6256","0.0015","90","","90","","90","","2798.2","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium)(4,4'-biphenyldisulfonate).(1,8-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C104 H128 N24 O24 S8 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.7107","MoKα","","0.1458","0.0703","","","0.19","0.2227","","","","","","0.936","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000073","17.3485","0.0012","7.4584","0.0005","21.6256","0.0015","90","","90","","90","","2798.2","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium)(4,4'-biphenyldisulfonate).(1,8-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","- C56 H80 N24 O24 S8 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0961","0.0452","","","0.0585","0.0627","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000074","7.5509","0.0007","25.493","0.002","12.0573","0.0012","90","","91.574","0.002","90","","2320.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,3-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H28 N3 O3 S -","- C100 H112 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0814","0.043","","","0.088","0.095","","","","","","0.852","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000075","31.569","0.002","7.356","0.0005","12.7025","0.0009","90","","109.611","0.003","90","","2778.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(guanidinium)(4,4'-biphenyldisulfonate).(2,6-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C104 H128 N24 O24 S8 -","4","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0659","0.0453","","","0.1161","0.1235","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000076","7.5382","0.0005","25.5444","0.0016","11.9693","0.0008","90","","92.656","0.001","90","","2302.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,6-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H28 N3 O3 S -","- C100 H112 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0521","0.0384","","","0.0979","0.1029","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000077","13.854","0.0009","77.733","0.005","7.5814","0.0005","90","","121.055","0.001","90","","6994.3","0.8","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,7-dimethylnaphthalene)","","","- C75 H84 N9 O9 S3 -","- C75 H84 N9 O9 S3 -","- C300 H336 N36 O36 S12 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0598","0.0473","","","0.1087","0.1133","","","","","","0.994","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000078","9.208","0.0003","9.208","0.0003","3.3169","0.0002","90","","90","","120","","243.553","0.018","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ba S8 V6 -","- Ba0.4758 S8 V6 -","- Ba0.4758 S8 V6 -","1","0.0833333","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0258","0.024","","","0.056","0.0567","","","","","","1.374","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000079","28.135","0.003","8.4347","0.0009","17.6423","0.0019","90","","91.797","0.002","90","","4184.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cd Cl2 N4 O7 -","- C15 H12 Cd Cl2 N4 O7 -","- C120 H96 Cd8 Cl16 N32 O56 -","8","1","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0563","0.0396","","","0.0946","0.1004","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000080","22.999","0.003","23.338","0.003","7.3888","0.0011","90","","90","","90","","3966.1","1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H12 Co N4 O10 -","- C14 H12 Co N4 O10 -","- C112 H96 Co8 N32 O80 -","8","1","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1211","0.0649","","","0.124","0.1443","","","","","","0.972","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000081","14.3826","0.0013","22.7555","0.0019","8.9757","0.0008","90","","90","","90","","2937.6","0.4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C29 H18 Cl2 Cu N6 O6 -","- C29 H18 Cl2 Cu N6 O6 -","- C116 H72 Cl8 Cu4 N24 O24 -","4","0.5","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0366","0.0358","","","0.1029","0.1036","","","","","","1.071","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000082","14.0364","0.0012","23.7595","0.0019","8.9706","0.0007","90","","90","","90","","2991.7","0.4","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C29 H18 Cl2 Co N6 O6 -","- C29 H18 Cl2 Co N6 O6 -","- C116 H72 Cl8 Co4 N24 O24 -","4","0.5","","Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad","Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0365","0.0353","","","0.0974","0.098","","","","","","1.061","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000083","6.711","0.001","6.614","0.001","17.72","0.004","90","","90","","90","","786.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H4 Mn N Se -","- C H4 Mn N Se -","- C8 H32 Mn8 N8 Se8 -","8","1","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0407","0.0278","","","0.0655","0.0694","","","","","","1.132","","","","has coordinates","218969","2020-10-21","18:00:00",""
"4000084","20.383","0.004","6.719","0.001","6.565","0.001","90","","90","","90","","899.1","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Mn2 N2 Se2 -","- C3 H10 Mn2 N2 Se2 -","- C12 H40 Mn8 N8 Se8 -","4","0.5","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0466","0.0367","","","0.0886","0.0924","","","","","","1.147","","","","has coordinates","218969","2020-10-21","18:00:00",""
"4000085","11.396","0.001","11.49","0.001","20.141","0.002","78.49","0.005","89.59","0.005","88","0.005","2582.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Hesathia[11]heterohelicene","Hesathia[11]heterohelicene","","- C34 H14 S6 -","- C34 H14 S6 -","- C136 H56 S24 -","4","2","","","","Chemistry of Materials","2001","","","","","","","","1.54178","CuKα","","0.1165","0.0626","","","0.1316","0.1625","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000086","11.498","0.006","16.858","0.012","15.235","0.003","90","","104.9","0.1","90","","2854","6","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(hfac)MHY]","","","- C12 H11 Cu F6 O2 -","- C12 Cu F6 O2 -","- C96 Cu8 F48 O16 -","8","2","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0697","","","0.0801","","","","","1.0582","1.0582","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000087","6.918","0.004","10.654","0.007","10.884","0.003","63.28","0.04","71.44","0.04","71.07","0.05","663.5","0.7","238","","238","","","","","","","","","5","P -1","-P 1","2","[Cu(tfac)(MHY)]","","","- C12 H14 Cu F3 O2 -","- C12 H14 Cu F3 O2 -","- C24 H28 Cu2 F6 O4 -","2","1","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0521","","","0.0632","","","","","0.9909","0.9909","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000088","7.321","0.005","20.312","0.011","9.868","0.006","90","","93.26","0.05","90","","1465","2","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(pfac)(MHY)]","","","- C12 H10 Cu F7 O2 -","- C12 H10 Cu F7 O2 -","- C48 H40 Cu4 F28 O8 -","4","1","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0506","","","0.0606","","","","","1.1331","1.1331","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000089","11.6273","0.0018","21.161","0.003","14.706","0.002","90","","103.93","0.003","90","","3512","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H21 N3 O39 U11 -","- N3 O39 U11 -","- N12 O156 U44 -","4","0.5","","Li, Yaping; Cahill, Christopher L.; Burns, Peter C.","Synthesis, Structural Characterization, and Topological Rearrangement of a Novel Open Framework U−O Material: (NH4)3(H2O)2{[(UO2)10O10(OH)][(UO4)(H2O)2]","Chemistry of Materials","2001","13","11","4026","4031","10.1021/cm0008359","","","0.71073","MoKα","","0.1613","0.077","","","0.1601","0.1812","","","","","","1.009","","","","has coordinates","192412","2020-10-21","18:00:00",""
"4000090","19.615","0.005","7.239","0.002","12.064","0.003","90","","127.929","0.004","90","","1351.2","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- Cl Cs3 H12 O25 U6 -","- Cl Cs3 O25 U6 -","- Cl2 Cs6 O50 U12 -","2","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1024","0.072","","","0.1596","0.1705","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000091","3.7928","0.0006","3.7928","0.0006","14.802","0.003","90","","90","","90","","212.94","0.07","295","2","295","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As Ti Zr -","- As Ti Zr -","- As4 Ti4 Zr4 -","4","0.125","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0407","0.0406","","0.0981","0.098","","","","1.479","1.497","1.497","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4000092","3.7325","0.0008","3.7325","0.0008","14.495","0.005","90","","90","","90","","201.94","0.09","295","2","295","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As Ti1.42 Zr0.58 -","- As Ti0.42 Zr0.58 -","- As4 Ti1.68 Zr2.32 -","4","0.125","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0304","0.0269","","0.0708","0.0701","","","","1.082","1.144","1.144","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000093","23.2272","0.0004","7.1751","0.0011","6.9727","0.0006","90","","90","","90","","1162.1","0.2","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- H17 Na8 O47.5 Si12 Ti5 -","- Na8 O47.5 Si12 Ti5 -","- Na8 O47.5 Si12 Ti5 -","1","0.0625","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1019","0.0677","","","0.1593","0.1795","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000094","23.19","0.005","7.2259","0.0013","6.9699","0.0013","90","","90","","90","","1167.9","0.4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- Na0.8 O7.6 Si2.4 Sr0.8 Ti -","- Na0.2 O9.464 Si2.4 Sr0.8 Ti -","- Na O47.32 Si12 Sr4 Ti5 -","5","0.3125","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.1111","0.0728","","","0.1692","0.1876","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000095","10.9267","0.0003","10.9267","0.0003","10.9267","0.0003","90","","90","","90","","1304.57","0.06","293","0.2","293","0.2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ga K O14 Te6 -","- Ga K O14 Te6 -","- Ga4 K4 O56 Te24 -","4","0.166667","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","0.71073","MoKα","","0.0175","0.0173","","0.0462","0.0461","","","","1.319","1.321","1.321","","","","","has coordinates","208250","2020-10-21","18:00:00",""
"4000096","8.8361","0.0006","9.1648","0.0006","9.9531","0.0007","115.395","0.001","93.973","0.001","116.011","0.001","620.63","0.07","293","0.2","","","","","","","","","","5","P -1","-P 1","2","","","","- Ga H3.6 K O7.8 Te2 -","- Ga K O7.8 Te2 -","- Ga3 K3 O23.4 Te6 -","3","1.5","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","","","","0.0271","0.0234","","","0.0619","0.0632","","","","","","1.114","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000097","11.302","0.002","12.505","0.002","13.007","0.002","80.78","0.01","76.67","0.01","86.51","0.01","1765.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(dibenzoylmethanato)bis(2-methylpyridine)ni","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)nickel(II), stable form","","- C42 H36 N2 Ni O4 -","- C42 H36 N2 Ni O4 -","- C84 H72 N4 Ni2 O8 -","2","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0595","0.0424","","","0.118","0.126","","","","","","1.063","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000098","8.768","0.001","35.91","0.005","12","0.002","90","","110.97","0.01","90","","3528.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(dibenzoylmethanato)bis(2-methylpyridine)ni","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)nickel(II), metastable f","","- C42 H36 N2 Ni O4 -","- C42 H36 N2 Ni O4 -","- C168 H144 N8 Ni4 O16 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0507","0.0343","","","0.0826","0.0873","","","","","","1.033","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000099","11.765","0.002","12.861","0.002","21.378","0.003","98.92","0.01","99.23","0.01","100.29","0.01","3084.7","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(dibenzoylmethanato)bis(2-methylpyridine)ni","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)nickel(II), clathrate wi","","- C50 H44 N2 Ni O4 -","- C50 H44 N2 Ni O4 -","- C150 H132 N6 Ni3 O12 -","3","1.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0918","0.0396","","","0.0798","0.0897","","","","","","0.877","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000100","8.234","0.001","9.595","0.002","13.214","0.002","79.51","0.01","77","0.01","82.23","0.01","995.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Bis(dibenzoylmethanato)bis(2-methylpyridine)ni","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)nickel(II), clathrate wi","","- C48 H41 Cl N2 Ni O4 -","- C48 H41 Cl N2 Ni O4 -","- C48 H41 Cl N2 Ni O4 -","1","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0469","0.0379","","","0.1021","0.1055","","","","","","1.059","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000101","21.189","0.003","28.212","0.004","10.05","0.002","90","","90","","90","","6007.7","1.7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","Bis(dibenzoylmethanato)(2-methylpyridine)zinc(","Bis(1,3-diphenyl-1,3-propanediono)(2-methylpyridine)zinc(II)","","- C36 H29 N O4 Zn -","- C36 H29 N O4 Zn -","- C288 H232 N8 O32 Zn8 -","8","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0271","0.0251","","","0.066","0.0674","","","","","","1.039","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000102","13.953","0.002","15.902","0.003","16","0.003","90","","102.73","0.01","90","","3462.8","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(dibenzoylmethanato)bis(2-methylpyridine)ca","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)cadmium(II), cis form","","- C42 H36 Cd N2 O4 -","- C42 H36 Cd N2 O4 -","- C168 H144 Cd4 N8 O16 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0654","0.0362","","","0.0749","0.0808","","","","","","0.917","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000103","11.516","0.002","16.417","0.002","18.622","0.003","90","","90","","90","","3520.6","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis(dibenzoylmethanato)bis(2-methylpyridine)ca","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)cadmium(II), trans form","","- C42 H36 Cd N2 O4 -","- C42 H36 Cd N2 O4 -","- C168 H144 Cd4 N8 O16 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0191","0.0172","","","0.0432","0.0438","","","","","","1.021","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000104","9.483","0.004","9.483","0.004","15.697","0.005","90","","90","","120","","1222.5","0.8","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- B Fe1.05 H0 N0.41 O10.59 P2 -","- B Fe1.051 N0.402 O10.598 P2 -","- B6 Fe6.306 N2.412 O63.588 P12 -","6","1","","Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Cardoso, Raul; Schnelle, Walter; Zhao, Jing-Tai; Kniep, Rüdiger","Open-Framework Borophosphates: (NH4)0.4Fe1.05(H2O)2[BP2O8]*0.6H2O and NH4Fe[BP2O8(OH)]","Chemistry of Materials","2001","","","","","","","","0.56087","AgKα","","0.0321","0.0261","","","0.062","0.0641","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000105","9.3698","0.0011","8.3092","0.0015","9.68","0.001","90","","102.049","0.013","90","","737.04","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- B Fe H5 N O9 P2 -","- B Fe H5 N O9 P2 -","- B4 Fe4 H20 N4 O36 P8 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.56087","AgKα","","0.0891","0.0412","","","0.0596","0.0674","","","","","","0.864","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000106","16.7265","0.0002","16.7265","0.0002","20.5822","0.0004","90","","90","","120","","4986.92","0.13","296","2","296","2","","","","","","","","4","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C27 H28 Co3 O26 -","- C27 H27 Co3 O26 -","- C162 H162 Co18 O156 -","6","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0351","0.0298","","","0.0766","0.0788","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000107","9.6096","0.0001","12.561","0.0001","13.9736","0.0002","90","","109.239","0.001","90","","1592.5","0.03","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H21 Co3 K O23 -","- C27 H11 Co3 K O23 -","- C54 H22 Co6 K2 O46 -","2","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0367","0.0306","","","0.0861","0.0889","","","","","","1.065","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000108","15.933","0.001","7.042","0.0005","8.6496","0.0006","90","","91.661","0.001","90","","970.08","0.11","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 Ce2 F10 N2 -","- C2 H10 Ce2 F10 N2 -","- C8 H40 Ce8 F40 N8 -","4","0.5","","Sykora, Richard E.; Albrecht-Schmitt, T. E.","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0174","0.0165","","0.0419","0.0413","","","","1.099","1.11","1.11","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000109","10.9439","0.0009","6.9769","0.0006","8.7108","0.0008","90","","94.031","0.001","90","","663.46","0.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ce2 F10 H16 Ni O8 -","- Ce2 F10 H16 Ni O8 -","- Ce4 F20 H32 Ni2 O16 -","2","0.5","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0191","0.0188","","0.0463","0.0462","","","","1.222","1.225","1.225","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000110","17.727","0.007","9.722","0.007","20.761","0.006","90","","110.88","0.02","90","","3343","2","301.2","","301.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Ba N6 O5 S2 -","- C28 H42 Ba N6 O5 S2 -","- C112 H168 Ba4 N24 O20 S8 -","4","0.5","","Chan, Suk Hang; Wong, Wing Tak; Chan, Wai Kin","Synthesis and Properties of Polyimide with Diazacrown Ether Moiety and the Corresponding Polymer Barium Complexes","Chemistry of Materials","2001","13","12","4635","4641","10.1021/cm0103500","","","0.7107","MoKalpha","","","0.0406","","","0.0358","","","","","1.255","1.255","","","","","has coordinates","277941","2022-09-17","18:03:31",""
"4000111","6.5447","0.0004","6.5447","0.0004","7.696","0.0006","90","","90","","90","","329.64","0.04","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Eu Ge Li2 S4 -","- Eu Ge Li2 S4 -","- Eu2 Ge2 Li4 S8 -","2","0.125","","Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G.","Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression","Chemistry of Materials","2001","13","12","4714","4721","10.1021/cm0105357","","","0.71073","MoKα","","0.0224","0.0224","","","0.0551","0.0551","","","","","","1.148","","","","has coordinates","277940","2022-09-17","16:36:05",""
"4000112","17.1905","0.0009","16.242","0.0009","26.8593","0.0018","90","","91.593","0.002","90","","7496.4","0.8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C39 H46 Cl2 Cu N6 O2 -","- C39 H42 Cl2 Cu N6 O2 -","- C312 H336 Cl16 Cu8 N48 O16 -","8","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm011235s","","","0.71073","MoKα","","0.1305","0.0788","","0.2415","0.2028","","","","1.021","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000113","16.3139","0.0012","18.2111","0.0013","36.247","0.003","90","","90","","90","","10768.8","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl2 Cu N4 O1.5 -","- C26 H28 Cl2 Cu N4 O1.5 -","- C416 H448 Cl32 Cu16 N64 O24 -","16","4","","","","Chemistry of Materials","2002","","","","","10.1021/cm011235s","","","0.71073","MoKα","","0.1032","0.0824","","0.2533","0.2266","","","","1.044","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000114","17.221","0.0007","17.221","0.0007","40.9649","0.0017","90","","90","","90","","12148.7","0.9","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C26 H33.5 Cl2 Cu N4 O2.75 -","- C26 H28 Cl2 Cu N4 O2.75 -","- C416 H448 Cl32 Cu16 N64 O44 -","16","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm011235s","","","0.71073","MoKα","","0.121","0.0991","","0.2678","0.2555","","","","1.059","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000115","17.2235","0.0007","17.2235","0.0007","22.6555","0.0009","90","0.0008","90","0.0008","90","0.0008","6720.7","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Eu~13~CaMnSb~11~","","","- Ca Eu13 Mn Sb11 -","- Ca1.472 Eu12.528 Mn Sb11 -","- Ca11.776 Eu100.224 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm011624m","","","0.71073","MoKα","","0.0513","0.0413","","","0.1085","0.1129","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000116","17.1737","0.0007","17.1737","0.0007","22.5741","0.001","90","0.001","90","0.001","90","0.001","6657.9","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Eu~12~Ca~2~MnSb~11~","","","- Ca2 Eu12 Mn Sb11 -","- Ca2.81 Eu11.19 Mn Sb11 -","- Ca22.48 Eu89.52 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm010512s","","","0.71073","MoKα","","0.0489","0.0392","","","0.1081","0.1122","","","","","","1.11","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000117","8.031","0.001","12.155","0.002","12.471","0.002","61.53","0.01","79.66","0.01","76.57","0.01","1037.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(dibenzoylmethanato)bis-(4-phenylpyridine)nickel(II)","Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II)","","- C52 H40 N2 Ni O4 -","- C52 H40 N2 Ni O4 -","- C52 H40 N2 Ni O4 -","1","0.5","","","","Chemistry of Materials","2002","","","","","10.1021/cm010681c","","","0.7107","MoKα","","0.0344","0.0307","","","0.0826","0.0845","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000118","11.565","0.002","12.354","0.002","13.205","0.002","110.34","0.01","94.32","0.01","117.73","0.01","1500.6","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with benzene 1:4","Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with benzene 1:4","","- C76 H64 N2 Ni O4 -","- C76.096 H64.096 N2 Ni O4 -","- C76.096 H64.096 N2 Ni O4 -","1","0.5","","","","Chemistry of Materials","2002","","","","","10.1021/cm010681c","","","0.7107","MoKα","","0.0654","0.0389","","","0.0902","0.0963","","","","","","1.02","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000119","11.278","0.002","13.63","0.002","16.378","0.002","80.81","0.01","70.94","0.01","74.38","0.01","2284.6","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with benzene 1:1","Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with benzene 1:1","","- C58 H46 N2 Ni O4 -","- C58 H46 N2 Ni O4 -","- C116 H92 N4 Ni2 O8 -","2","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm010681c","","","0.7107","MoKα","","0.0744","0.0445","","","0.101","0.1082","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000120","11.278","0.002","13.634","0.002","16.407","0.003","80.87","0.01","70.76","0.01","74.65","0.01","2289.9","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with fluorobenzene 1:1","Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with fluorobenzene 1:1","","- C58 H45 F N2 Ni O4 -","- C58.102 H45.085 F1.017 N2 Ni O4 -","- C116.204 H90.17 F2.034 N4 Ni2 O8 -","2","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm010681c","","","0.7107","MoKα","","0.1193","0.0516","","","0.1024","0.1158","","","","","","0.873","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"4000121","11.318","0.002","13.694","0.003","16.43","0.003","81.43","0.01","70.09","0.01","75.73","0.01","2314.5","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with chlorobenzene 1:1","Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with chlorobenzene 1:1","","- C58 H45 Cl N2 Ni O4 -","- C58.03 H45.025 Cl1.005 N2 Ni O4 -","- C116.06 H90.05 Cl2.01 N4 Ni2 O8 -","2","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm010681c","","","0.7107","MoKα","","0.132","0.0515","","","0.0936","0.1075","","","","","","0.878","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000122","11.333","0.002","13.738","0.002","16.409","0.003","82.14","0.01","69.93","0.01","76.75","0.01","2331","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with bromobenzene 1:1","Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with bromobenzene 1:1","","- C58 H45 Br N2 Ni O4 -","- C57.9592 H44.966 Br0.9932 N2 Ni O4 -","- C115.918 H89.932 Br1.9864 N4 Ni2 O8 -","2","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm010681c","","","0.7107","MoKα","","0.0645","0.0436","","","0.114","0.1195","","","","","","1.08","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000123","11.295","0.002","13.77","0.002","16.376","0.003","81.27","0.01","69.95","0.01","75.4","0.01","2309.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with toluene 1:1","Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with toluene 1:1","","- C59 H48 N2 Ni O4 -","- C59.161 H48.184 N2 Ni O4 -","- C118.322 H96.368 N4 Ni2 O8 -","2","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm010681c","","","0.7107","MoKα","","0.1118","0.0548","","","0.1158","0.1302","","","","","","0.914","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000124","11.321","0.002","13.989","0.002","16.46","0.003","80.95","0.01","68.68","0.01","75.9","0.01","2348.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(dibenzoylmethanato)bis- (4-phenylpyridine)nickel(II), clathrate with o-xylene 1:1","Bis(1,3-diphenyl-1,3-propanediono)bis(4-phenylpyridine)nickel(II), clathrate with o-xylene 1:1","","- C60 H50 N2 Ni O4 -","- C60.1128 H50.141 N2 Ni O4 -","- C120.226 H100.282 N4 Ni2 O8 -","2","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm010681c","","","0.7107","MoKα","","0.0716","0.0417","","","0.0956","0.103","","","","","","1.017","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000125","24.08","0.02","5.838","0.009","22.46","0.02","90","","118.94","0.04","90","","2762","5","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl4 Co0.05 Fe0.95 S12 -","- C14 H12 Cl4 Co0.47 S12 -","- C56 H48 Cl16 Co1.88 S48 -","4","0.5","","","","Chemistry of Materials","2002","","","","","10.1021/cm010808y","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000126","24.163","0.004","5.841","0.002","22.577","0.004","90","","119","","90","","2779.5","0.9","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl4 Co0.3 Ga0.7 S12 -","- C28 H24 Cl8 Ga0.8 S24 -","- C56 H48 Cl16 Ga1.6 S48 -","2","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm010808y","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000127","24.073","0.006","5.847","0.007","22.45","0.01","90","","118.93","0.03","90","","2765","3","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl4 Co0.4 Fe0.6 S12 -","- C14 H12 Cl4 Co0.44 S12 -","- C56 H48 Cl16 Co1.76 S48 -","4","0.5","","","","Chemistry of Materials","2002","","","","","10.1021/cm010808y","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000128","24.32","0.01","5.837","0.002","22.576","0.006","90","","119.94","0.03","90","","2777","2","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl4 Co0.9 Mn0.1 S12 -","- C14 H12 Cl4 Co0.33 S12 -","- C56 H48 Cl16 Co1.32 S48 -","4","0.5","","","","Chemistry of Materials","2002","","","","","10.1021/cm010808y","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000129","9.12","0.003","9.2563","0.0018","11.576","0.002","76.256","0.015","76.405","0.018","84.983","0.019","922.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Fe N12 S2 -","- C40 H30 Fe N12 S2 -","- C40 H30 Fe N12 S2 -","1","0.5","","Dunru Zhu; Yan Xu; Zhi Yu; Zijian Guo; Xiaozeng You; Hai Sang","A Novel Bis(trans-thiocyanate)iron(II) Spin Transition Molecular Material with Bidentate Triaryltriazole Ligands and its Bis(cis-thiocyanate)iron(II) High-spin Isomer","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0741","0.0541","","","0.1372","0.1513","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000130","21.851","0.003","13.4113","0.0015","16.859","0.003","90","","128.153","0.009","90","","3885","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Fe N12 S2 -","- C40 H30 Fe N12 S2 -","- C160 H120 Fe4 N48 S8 -","4","0.5","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.132","0.0697","","","0.1789","0.2265","","","","","","1.015","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000131","3.8947","0.0003","18.039","0.002","19.303","0.002","90","","92.202","0.003","90","","1355.2","0.2","298","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H9 N O3 -","- C21 H9 N O3 -","- C84 H36 N4 O12 -","4","1","","","Heterotriangulenes-Structure and Properties","Chemistry of Materials","2002","","","","","10.1021/cm010929y","","","","MoKα","","0.1194","0.062","","","0.1536","0.2082","","","","","","1.262","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000132","9.2322","0.0002","13.508","0.0004","10.7647","0.0003","90","","91.337","0.001","90","","1342.08","0.06","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 N O2 -","- C20 H11 N O2 -","- C80 H44 N4 O8 -","4","0.5","","","","Chemistry of Materials","2002","","","","","10.1021/cm010929y","","","","MoKα","","0.0447","0.0392","","","0.1057","0.1129","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000133","8.6891","0.0002","9.1609","0.0002","9.3638","0.0003","68.97","0.001","79.005","0.001","75.622","0.001","669.65","0.03","","","","","","","","","","","","4","P 1","-P 1","2","","","","- C19 H13 N O -","- C19 H13 N O -","- C38 H26 N2 O2 -","2","2","","Field, Jason E.; Venkataraman, D.","HeterotriangulenesStructure and Properties","Chemistry of Materials","2002","14","3","962","964","10.1021/cm010929y","","","","MoKα","","0.0648","0.0525","","","0.152","0.1657","","","","","","1.058","","","","has coordinates","198537","2020-10-21","18:00:00",""
"4000134","8.2076","0.0008","8.8702","0.0008","15.687","0.002","102.006","0.004","91.049","0.003","103.99","0.01","1081.1","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O6 -","- C48 H42 N2 O12 -","- C48 H42 N2 O12 -","","","","","","Chemistry of Materials","2002","","","","","10.1021/cm010929y","","","","","","0.0942","0.053","","","0.1107","0.1334","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000135","9.7295","0.0006","13.7023","0.001","20.9998","0.0014","102.886","0.008","99.294","0.007","90.223","0.008","2691","0.4","200","","","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H61 N5 O10 -","- C63 H61 N5 O10 -","- C126 H122 N10 O20 -","2","1","","Homayoun Nozary; Claude Piguet; Jean-Pierre Rivera; Paul Tissot; Pierre-Yves Morgantini; Jacques Weber; Bernardinelli, Gérald; Jean-Claude G. Bnzli; Robert Deschenaux; Bertrand Donnio; Daniel Guillon","Aromatic Bent-Core Liquid Crystals: an Opportunity for Introducing Terdentate Binding Units into Mesophases","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","","0.053","","","","0.056","","","","","","2.016","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000136","13.6773","0.0011","14.6177","0.0011","20.809","0.002","75.803","0.011","79.667","0.011","89.016","0.01","3966.3","0.7","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C81 H87 F9 Lu N5 O17 -","- C81 H87 F9 Lu N5 O17 -","- C162 H174 F18 Lu2 N10 O34 -","2","1","","Homayoun Nozary; Claude Piguet; Jean-Pierre Rivera; Paul Tissot; Pierre-Yves Morgantini; Jacques Weber; Bernardinelli, Gérald; Jean-Claude G. Bnzli; Robert Deschenaux; Bertrand Donnio; Daniel Guillon","Aromatic Bent-Core Liquid Crystals: an Opportunity for Introducing Terdentate Binding Units into Mesophases","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","","0.041","","","","0.04","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000137","9.061","0.005","9.061","0.005","23.394","0.005","90","0.005","90","0.005","120","0.005","1663.4","1.3","298","2","298","2","","","","","","","","6","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C8 H15.84 Cd N2 O19.92 Zr -","- C8 H15.84 Cd N2 O19.92 Zr -","- C24 H47.52 Cd3 N6 O59.76 Zr3 -","3","0.25","","","","Chemistry of Materials","2002","","","","","","","","0.71069","MoKα","","0.0504","0.0309","","","0.0721","0.0791","","","","","","1.083","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000138","9.105","0.005","9.105","0.005","23.656","0.005","90","0.005","90","0.005","120","0.005","1698.4","1.4","298","2","298","2","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C10 H14.12 Cd N2 O20.39 Zr -","- C10 H14.12 Cd N2 O20.394 Zr -","- C30 H42.36 Cd3 N6 O61.182 Zr3 -","3","0.5","","","","Chemistry of Materials","2002","","","","","","","","0.71069","MoKα","","0.0452","0.0406","","","0.118","0.1204","","","","","","1.217","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000139","11.2578","0.0004","12.5259","0.0005","13.939","0.0007","90","","102.445","0.0034","90","","1919.41","","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","copper antimony sulfide","","- C2 H6 Cu N S10 Sb6 -","- C2 H6 Cu N S10 Sb6 -","- C8 H24 Cu4 N4 S40 Sb24 -","4","1","","","","Chemistry of Materials","2002","","","","","","","","0.7107","MoKα","","","0.024","","","0.031","","","","","0.9152","0.9152","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000140","9.669","0.003","16.446","0.006","20.417","0.007","90","","94.941","0.006","90","","3234.7","1.9","131","2","131","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 O7 Si V -","- C24 H54 O7 Si V -","- C96 H216 O28 Si4 V4 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm011524g","","","0.71073","MoKα","","0.1868","0.0603","","0.1319","0.1022","","","","0.823","1.104","1.104","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000141","9.616","0.002","16.597","0.003","27.803","0.006","90","","96.78","0.03","90","","4406.2","1.5","161","2","161","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 O10 Si2 V -","- C32 H72 O10 Si2 V -","- C128 H288 O40 Si8 V4 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm011524g","","","0.71073","MoKα","","0.1216","0.047","","0.1082","0.0957","","","","0.78","1.058","1.058","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000142","12.118","0.007","13.066","0.005","14.453","0.007","90","","100.92","0.07","90","","2247","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Cd F12 O6 -","- C14 H12 Cd F12 O6 -","- C56 H48 Cd4 F48 O24 -","4","1","","","A Liquid MOCVD Precursor for Thin Films of CdO.","Chemistry of Materials","2002","","","","","10.1021/cm0112946","","","0.7107","MoKα","","0.107","0.0831","","","0.2051","0.231","","","","","","1.146","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000143","21.931","0.004","20.688","0.004","15.877","0.003","90","","130.17","0.03","90","","5504.9","1.9","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 O2 Sr -","- C28 H46 O2 Sr -","- C224 H368 O16 Sr8 -","8","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm0111130","","","0.71073","MoKα","","0.1054","0.0686","","","0.1584","0.172","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000144","22.054","0.004","20.556","0.004","16.087","0.003","90","","129.45","0.03","90","","5631.1","1.9","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H46 Ba O2 -","- C28 H46 Ba O2 -","- C224 H368 Ba8 O16 -","8","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm0111130","","","0.71073","MoKα","","0.0471","0.0409","","","0.1042","0.1076","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000145","8.1121","0.0002","14.5315","0.0005","12.8176","0.0003","90","","103.979","0.002","90","","1466.2","0.07","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-Methyl-1-methylpyrroliden-1-ium bis(trifluoromethylsulphonyl)amide","","- C8 H12 F6 N2 O4 S2 -","- C8 H12 F6 N2 O4 S2 -","- C32 H48 F24 N8 O16 S8 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm0107777","","","0.71073","MoKα","","0.1045","0.0568","","","0.1254","0.1491","","","","","","1.06","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000146","8.5034","0.0002","13.8305","0.0004","12.8083","0.0003","90","","98.785","0.002","90","","1488.66","0.07","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N-Dimethylpyrrolidinium bis(trifluoromethylsulphonyl)amide","","- C8 H14 F6 N2 O4 S2 -","- C8 H14 F6 N2 O4 S2 -","- C32 H56 F24 N8 O16 S8 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm0107777","","","0.71073","MoKα","","0.0613","0.0367","","","0.0722","0.0794","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000147","7.6084","0.0001","14.215","0.0003","12.5086","0.0003","90","","106.552","0.001","90","","1296.8","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N,N-Trimethylammonium bis(trifluoromethylsulphonyl)amide","","- C5 H10 F6 N2 O4 S2 -","- C5 H10 F6 N2 O4 S2 -","- C20 H40 F24 N8 O16 S8 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm0107777","","","0.71073","MoKα","","0.0401","0.0314","","","0.0788","0.084","","","","","","1.08","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000148","9.7417","0.0001","22.8615","0.0003","10.0251","0.0001","90","","97.62","0.001","90","","2213","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N,N,N,N-tetrakis(n-propyl)ammonium bis(trifluoromethylsulphonyl)amide","","- C14 H28 F6 N2 O4 S2 -","- C14 H28 F6 N2 O4 S2 -","- C56 H112 F24 N8 O16 S8 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm0107777","","","0.71073","MoKα","","0.0795","0.0464","","","0.1035","0.1169","","","","","","1.031","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000149","17.387","0.0009","17.387","0.0009","22.7773","0.0011","90","0.001","90","0.001","90","0.001","6885.8","0.6","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Eu13BaMnSb11","","","- Ba Eu13 Mn Sb11 -","- Ba1.4 Eu12.6 Mn Sb11 -","- Ba11.2 Eu100.8 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm011624m","","","0.71073","MoKα","","0.0876","0.0544","","","0.1299","0.1444","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000151","17.2989","0.0007","17.2989","0.0007","22.7809","0.0009","90","0.0009","90","0.0008","90","0.0009","6817.2","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Eu~13~SrMnSb~11~","","","- Eu13 Mn Sb11 Sr -","- Eu12.916 Mn Sb11 Sr1.084 -","- Eu103.328 Mn8 Sb88 Sr8.672 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm011624m","","","0.71073","MoKα","","0.052","0.0402","","","0.1084","0.113","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000152","17.28","0.0007","17.28","0.0007","22.733","0.0008","90","0.0008","90","0.0009","90","0.0009","6788","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Eu13YbMnSb11","","","- Eu13 Mn Sb11 Yb -","- Eu12.892 Mn Sb11 Yb1.108 -","- Eu103.136 Mn8 Sb88 Yb8.864 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm011624m","","","0.71073","MoKα","","0.0501","0.0383","","","0.1005","0.105","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000153","11.1463","0.0005","13.321","0.0006","9.7149","0.0004","90","","105.478","0.001","90","","1390.15","0.11","293","0.2","295","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- In2 O15 Se6 -","- C2 H6 Nb0.5 O4 Re0.5 -","- C8 H24 Nb2 O16 Re2 -","4","2","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.1419","0.0679","","","0.1417","0.1604","","","","","","0.902","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000154","3.6773","0.0007","6.2569","0.0013","11.969","0.002","91.01","0.03","97.53","0.03","91.03","0.03","272.91","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 Eu2 O8 -","- C8 H4 Eu2 O8 -","- C8 H4 Eu2 O8 -","1","0.5","","Serre,Christian; Millange, Franck; Marrot, Jerome; Ferey, Gerard","Hydrothermal Synthesis, Structure Determination, Thermal Behavior of New Three-dimensional Europium Terephtalates : MIL-51LT, HT and MIL-52 or Eu2n(OH)x(H2O)y(O2C-C6H4-CO2)z (n=III, III, II; x=4, 0, 0; y=2, 0, 0; z=1, 1, 2)","Chemistry of Materials","2002","","","","","10.1021/cm0211148","","","0.71073","MoKα","","0.1124","0.0461","","","0.099","0.1183","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000155","7.4052","0.0002","10.1144","0.0003","18.7512","0.0005","90","","90","","90","","1404.45","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H8 Eu2 O8 -","- C16 H8 Eu2 O8 -","- C64 H32 Eu8 O32 -","4","0.5","","","","Chemistry of Materials","2002","","","","","10.1021/cm0211148","","","0.71073","MoKα","","0.0385","0.0263","","","0.0572","0.0608","","","","","","0.976","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000156","3.2146","0.001","3.2146","0.001","11.3857","0.0013","90","","90","","120","","101.89","0.05","290","2","290","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu O2 Sc -","- Cu0.5 O Sc0.5 -","- Cu2 O4 Sc2 -","4","0.166667","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","","","0.71069","MoKα","","0.0235","0.0187","","","0.0351","0.0358","","","","","","1.255","","","","has coordinates","270058","2021-10-23","00:09:47",""
"4000157","3.2163","0.0004","3.2163","0.0004","11.409","0.001","90","","90","","120","","102.21","0.01","11","1","11","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.79","","","","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000158","3.2162","0.0004","3.2163","0.0004","11.408","0.001","90","","90","","120","","102.19","0.01","50","1","50","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.79","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000159","3.2164","0.0004","3.2164","0.0004","11.407","0.001","90","","90","","120","","102.2","0.01","100","1","100","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.63","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000160","3.2168","0.0004","3.2168","0.0004","11.406","0.001","90","","90","","120","","102.21","0.01","150","1","150","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu Mg0.08 O2 Sc0.92 -","- Cu2 Mg0.16 O4 Sc1.84 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.77","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000161","3.2173","0.0004","3.2173","0.0004","11.405","0.001","90","","90","","120","","102.24","0.01","200","1","200","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.68","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000162","3.2182","0.0004","3.2182","0.0004","11.405","0.001","90","","90","","120","","102.29","0.01","250","1","250","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.69","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000163","3.2189","0.0004","3.2189","0.0004","11.404","0.001","90","","90","","120","","102.33","0.01","300","1","300","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.38","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000164","3.2275","0.0004","3.2275","0.0004","11.413","0.001","90","","90","","120","","102.96","0.01","573","1","573","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.4","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000165","3.2315","0.0004","3.2315","0.0004","11.418","0.001","90","","90","","120","","103.26","0.01","723","1","723","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.35","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000166","3.2357","0.0004","3.2357","0.0004","11.423","0.001","90","","90","","120","","103.57","0.01","873","1","873","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.34","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000167","3.2422","0.0004","3.2422","0.0004","11.431","0.001","90","","90","","120","","104.06","0.01","1073","1","1073","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.4","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000168","3.2472","0.0004","3.2472","0.0004","11.436","0.001","90","","90","","120","","104.43","0.01","1206","1","1206","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","2H Copper Scandium Oxide","","- Cu O2 Sc -","- Cu O2 Sc -","- Cu2 O4 Sc2 -","2","0.0833333","","Li, J.; Yokochi, A.; Amos, T. G.; Sleight, A. W.","Strong Negative Thermal Expansion along the O–Cu–O Linkage in CuScO~2~","Chemistry of Materials","2002","14","6","2602","2606","10.1021/cm011633v","powder diffraction","neutron","1.5402","neutron","","","","","","","","","","1.47","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000169","9.4001","0.0015","5.2383","0.0008","15.725","0.003","90","","104.799","0.003","90","","748.6","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- I2 K O8 V -","- I2 K O8 V -","- I8 K4 O32 V4 -","4","1","","Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0286","0.0259","","0.0853","0.0678","","","","1.171","0.965","0.965","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000170","5.2878","0.0009","7.983","0.001","9.669","0.002","72.456","0.003","89.686","0.003","87.929","0.003","388.91","0.12","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- I2 O8 Rb V -","- I2 O8 Rb V -","- I4 O16 Rb2 V2 -","2","1","","Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0413","0.035","","0.0884","0.0841","","","","1.03","1.052","1.052","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000171","14.099","0.002","10.2138","0.0013","8.051","0.001","90","","90","","90","","1159.4","0.3","193","2","193","2","","","","","","","","5","I m a 2","I 2 -2a","46","","","","- H0 I3 N O13 V2 -","- I3 N O13 V2 -","- I12 N4 O52 V8 -","4","0.5","","Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0355","0.0353","","0.0823","0.0822","","","","1.167","1.17","1.17","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000172","14.1212","0.001","10.2392","0.0007","8.03","0.0006","90","","90","","90","","1161.06","0.14","193","2","193","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- I3 O13 Rb V2 -","- I3 O13 Rb V2 -","- I12 O52 Rb4 V8 -","4","0.5","","Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0443","0.0442","","0.1179","0.1179","","","","1.244","1.244","1.244","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000173","14.181","0.001","10.3178","0.0008","8.0756","0.0007","90","","90","","90","","1181.6","0.2","193","2","193","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- Cs I3 O13 V2 -","- Cs I3 O13 V2 -","- Cs4 I12 O52 V8 -","4","0.5","","Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E.","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0302","0.0302","","0.0851","0.0851","","","","1.313","1.314","1.314","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000174","4.1344","0.0011","4.1344","0.0011","15.887","0.006","90","","90","","120","","235.18","0.12","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ga4.4 Ge0.6 Ni2 Y0.59 -","- Ga4.39 Ge0.6 Ni2 Y0.59 -","- Ga8.78 Ge1.2 Ni4 Y1.18 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0.032","0.032","","","0.0826","0.0826","","","","","","1.221","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000175","4.1748","0.0007","4.1748","0.0007","16.007","0.004","90","","90","","120","","241.61","0.08","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ga4.56 Ge0.44 Ni2 Sm0.53 -","- Ga4.79 Ge0.2 Ni2 Sm0.533 -","- Ga9.58 Ge0.4 Ni4 Sm1.066 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0.032","0.0311","","","0.0721","0.0724","","","","","","1.164","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000176","4.1491","0.0004","4.1491","0.0004","15.877","0.002","90","","90","","120","","236.71","0.05","571","2","571","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ga4.4 Ge0.6 Ho0.66 Ni2 -","- Ga4.45 Ge0.54 Ho0.67 Ni2 -","- Ga8.9 Ge1.08 Ho1.34 Ni4 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0.0338","0.0332","","","0.0846","0.0849","","","","","","1.317","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000177","4.1415","0.0011","4.1415","0.0011","15.843","0.006","90","","90","","120","","235.33","0.12","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ga4.76 Ni2 Si0.24 Tb0.66 -","- Ga4.75 Ni2 Si0.24 Tb0.67 -","- Ga9.5 Ni4 Si0.48 Tb1.34 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0.0324","0.0292","","","0.0838","0.0849","","","","","","1.373","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000178","4.1976","0.0008","4.1976","0.0008","9.159","0.003","90","","90","","120","","139.76","0.05","571","2","571","2","","","","","","","","4","P -6 m 2","P -6 2","187","","","","- Ga5.94 Ni2 Si0.06 Sm0.67 -","- Ga5.934 Ni2 Si0.06 Sm0.67 -","- Ga5.934 Ni2 Si0.06 Sm0.67 -","1","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0.0234","0.0233","","","0.0497","0.0497","","","","","","1.093","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000179","4.1856","0.001","4.1856","0.001","9.167","0.003","90","","90","","120","","139.08","0.07","571","2","571","2","","","","","","","","4","P -6 m 2","P -6 2","187","","","","- Ga5 Gd0.67 Ge Ni2 -","- Ga5 Gd0.58 Ge0.99 Ni2 -","- Ga5 Gd0.58 Ge0.99 Ni2 -","1","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0.0274","0.0268","","","0.0647","0.0649","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000180","7.2536","0.0008","7.2536","0.0008","18.308","0.003","90","","90","","120","","834.23","0.19","571","2","571","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Dy0.62 Ga5.25 Ge Ni2 -","- Dy0.616667 Ga5.25 Ge Ni2 -","- Dy3.7 Ga31.5 Ge6 Ni12 -","6","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm020066o","","","0.71073","MoKα","","0","0.0487","","","0.1327","0.1389","","","","","","0.84","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000181","13.1394","0.0005","7.3202","0.0003","31.4435","0.0011","90","","95.027","0.001","90","","3012.7","0.2","295","0.2","295","0.2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- Na2 O9 Te W2 -","- Na2 O9 Te W2 -","- Na32 O144 Te16 W32 -","16","4","","","","Chemistry of Materials","2002","","","","","10.1021/cm020087i","","x-ray","0.71073","MoKα","","0.0339","0.0331","","","0.0986","0.0993","","","","","","0.931","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000182","16.7963","0.0006","16.7963","0.0006","22.1567","0.0008","90","0.001","90","0.001","90","0.001","6250.8","0.4","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Ca~13~EuMnSB~11~","","","- Ca12 Eu2 Mn Sb11 -","- Ca12.664 Eu1.336 Mn Sb11 -","- Ca101.312 Eu10.688 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0531","0.0408","","","0.1063","0.1102","","","","","","1.276","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000183","16.8685","0.0008","16.8685","0.0008","22.1974","0.001","90","0.001","90","0.001","90","0.001","6316.2","0.5","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Ca~11~Eu~3~MnSB~11~","","","- Ca11 Eu3 Mn Sb11 -","- Ca10.744 Eu3.256 Mn Sb11 -","- Ca85.952 Eu26.048 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0634","0.0509","","","0.1444","0.1501","","","","","","1.429","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000184","16.9297","0.0007","16.9297","0.0007","22.2492","0.0009","90","0.001","90","0.001","90","0.001","6377","0.5","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Ca~9~Eu~5~MnSB~11~","","","- Ca9 Eu5 Mn Sb11 -","- Ca9.384 Eu4.616 Mn Sb11 -","- Ca75.072 Eu36.928 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0592","0.0522","","","0.1413","0.1435","","","","","","2.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000185","17.014","0.0009","17.014","0.0009","22.2998","0.0012","90","","90","","90","","6455.3","0.6","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Ca~7~Eu~7~MnSB~11~","","","- Ca7 Eu7 Mn Sb11 -","- Ca7.18 Eu6.82 Mn Sb11 -","- Ca57.44 Eu54.56 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0338","0.0316","","","0.0755","0.0763","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000186","17.0832","0.0008","17.0832","0.0008","22.4131","0.001","90","0.001","90","0.001","90","0.001","6540.9","0.5","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","Ca~5~Eu~9~MnSB~11~","","","- Ca5 Eu9 Mn Sb11 -","- Ca5.346 Eu8.654 Mn Sb11 -","- Ca42.768 Eu69.232 Mn8 Sb88 -","8","0.25","","","","Chemistry of Materials","2002","","","","","10.1021/cm020065w","","","0.71073","MoKα","","0.0711","0.0413","","","0.0901","0.0992","","","","","","0.985","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000187","12.056","0.003","12.236","0.003","12.574","0.004","97.934","0.007","105.571","0.006","114.065","0.006","1565.6","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tungsten sulfide cluster with cyanide","octakis(mu!3$-sulfido)-hexakis(cyano) -hexa-tungsten pentakis(tetraethalammonium) salt","","- C46 H100 N11 S8 W6 -","- C46 H100 N11 S8 W6 -","- C46 H100 N11 S8 W6 -","1","0.5","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0451","0.0321","","0.0658","0.0624","","","","1.067","1.115","1.115","","","","","has coordinates,has disorder","134621","2020-10-21","18:00:00",""
"4000188","14.6782","0.0011","22.0639","0.0017","18.4989","0.0014","90","","94.618","0.002","90","","5971.6","0.8","165","2","165","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","linked tugsten sulfido cyanide cluster","tri manganese(II) octakis(mu!3$-sulfido)-hexakis(cyanide) -hexa-tungsten- 23.5(water)solvate","","- C6 H0 Mn3 N6 O35.5 S8 W6 -","- C6 Mn3 N6 O35.4 S8 W6 -","- C24 Mn12 N24 O141.6 S32 W24 -","4","0.5","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0548","0.0498","","","0.1279","0.129","","","","","","1.954","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000189","14.6008","0.0015","21.968","0.002","18.286","0.002","90","","94.94","0.006","90","","5843.6","1.1","165","2","165","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","linked tugsten sulfido cyanide cluster","tri iron(II) octakis(mu!3$-sulfido)-hexakis(cyanide) -hexa-tungsten- 24.6(water)solvate","","- C6 H0 Fe3 N6 O36.5 S8 W6 -","- C6 Fe3 N6 O36.62 S8 W6 -","- C24 Fe12 N24 O146.48 S32 W24 -","4","0.5","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.07","0.0459","","","0.0773","0.0819","","","","","","1.213","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000190","14.448","0.009","21.885","0.013","18.03","0.01","90","","94.879","0.01","90","","5680","6","438","2","438","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","linked tugsten sulfido cyanide cluster","tri cobalt(II) octakis(mu!3$-sulfido)-hexakis(cyanide) -hexa-tungsten- 23(water)solvate","","- C6 H70 Co3 N6 O35 S8 W6 -","- C6 Co3 N6 O35.13 S8 W6 -","- C24 Co12 N24 O140.52 S32 W24 -","4","0.5","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0829","0.0659","","","0.1126","0.1153","","","","","","1.688","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000191","15.693","0.002","16.914","0.003","11.0355","0.0016","90","","90","","90","","2929.2","0.8","173","2","173","2","","","","","","","","8","P n n m","-P 2 2n","58","linked tugsten sulfido cyanide cluster","bis potassium bis zinc(II) octakis(mu!3$-sulfido)-hexakis(cyanide) -hexa-tungsten- 30(water)solvate","","- C6 H60 K2 N6 O30 S8 W6 Zn2 -","- C6 K2 N6 O30.02 S8 W6 Zn2 -","- C12 K4 N12 O60.04 S16 W12 Zn4 -","2","0.25","","Jin, Song; DiSalvo, Francis J.","3-D Coordination Network Structures Constructed from [W6S8(CN)6]6- Anions","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.1064","0.0555","","","0.1057","0.1189","","","","","","1.207","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000192","11.93","0.002","16.03","0.003","11.5","0.002","90","","90","","90","","2199.2","0.3","100","1","100","1","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Bi4.6 Ca1.1 O10.5 V -","- Bi4.66375 Ca1.08625 O10.5 V -","- Bi37.31 Ca8.69 O84 V8 -","8","1","","Radosavljevic Evans, Ivana; Tao, Shanwen; Irvine, John T. S.; Howard, Judith A. K.","Synthesis, Crystal Structure, and Oxide Ion Conductivity in Bi~4.6~Ca~1.1~VO~10.5~","Chemistry of Materials","2002","14","9","3700","3704","10.1021/cm021158g","","","","","","","0.0767","","","","0.0911","","","","","","1.0236","","","","has coordinates","218974","2020-10-21","18:00:00",""
"4000193","6.431","0.004","10.274","0.005","10.439","0.003","80.56","0.04","89.53","0.02","87.94","0.04","680","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H13 F2 Fe3 N2 O12 P3 -","- C3 H13 F2 Fe3 N2 O12 P3 -","- C6 H26 F4 Fe6 N4 O24 P6 -","2","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm0212008","","","0.71073","MoKα","","0.0977","0.0634","","0.1809","0.1573","","","","0.965","1.072","1.072","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000194","9.022","0.0007","9.1864","0.0009","13.4912","0.0009","73.988","0.009","79.199","0.007","78.775","0.007","1043.55","0.15","228","2","228","2","","","","","","","","6","P -1","-P 1","2","","Gallium Phosphatooxalate","","- C16 H41 Ga6 N4 O41.5 P6 -","- C8 H20 Ga3 N2 O20.75 P3 -","- C16 H40 Ga6 N4 O41.5 P6 -","2","1","","Choi, C; Anokhina, E V; Taullelle, F; Zhao, Y; Lachgar, A","(C10H28N4)[Ga6(OH)2(PO4)2(HPO4)4(C2O4)3].3.5H2O Preparation, Crystal Structure, NMR Spectroscopy, and Thermal Stability of a Novel Gallium Phosphatooxalate with pendant Oxalate ligands","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0445","0.0301","","","0.061","0.0657","","","","","","1.026","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000195","21.513","0.005","8.65","0.002","15.707","0.003","90","","116.805","0.016","90","","2608.9","1","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cl14.23 K1.87 Nb6 O4.78 Ti2 -","- Cl14.22 K1.88 Nb6 O4.78 Ti2 -","- Cl56.88 K7.52 Nb24 O19.12 Ti8 -","4","0.5","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.127","0.0597","","","0.1048","0.1261","","","","","","0.986","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000196","21.503","0.003","8.8162","0.0011","15.71","0.002","90","","116.207","0.01","90","","2672.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cl14.36 Nb6 O4.64 Rb1.76 Ti2 -","- Cl14.366 Nb6 O4.634 Rb1.758 Ti2 -","- Cl57.464 Nb24 O18.536 Rb7.032 Ti8 -","4","0.5","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0753","0.0426","","","0.0793","0.0892","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000197","21.775","0.004","9.048","0.003","15.715","0.002","90","","116.097","0.013","90","","2780.4","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cl14 Cs2 Nb6 O5 Ti2 -","- Cl14.07 Cs1.84 Nb6 O4.93 Ti2 -","- Cl56.28 Cs7.36 Nb24 O19.72 Ti8 -","4","0.5","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.1375","0.0689","","","0.138","0.159","","","","","","0.956","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000198","18.5336","0.001","21.9145","0.0011","22.6935","0.0011","90","","91.208","0.001","90","","9215","0.8","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H42 Br10 O30 Zr5 -","- C57.99 H42 Br10.446 O30 Zr5 -","- C231.96 H168 Br41.784 O120 Zr20 -","4","1","","Guido Kickelbick; Dieter Holzinger; Chad Brick; Ellen Moons","Hybrid Inorganic-Organic Core-Shell Particles from Surface-Functionalized Titanium-, Zirconium and Vanadium Oxo Clusters (CM021216Y)","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.1173","0.095","","","0.239","0.2611","","","","","","1.034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000199","12.7781","0.0007","15.2375","0.0008","22.7764","0.0012","90","","104.784","0.001","90","","4287.9","0.4","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Br5 O17 Ti3 -","- C27.77 H28 Br4.226 O17 Ti3 -","- C111.08 H112 Br16.904 O68 Ti12 -","4","1","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.0739","0.0585","","","0.1658","0.1787","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000200","10.967","0.002","12.126","0.002","17.378","0.003","107.372","0.004","98.015","0.004","99.125","0.004","2134.5","0.7","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 Br6 O16 V3 -","- C21 H25 Br6 O16 V3 -","- C42 H50 Br12 O32 V6 -","2","1","","","","Chemistry of Materials","2002","","","","","","","","0.71073","MoKα","","0.2223","0.1204","","","0.3105","0.369","","","","","","1.104","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000201","18.7156","0.0012","11.5444","0.0008","8.1738","0.0005","90","","90.536","0.007","90","","1766","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[diaqua-(mu2-squarato-O,O')-(mu2-4,4`-bipyridine-N,N')-manganese(II)] trihyd","","- C14 H18 Mn N2 O9 -","- C14 H18 Mn N2 O9 -","- C56 H72 Mn4 N8 O36 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm021212t","","","0.71073","MoKα","","0.0458","0.0342","","","0.0851","0.0919","","","","","","1.027","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000202","3.7824","0.0005","3.7824","0.0005","19.244","0.004","90","","90","","90","","275.32","0.08","164","2","164","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Nickel Antimonide Telluride","","","- Ni5.66 Sb Te2 -","- Ni5.66 Sb Te2 -","- Ni11.32 Sb2 Te4 -","2","0.0625","","Reynolds, Thomas K.; Bales, Joshua G.; DiSalvo, Francis J.","Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni~7-δ~SbX~2~ (δ ≈ 1.3; X = Se or Te)","Chemistry of Materials","2002","14","11","4746","4751","10.1021/cm020585r","","","0.71073","MoKα","","0.0229","0.0225","","","0.0537","0.0541","","","","","","1.052","","","","has coordinates","178245","2020-10-21","18:00:00",""
"4000203","3.7021","0.0005","3.7021","0.0005","18.593","0.003","90","","90","","90","","254.83","0.07","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","Nickel Antimonide Selenide","","","- Ni5.72 Sb Se2 -","- Ni5.72 Sb Se2 -","- Ni11.44 Sb2 Se4 -","2","0.0625","","","","Chemistry of Materials","2002","","","","","10.1021/cm020585r","","","0.71073","MoKα","","0.0533","0.0533","","","0.1229","0.1229","","","","","","1.202","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000204","9.4277","0.0004","9.4277","0.0004","6.2316","0.0003","90","","90","","120","","479.67","0.04","295","2","295","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","cerium titanium antimonide","cerium titanium antimonide","","- Ce3 Sb5 Ti -","- Ce3 Sb5 Ti -","- Ce6 Sb10 Ti2 -","2","0.0833333","","Moore, S. H. Devon; Deakin, L.; Ferguson, M. J.; Mar, Arthur","Physical Properties and Bonding in RE~3~TiSb~5~(RE = La, Ce, Pr, Nd, Sm)","Chemistry of Materials","2002","","","","","10.1021/cm020731t","","","0.71073","MoKα","","0.0525","0.0388","","","0.0732","0.0772","","","","","","1.24","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000205","9.3835","0.0002","9.3835","0.0002","6.2156","0.0002","90","","90","","120","","473.96","0.02","295","2","295","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","praseodymium titanium antimonide","praseodymium titanium antimonide","","- Pr3 Sb5 Ti -","- Pr3 Sb5 Ti -","- Pr6 Sb10 Ti2 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020731t","","","0.71073","MoKα","","0.0202","0.0201","","","0.0422","0.0423","","","","","","1.513","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000206","9.3517","0.0003","9.3517","0.0003","6.1976","0.0002","90","","90","","120","","469.39","0.03","295","2","295","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","neodymium titanium antimonide","neodymium titanium antimonide","","- Nd3 Sb5 Ti -","- Nd3 Sb5 Ti -","- Nd6 Sb10 Ti2 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020731t","","","0.71073","MoKα","","0.0237","0.0233","","","0.0571","0.0573","","","","","","1.365","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000207","9.2758","0.0003","9.2758","0.0003","6.1581","0.0002","90","","90","","120","","458.86","0.03","295","2","295","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","samarium titanium antimonide","samarium titanium antimonide","","- Sb5 Sm3 Ti -","- Sb5 Sm3 Ti -","- Sb10 Sm6 Ti2 -","2","0.0833333","","","","Chemistry of Materials","2002","","","","","10.1021/cm020731t","","","0.71073","MoKα","","0.0461","0.0416","","","0.0742","0.0751","","","","","","1.392","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000208","13.23","0.004","13.35","0.003","14.904","0.005","77.02","0.02","78.99","0.03","80.47","0.02","2497.1","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cd F12 O7 -","- C16 H16 Cd F12 O7 -","- C64 H64 Cd4 F48 O28 -","4","2","","","Synthesis and Characterization of Liquid MOCVD Precursors for Thin Films of Cadmium oxide.","Chemistry of Materials","2002","","","","","10.1021/cm021183m","","","0.71069","MoKα","","0.0921","0.0673","","","0.1962","0.2182","","","","","","1.044","","","","has coordinates","178377","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",""
"4000210","8.405","0.001","8.405","0.001","20.771","0.004","90","","90","","120","","1270.8","0.3","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- B6 Gd H3 O12 -","- B6 Gd O12 -","- B36 Gd6 O72 -","6","0.333333","","Li, Linyan; Lu, Peichao; Wang, Yaoyang; Jin, Xianglin; Li, Guobao; Wang, Yingxia; You, Liping; Lin, Jianhua","Synthesis of Rare Earth Polyborates Using Molten Boric Acid as a Flux","Chemistry of Materials","2002","14","12","4963","4968","10.1021/cm0203870","","","0.71073","MoKα","","0.0272","0.026","","","0.0617","0.0623","","","","","","1.031","","","","has coordinates","218972","2020-10-21","18:00:00",""
"4000211","8.23813","0.00006","8.23813","","33.6377","0.0004","90","","90","","90","","2282.88","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- B5 Gd O9 -","- B96 Gd32 O192 -","- B96 Gd32 O192 -","","","","Li, Linyan; Lu, Peichao; Wang, Yaoyang; Jin, Xianglin; Li, Guobao; Wang, Yingxia; You, Liping; Lin, Jianhua","Synthesis of Rare Earth Polyborates Using Molten Boric Acid as a Flux","Chemistry of Materials","2002","14","12","4963","4968","10.1021/cm0203870","powder diffraction","","","","","","","","","","","","","1.94","","","","","","","has coordinates","218972","2020-10-21","18:00:00",""
"4000212","4.121","0.004","8.376","0.004","26.321","0.01","90","","90","","90","","908.5","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 Cu I N O -","- C7 H7 Cu I N O -","- C28 H28 Cu4 I4 N4 O4 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm020640w","","","0.71073","MoKα","","0.0395","0.0362","","","0.0902","0.0926","","","","","","1.064","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000213","12.374","0.001","4.251","0.004","15.081","0.001","90","","106.67","0.01","90","","759.9","0.7","193","2","193","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H14 Cu I N2 O2 -","- C14 H14 Cu I N2 O2 -","- C28 H28 Cu2 I2 N4 O4 -","2","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm020640w","","","0.71073","MoKα","","0.028","0.0192","","","0.0387","0.0394","","","","","","0.769","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000214","14.7676","0.0003","7.6585","0.0002","11.6807","0.0002","90","","104.837","0.0016","90","","1277","","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H7 N O5.5 S U0.5 -","- C4 H14 N2 O11 S2 U -","- C16 H56 N8 O44 S8 U4 -","4","0.5","","","","Chemistry of Materials","2002","","","","","10.1021/cm020793j","","","0.71073","MoKα","","","0.0154","","","","0.0328","","","","","","0.9048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000215","8.648","0.0001","7.7135","0.0001","21.2554","0.0003","90","","90.7254","0.0009","90","","1417.8","","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 N2 O11 S2 U -","- C6 H16 N2 O11 S2 U -","- C24 H64 N8 O44 S8 U4 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm020793j","","","0.71073","MoKα","","","0.0337","","","","0.0566","","","","","","0.8324","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000216","10.7537","0.0002","11.4297","0.0002","11.5797","0.0002","87.998","0.001","79.66","0.001","80.6313","0.0006","1381.5","","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H16 N2 O11 S2 U -","- C5 H16 N2 O11 S2 U -","- C20 H64 N8 O44 S8 U4 -","4","2","","","","Chemistry of Materials","2002","","","","","10.1021/cm020793j","","","0.71073","MoKα","","","0.0238","","","","0.056","","","","","","0.7966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000217","12.2161","0.0009","16.5452","0.0013","10.525","0.0008","90","","115.531","0.001","90","","1919.6","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H15 Cr N3 O5 -","- C4 H15 Cr N3 O5 -","- C32 H120 Cr8 N24 O40 -","8","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020721s","","","0.71073","MoKα","","0.0413","0.0308","","","0.0781","0.0839","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000218","9.105","0.013","18.796","0.025","13.531","0.017","90","","104.86","0.01","90","","2238","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Eu N3 O13 -","- C18 H20 Eu N3 O13 -","- C72 H80 Eu4 N12 O52 -","4","1","","P. C. R. Soares-Santos; H.I.S. Nogueira; V. Felix; M.G.B. Drew; R. A. S Ferreira; L. D. Carlos; T. Trindade","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0483","0.0348","","","0.0906","0.0978","","","","","","1.08","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000219","4.9387","0.0012","12.06","0.003","8.1856","0.0019","90","","92.045","0.004","90","","487.2","0.2","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H4 Al2 F2 O8.51 P2 -","- C2 H4 Al2 F2 O8.51 P2 -","- C4 H8 Al4 F4 O17.02 P4 -","2","0.5","","","","Chemistry of Materials","2003","","","","","","","","0.6931","synchrotron","","0.1227","0.0886","","","0.2161","0.2352","","","","","","0.994","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000220","16.808","0.003","16.08","0.003","17.714","0.003","90","","103.243","0.003","90","","4660.2","1.3","168","2","168","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 Mg2 O9 -","- C44 H60 Mg2 O8 -","- C176 H240 Mg8 O32 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020802o","","","0.71073","MoKα","","0.2347","0.1026","","","0.2867","0.3534","","","","","","0.931","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000221","23.625","0.005","11.892","0.002","16.51","0.003","90","","130.09","0.03","90","","3548.3","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 Cl4 Fe2 N16 O20 -","- C60 H68 Cl4 Fe2 N16 O20 -","- C120 H136 Cl8 Fe4 N32 O40 -","2","0.25","","Galina S. Matouzenko; Nicolas Br‚fuel; Monique Perrin; Azzedine Bousseksou; Serguei A. Borshch","Spin Crossover Iron(II) Coordination Polymer With Zigzag Chain Structure","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0942","0.0613","","","0.1641","0.1908","","","","","","0.95","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000222","23.188","0.005","11.559","0.002","16.256","0.003","90","","130.35","0.03","90","","3320.7","1.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cl2 Fe N8 O10 -","- C30 H34 Cl2 Fe N8 O10 -","- C120 H136 Cl8 Fe4 N32 O40 -","4","0.5","","Galina S. Matouzenko; Nicolas Br‚fuel; Monique Perrin; Azzedine Bousseksou; Serguei A. Borshch","Spin Crossover Iron(II) Coordination Polymer With Zigzag Chain Structure","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0793","0.0601","","","0.1564","0.1698","","","","","","1.039","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000223","11.4191","0.0005","12.0525","0.0006","18.1847","0.0008","90.704","0.001","92.635","0.001","91.389","0.001","2499.1","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H37.58 F4 Ge14.8 N6 O35.33 -","- C11.987 H37.5816 F4 Ge14.7908 N6.003 O35.3316 -","- C23.974 H75.1632 F8 Ge29.5816 N12.006 O70.6632 -","2","1","","Plevert, Jacques; Gentz, Travis M.; Groy, Thomas L.; O'Keeffe, Michael; Yaghi, Omar M.","Layered structures constructed from new linkages of Ge7(O,OH,F)19 clusters","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0473","0.0368","","","0.083","0.0863","","","","","","0.952","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000224","16.318","0.0005","16.6125","0.0004","17.8898","0.0006","90","","99.6837","0.0018","90","","4780.5","0.3","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H21 F3 Ge7 N3 O16 -","- C60 F24 Ge56 N24 O120 -","- C60 F24 Ge56 N24 O120 -","","","","Plevert, Jacques; Gentz, Travis M.; Groy, Thomas L.; O'Keeffe, Michael; Yaghi, Omar M.","Layered structures constructed from new linkages of Ge7(O,OH,F)19 clusters","Chemistry of Materials","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","190780","2020-10-21","18:00:00",""
"4000225","15.9525","0.0011","17.5476","0.0012","19.0027","0.0013","90","","109.446","0.001","90","","5015.9","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H21 F3 Ge7 N3 O16 -","- C9 H21 F3 Ge7 N3 O16 -","- C72 H168 F24 Ge56 N24 O128 -","8","1","","Plevert, Jacques; Gentz, Travis M.; Groy, Thomas L.; O'Keeffe, Michael; Yaghi, Omar M.","Layered structures constructed from new linkages of Ge7(O,OH,F)19 clusters","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.05","0.0412","","","0.1","0.1045","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000226","6.8452","0.0016","9.798","0.002","7.697","0.0018","90","","106.966","0.004","90","","493.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","zinc borate","","","- B12 H12 O28 Zn4 -","- B3 H3 O7 Zn -","- B12 H12 O28 Zn4 -","4","1","","Schubert, David M.; Alam, Fazlul; Visi, Mandana Z.; Knobler, Carolyn B.","","Chemistry of Materials","2003","","","","","10.1021/cm020791z","","","0.71073","MoKα","","0.034","0.0226","","","0.0504","0.0528","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000228","6.4111","0.0006","9.5223","0.0008","13.1307","0.0012","90","","90","","90","","801.61","0.12","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H10 F3 Fe N2 O4 S -","- C2 H10 F3 Fe N2 O4 S -","- C8 H40 F12 Fe4 N8 O16 S4 -","4","1","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0349","0.0315","","0.0825","0.0806","","","","1.054","1.078","1.078","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000229","11.0508","0.0009","16.014","0.0013","7.1023","0.0005","90","","99.471","0.002","90","","1239.7","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C H6 F0.5 Fe0.5 N3 O4 S -","- C H6 F0.5 Fe0.5 N3 O4 S -","- C8 H48 F4 Fe4 N24 O32 S8 -","8","1","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.037","0.0284","","0.0727","0.0689","","","","1.098","1.133","1.133","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000230","8.5","0.006","7.305","0.006","19.846","0.017","90","","96.49","0.04","90","","1224.5","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 F Fe N3 O8 S2 -","- C4 H16 F Fe N3 O8 S2 -","- C16 H64 F4 Fe4 N12 O32 S8 -","4","1","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.1469","0.0571","","0.1474","0.114","","","","0.913","1.112","1.112","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000231","7.3521","0.0006","8.5698","0.0006","8.5925","0.0006","70.784","0.001","73.569","0.002","69.889","0.002","471.17","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 F3 Fe N2 O4 S -","- C4 H12 F3 Fe N2 O4 S -","- C8 H24 F6 Fe2 N4 O8 S2 -","2","1","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0346","0.0315","","0.0828","0.0814","","","","1.009","1.066","1.066","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000232","5.0904","0.0006","7.3687","0.0009","9.1698","0.0011","72.388","0.002","85.257","0.002","71.025","0.002","309.97","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C H7 F Fe N O5 S -","- C H7 F Fe N O5 S -","- C2 H14 F2 Fe2 N2 O10 S2 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020772p","","","0.71073","MoKα","","0.0516","0.0508","","0.1243","0.1236","","","","1.072","1.11","1.11","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000233","12.801","0.002","9.3375","0.0014","6.5081","0.001","90","","90","","90","","777.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 Cr F3 N2 O3 P -","- C2 H11 Cr F3 N2 O3 P -","- C8 H44 Cr4 F12 N8 O12 P4 -","4","1","","Fernández, Sergio; Mesa, José L.; Pizarro, José L.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo","Hydrothermal Synthesis, Crystal Structures, Spectroscopic, and Magnetic Properties of Two New Organically Templated Monodimensional Phosphite Compounds: (C2H10N2)[M(HPO3)F3], M = V(III) and Cr(III)}","Chemistry of Materials","2003","15","5","1204","1209","10.1021/cm021361b","","","0.71073","mokα","","0.0885","0.0566","","","0.117","0.1274","","","","","","0.879","","","","has coordinates","270059","2021-10-23","02:40:01",""
"4000234","12.809","0.002","9.518","0.0014","6.4403","0.0013","90","","90","","90","","785.2","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 F3 N2 O3 P V -","- C2 H11 F3 N2 O3 P V -","- C8 H44 F12 N8 O12 P4 V4 -","4","1","","Fernández, Sergio; Mesa, José L.; Pizarro, José L.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo","Hydrothermal Synthesis, Crystal Structures, Spectroscopic, and Magnetic Properties of Two New Organically Templated Monodimensional Phosphite Compounds: (C2H10N2)[M(HPO3)F3], M = V(III) and Cr(III)}","Chemistry of Materials","2003","15","5","1204","1209","10.1021/cm021361b","","x-ray","0.71073","MoKα","","0.1695","0.0603","","","0.1064","0.1262","","","","","","0.856","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000235","3.959","0.006","12.415","0.003","25.469","0.004","90","","90","","90","","1251","1","296.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H4 I1.27 S4 Se2 -","- C7 H4 I1.26 S4 Se2 -","- C28 H16 I5.04 S16 Se8 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm025758r","","","0.7107","MoKα","","","0.0355","","","","0.0336","","","","","","1.576","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000236","3.9645","0.0009","12.421","0.002","25.463","0.005","90","","90","","90","","1253","1","298.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H4 I1.22 S4 Se2 -","- C7 H4 I1.22 S4 Se2 -","- C28 H16 I4.88 S16 Se8 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm025758r","","","0.7107","MoKα","","","0.0377","","","","0.0455","","","","","","1.814","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000237","3.962","0.002","12.422","0.003","25.47","0.006","90","","90","","90","","1253","1","298.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H4 I1.23 S4 Se2 -","- C7 H4 I1.24 S4 Se2 -","- C28 H16 I4.96 S16 Se8 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm025758r","","","0.7107","MoKα","","","0.0323","","","","0.029","","","","","","1.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000238","4.671","0.0006","4.671","0.0006","12.195","0.0011","90","","90","","90","","266.07","0.05","298","","298","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Ce2 In8 Ir -","- Ce2 In8 Ir -","- Ce2 In8 Ir -","1","0.0625","","","","Chemistry of Materials","2003","","","","","10.1021/cm021063e","","","0.71073","MoKα","","0.047","0.042","","","0.105","0.108","","","","","","1.111","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000239","4.667","0.001","4.667","0.001","12.247","0.004","90","","90","","90","","266.75","0.12","298","","298","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Ce2 In8 Rh -","- Ce2 In8 Rh -","- Ce2 In8 Rh -","1","0.0625","","","","Chemistry of Materials","2003","","","","","10.1021/cm021063e","","","0.71073","MoKα","","0.042","0.035","","","0.0925","0.1012","","","","","","1.078","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000240","4.706","0.0001","4.706","0.0001","12.312","0.0004","90","","90","","90","","272.667","0.012","293","2","297","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- In8 Ir La2 -","- In8 Ir La2 -","- In8 Ir La2 -","1","0.0625","","","","Chemistry of Materials","2003","","","","","10.1021/cm021063e","","","0.71073","MoKα","","0.0548","0.0544","","","0.1419","0.1422","","","","","","1.086","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000241","4.698","0.0002","4.698","0.0002","12.344","0.0004","90","","90","","90","","272.447","0.019","293","2","297","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- In8 La2 Rh -","- In8 La2 Rh -","- In8 La2 Rh -","1","0.0625","","","","Chemistry of Materials","2003","","","","","10.1021/cm021063e","","","0.71073","MoKα","","0.0705","0.0586","","","0.1513","0.1634","","","","","","1.044","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000242","7.6583","0.0009","14.7934","0.0018","7.7554","0.0009","90","","90","","90","","878.63","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge2.5 Si1.5 -","- Gd5 Ge2.406 Si1.59 -","- Gd20 Ge9.624 Si6.36 -","4","0.5","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0552","0.0392","","","0.0981","0.1066","","","","","","0.721","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000243","7.517","0.003","14.8","0.005","7.79","0.003","90","","90","","90","","866.6","0.5","163","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge2.5 Si1.5 -","- Gd5 Ge2.429 Si1.57 -","- Gd20 Ge9.716 Si6.28 -","4","0.5","","Choe, Wonyoung; Miller, Gordon J.; Meyers, John; Chumbley, Scott; Pecharsky, A. O.","""Nanoscale Zippers"" in the Crystalline Solid: Structural Variations in the Magnetocaloric Material Gd5(Si1.5Ge2.5)","Chemistry of Materials","2003","","","","","10.1021/cm020928l","","","0.71073","MoKα","","0.047","0.0403","","","0.0944","0.0971","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000244","13.5263","0.0011","13.6606","0.0012","22.886","0.002","79.649","0.002","82.653","0.002","76.305","0.002","4025.7","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C80 H50 I16 -","- C80 H50 I16 -","- C160 H100 I32 -","2","1","","Stephen Lee; Banglin Chen; Daniel C. Fredrickson; Francis J. DiSalvo; Emil Lobkovsky; Judith A. Adams","","Chemistry of Materials","2003","","","","","10.1021/cm020651p","","","0.71073","MoKα","","0.0704","0.038","","","0.0698","0.0796","","","","","","0.96","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000245","10.845","0.002","12.758","0.002","17.66","0.003","107.217","0.006","95.966","0.006","94.088","0.006","2307.9","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 I11.5 S6 -","- C30 H27 I11.5 S6 -","- C60 H54 I23 S12 -","2","1","","Stephen Lee; Banglin Chen; Daniel C. Fredrickson; Francis J. DiSalvo; Emil Lobkovsky; Judith A. Adams","","Chemistry of Materials","2003","","","","","10.1021/cm020651p","","","0.71073","MoKα","","0.0925","0.0595","","","0.1308","0.1431","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000246","6.9288","0.0003","8.1174","0.0004","14.8505","0.0009","90","","91.7173","0.0019","90","","834.9","","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C3 H9 F N O5 P U -","- C3 H9 F N O5 P U -","- C12 H36 F4 N4 O20 P4 U4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021711u","","","0.71073","MoKα","","","0.0396","","","","0.0924","","","","","","0.9392","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000247","10.0682","0.0004","8.9121","0.0003","12.9631","0.0007","90","","90.4901","0.0015","90","","1163.1","","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H13 N O8 P2 U -","- C4 H13 N O8 P2 U -","- C16 H52 N4 O32 P8 U4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021711u","","","0.71073","MoKα","","","0.0254","","","","0.056","","","","","","0.8658","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000248","6.7796","0.0001","17.2821","0.0004","24.6754","0.0006","90","","90","","90","","2891.1","","150","","150","","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C16 H24 F4 N2 O15 P2 U3 -","- C16 H24 F4 N2 O15 P2 U3 -","- C64 H96 F16 N8 O60 P8 U12 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm021711u","","","0.71073","MoKα","","","0.0252","","","","0.0589","","","","","","0.9126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000249","11.4732","0.0002","14.9097","0.0002","15.448","0.0003","64.2307","0.0006","70.2105","0.0007","84.136","0.001","2236.1","","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 N2 O17 P4 U2.5 -","- C32 H23 N2 O17 P4 U2.5 -","- C64 H46 N4 O34 P8 U5 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021711u","","","0.71073","MoKα","","","0.0368","","","","0.0881","","","","","","0.7593","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000250","5.4767","0.0006","8.8106","0.0009","9.5219","0.001","104.564","0.002","95.44","0.002","99.349","0.002","434.34","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H6 Cl O2 P Sn -","- C6 H6 Cl O2 P Sn -","- C12 H12 Cl2 O4 P2 Sn2 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.038","0.0369","","","0.0987","0.1002","","","","","","0.893","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000251","4.7275","0.0017","6.152","0.002","13.632","0.005","81.299","0.007","89.052","0.007","89.781","0.007","391.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C H3 Cl2 O3 P Sn2 -","- C H3 Cl2 O3 P Sn2 -","- C2 H6 Cl4 O6 P2 Sn4 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.1209","0.0877","","","0.2233","0.2444","","","","","","1.054","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000252","4.814","0.004","8.53","0.004","15.214","0.008","90","","99.09","0.1","90","","616.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Cl O6 P2 Sn2 -","- C1.33333 H3.33333 Cl0.333333 O2 P0.666667 Sn0.666667 -","- C8 H20 Cl2 O12 P4 Sn4 -","6","1.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.076","0.0484","","","0.1207","0.1543","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000253","4.6415","0.0013","18.695","0.005","6.4964","0.0018","90","","99.907","0.004","90","","555.3","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 H5 O3 P Sn -","- C2 H5 O3 P Sn -","- C8 H20 O12 P4 Sn4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.0711","0.0703","","","0.1818","0.183","","","","","","1.102","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000254","4.5998","0.0007","15.43","0.002","6.5861","0.001","90","","100.719","0.003","90","","459.3","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C0.67 H2 O2 P0.67 Sn0.67 -","- C0.666667 H2 O2 P0.666667 Sn0.666667 -","- C4 H12 O12 P4 Sn4 -","6","1.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.0565","0.0541","","","0.15","0.1511","","","","","","1.263","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000255","4.6435","0.0006","13.4512","0.0016","6.4767","0.0008","90","","100.258","0.002","90","","398.07","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 O6 P2 Sn2 -","- C1.33333 H2.66667 O4 P1.33333 Sn1.33333 -","- C4 H8 O12 P4 Sn4 -","3","0.75","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.0448","0.0434","","","0.1087","0.11","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000256","5.49","0.002","4.89","0.002","21.884","0.009","90","","90.505","0.007","90","","587.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H3 O5 P Sn -","- C1.6 H1.6 O4 P0.8 Sn0.8 -","- C8 H8 O20 P4 Sn4 -","5","1.25","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.0357","0.0298","","","0.0703","0.0723","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000257","10.3417","0.001","10.0475","0.001","16.9927","0.0017","90","","90","","90","","1765.7","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H10 N2 O6 P2 Sn -","- C0.888889 H1.77778 N1.77778 O5.33333 P1.77778 Sn0.888889 -","- C8 H16 N16 O48 P16 Sn8 -","9","1.125","","","","Chemistry of Materials","2003","","","","","10.1021/cm020650x","","","0.71073","MoKα","","0.031","0.0268","","","0.0714","0.0734","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000258","9.527","0.004","10.043","0.004","16.308","0.006","77.15","0.007","79.58","0.007","71.981","0.007","1435.9","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 Si -","- C40 H30 Si -","- C80 H60 Si2 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021715z","","","0.71073","MoKα","","0.1002","0.0639","","","0.1048","0.115","","","","","","0.952","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000259","18.5005","0.001","7.5768","0.0004","21.7704","0.0012","90","","114.243","0.001","90","","2782.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Si -","- C36 H26 Si -","- C144 H104 Si4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021715z","","","0.71073","MoKα","","0.0695","0.0554","","","0.1303","0.1381","","","","","","1.066","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000260","10.792","0.002","30.856","0.007","11.13","0.003","90","","119","","90","","3241.5","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 Si -","- C44 H30 Si -","- C176 H120 Si4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021715z","","","0.71073","MoKα","","0.066","0.0483","","","0.1128","0.1185","","","","","","0.983","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000261","10.9576","0.0012","10.9576","0.0012","9.8516","0.0013","90","","90","","90","","1182.87","0.2","293","","293","","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Cl4 Cu Hg3 N6 -","- C10 H16 Cl4 Cu Hg3 N6 -","- C20 H32 Cl8 Cu2 Hg6 N12 -","2","0.25","","Draper, Neil D.; Batchelor, Raymond J.; Sih, Bryan C.; Ye, Zuo-Guang; Leznoff, Daniel","(N,N,N',N'-tetramethylethylenediamine)bis-(dicyanomercury)copper(II) tetrachloromercurate(II)","Chemistry of Materials","2003","","","","","10.1021/cm021716r","","","0.7093","MolybdenumKα","","","0.022","","","0.024","","","","","1.07","1.07","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000262","8.854896","0.000026","8.854897","","22.14417","0.00012","90","","90","","120","","1503.69","0.01","423","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","lithium dizirconium triphosphate","","- Li O12 P3 Zr2 -","- Li0.9999 O12 P3 Zr2 -","- Li5.9994 O72 P18 Zr12 -","6","0.166667","","Catti, M.; Comotti, A.; Di Blas, S.","High-Temperature Lithium Mobility in alpha-LiZr~2~(PO~4)~3 NASICON by Neutron Diffraction","Chemistry of Materials","2003","","","","","","powder diffraction","","","","","","","","","","","","","2.9","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000263","8.844483","0.000027","8.844483","","22.28754","0.00013","90","","90","","120","","1509.86","0.008","673","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","lithium dizirconium triphosphate","","- Li O12 P3 Zr2 -","- Li0.99993 O12 P3 Zr2 -","- Li5.99958 O72 P18 Zr12 -","6","0.166667","","","","Chemistry of Materials","2003","","","","","","powder diffraction","","","","","","","","","","","","","1.7","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000264","9.6367","0.0007","10.176","0.0007","12.6164","0.0009","86.302","0.001","68.88","0.001","61.8","0.001","1008.66","0.12","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Fe3 N3 O20 P3 -","- C8 H10 Fe3 N3 O20 P3 -","- C16 H20 Fe6 N6 O40 P6 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021701t","","","0.71073","MoKα","","0.0494","0.0397","","","0.0934","0.0977","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000265","7.0089","0.0014","5.9412","0.0012","8.3339","0.0017","90","","90","","90","","347.03","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lead iron oxyborate","lead iron boron tetraoxide","","- B Fe O4 Pb -","- B Fe O4 Pb -","- B4 Fe4 O16 Pb4 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm0217452","","","0.71073","MoKα","","0.0326","0.0263","","","0.0603","0.0617","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000266","6.7062","0.0009","5.9429","0.0008","8.6418","0.0011","90","","90","","90","","344.41","0.08","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lead manganese oxyborate","lead manganese boron tetraoxide","","- B Mn O4 Pb -","- B Mn O4 Pb -","- B4 Mn4 O16 Pb4 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm0217452","","","0.71073","MoKα","","0.0229","0.0222","","","0.0532","0.0536","","","","","","1.21","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000267","8.611","0.001","9.096","0.001","11.371","0.001","104.811","0.001","111.368","0.001","94.248","0.001","787.91","0.14","293","","","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H14 Al2 N2 O14.4154 P3 -","- C4 H14 Al2 N2 O14.416 P3 -","- C8 H28 Al4 N4 O28.832 P6 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021343u","","","0.71073","MoKα","","","0.041","","","","0.039","","","","","","0.701","","","","has coordinates","206172","2020-10-21","18:00:00",""
"4000268","14.932","0.003","8.976","0.003","10.1","0.004","90","","127.96","0.03","90","","1067.3","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","","","Chemistry of Materials","2003","","","","","","","","0.7093","MoKα","","0.047","0.0434","","","0.1147","0.1176","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000269","19.176","0.002","5.537","0.004","25.025","0.002","90","","108.77","0.01","90","","2515.8","1.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C104 H112 N16 O32 -","8","2","","","","Chemistry of Materials","2003","","","","","","","","0.7093","MoKα","","0.0613","0.04","","","0.0981","0.1056","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000270","6.465","0.001","15.571","0.003","10.656","0.002","90","","90.24","0.03","90","","1072.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B5 Ce H7 N O15 -","- B5 Ce N O15 -","- B20 Ce4 N4 O60 -","4","1","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","","","0.71073","MoKα","","0.0635","0.0557","","","0.1282","0.131","","","","","","1.038","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000271","9.871","0.002","16.696","0.003","7.716","0.002","90","","90.12","0.03","90","","1271.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B9 H6 Nd O18 -","- B9 Nd O18 -","- B36 Nd4 O72 -","4","1","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","","","0.71073","MoKα","","0.0313","0.0235","","","0.0563","0.0579","","","","","","0.846","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000272","6.4418","0.00014","11.68883","0.00026","8.17062","0.00018","90","","105.167","0.0008","90","","593.79","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B5 La O9 -","- B20 La4 O36 -","- B20 La4 O36 -","","","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","powder diffraction","","","","","","","","","","","","","2.31","","","","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000273","9.86","0.002","14.131","0.003","7.94","0.002","90","","89.79","0.03","90","","1106.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B8 H5 O16 Pr -","- B8 O16 Pr -","- B32 O64 Pr4 -","4","1","","Li, Linyan; Jin, Xianglin; Li, Guobao; Wang, Yingxia; Liao, Fuhui; Yao, Guangqin; Lin, Jianhua","Novel Rare Earth Polyborates. 2. Syntheses and Structures","Chemistry of Materials","2003","15","11","2253","2260","10.1021/cm030004d","","","0.71073","MoKα","","0.0498","0.0412","","","0.1099","0.1134","","","","","","1.051","","","","has coordinates","218973","2020-10-21","18:00:00",""
"4000274","17.4585","0.0003","9.9702","0.0001","12.2534","0.0002","90","","90","","90","","2132.88","0.05","150","1","150","1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H16 F12 N2 O6 Ru -","- C12 H16 F12 N2 O6 Ru -","- C48 H64 F48 N8 O24 Ru4 -","4","0.5","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0655","0.0354","","","0.0817","0.108","","","","","","1.153","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000275","17.8909","0.0004","10.0354","0.0002","11.5944","0.0003","90","","108.441","0.0004","90","","1974.79","0.08","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 F12 N2 O2 Ru -","- C16 H20 F12 N2 O2 Ru -","- C64 H80 F48 N8 O8 Ru4 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm030029c","","","0.71073","MoKα","","0.023","0.0209","","","0.0552","0.0558","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000276","8.5851","0.0001","19.8223","0.0002","32.9218","0.0003","90","","90","","90","","5602.51","0.1","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H34 F12 N2 O3 Ru -","- C23 H34 F12 N2 O3 Ru -","- C184 H272 F96 N16 O24 Ru8 -","8","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm030029c","","","0.71073","MoKα","","0.0758","0.0395","","","0.0849","0.1085","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000277","14.3753","0.0009","11.941","0.0007","10.176","0.0006","90.037","0.005","91.102","0.005","89.954","0.005","1746.4","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H0 F Ga5 N2 O18 P4 -","- C2 F Ga5 N2.001 O18 P4 -","- C8 F4 Ga20 N8.004 O72 P16 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021370k","","","0.71073","MoKα","","0.1014","0.0446","","0.1692","0.1255","","","","0.895","0.967","0.967","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000278","13.702","0.001","16.163","0.002","13.893","0.001","90","","90.39","0.01","90","","3076.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 O6 W -","- C36 H30 O6 W -","- C144 H120 O24 W4 -","4","1","","Cross, Warren B.; Parkin, Ivan P.; O'Neill, Shane A.; Williams, Paul A.; Mahon, Mary F.; Molloy, Kieran C.","Tungsten Oxide Coatings from the Aerosol-Assisted Chemical Vapor Deposition of W(OAr)6 (Ar = C6H5, C6H4F-4, C6H3F2-3,4); Photocatalytically Active γ-WO3 Films","Chemistry of Materials","2003","15","14","2786","2796","10.1021/cm020390j","","","0.71069","","","0.0889","0.0392","","0.1254","0.0952","","","","1.014","0.989","0.989","","","","","has coordinates","275258","2022-05-09","03:14:07",""
"4000279","9.7834","0.0003","11.3596","0.0004","15.474","0.0006","80.3011","0.0013","81.2087","0.0013","76.342","0.002","1635.68","0.1","","","298","","","","","","","","","4","P -1","-P 1","2","","5-(4-[N-tert-butyl-N-aminoxyl]phenyl)-1,3-benzenedicarboxylic acid","","- C18 H18 N O5 -","- C72 H72 N4 O20 -","- C72 H72 N4 O20 -","","","","","","Chemistry of Materials","2003","","","","","10.1021/cm034225v","","","0.71073","MoKα","","0.1671","0.0796","","","0.184","0.2353","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000280","16.4458","0.0003","6.7793","0.0001","29.6942","0.0006","90","","90","","90","","3310.64","0.1","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","5-(4-[N-tert-butyl-N-aminoxyl]phenyl)-1,3-benzenedicarboxylic acid","","- C18 H18 N O5 -","- C18 H18 N O5 -","- C144 H144 N8 O40 -","8","1","","","LF336","Chemistry of Materials","2003","","","","","10.1021/cm034225v","","","0.71073","MoKα","","0.1078","0.0637","","","0.1525","0.1761","","","","","","1.081","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000281","17.568","0.003","4.1924","0.0007","18.499","0.003","90","","90.383","0.003","90","","1362.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Bi8.01 K Rb Se13 -","- Bi8.004 K1.042 Rb Se13 -","- Bi16.008 K2.084 Rb2 Se26 -","2","0.5","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0819","0.0391","","","0.0762","0.0874","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000283","9.2115","0.0002","9.8729","0.0002","24.2448","0.0005","90","","90.509","0.001","90","","2204.84","0.08","175","2","175","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H35 F6 N2 P -","- C18 H35 F6 N2 P -","- C72 H140 F24 N8 P4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021378u","","","0.71073","MoKα","","0.062","0.04","","","0.0909","0.1013","","","","","","1.017","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000284","9.6823","0.0003","9.5159","0.0002","25.4086","0.0008","90","","94.215","0.002","90","","2334.71","0.11","300","2","300","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H35 F6 N2 P -","- C18 H35 F6 N2 P -","- C72 H140 F24 N8 P4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm021378u","","","0.71073","MoKα","","0.2166","0.1096","","","0.3145","0.3865","","","","","","1.177","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000285","5.4635","0.0013","7.7205","0.0018","9.976","0.002","71.198","0.004","82.385","0.004","87.92","0.005","394.82","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H18 Co2 N2 O14 P4 -","- C4 H18 Co2 N2 O14 P4 -","- C4 H18 Co2 N2 O14 P4 -","1","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034206l","","","0.71073","MoKα","","0.0459","0.0353","","","0.0662","0.0688","","","","","","0.908","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000286","5.5191","0.0012","7.7183","0.0016","10.051","0.002","71.551","0.004","82.552","0.004","87.627","0.004","402.74","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H18 Fe2 N2 O14 P4 -","- C4 H18 Fe2 N2 O14 P4 -","- C4 H18 Fe2 N2 O14 P4 -","1","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034206l","","","0.71073","MoKα","","0.0439","0.0398","","","0.1009","0.1033","","","","","","1.024","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000287","4.013","0.004","12.539","0.002","25.62","0.002","90","","90","","90","","1289","1","296.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H4 I1.27 S2 Se4 -","- C7 H4 I1.28 S2 Se4 -","- C28 H16 I5.12 S8 Se16 -","4","0.5","","","","Chemistry of Materials","2003","","","","","","","","0.7107","MoKα","","","0.0527","","","","0.0506","","","","","","1.372","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000288","4.01","0.002","12.543","0.002","25.584","0.002","90","","90","","90","","1286.7","0.5","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Br0.08 I1.19 S2 Se4 -","- C7 H4 I1.24 S2 Se4 -","- C28 H16 I4.96 S8 Se16 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034222i","","","0.7107","MoKα","","","0.0269","","","","0.0235","","","","","","1.662","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000289","4.026","0.008","12.515","0.002","25.315","0.003","90","","90","","90","","1275","1","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Br0.52 I0.77 S2 Se4 -","- C7 H4 I1.12 S2 Se4 -","- C28 H16 I4.48 S8 Se16 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034222i","","","0.7107","MoKα","","","0.0314","","","","0.0449","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000290","4.012","0.006","12.546","0.003","25.635","0.005","90","","90","","90","","1290","2","296.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H4 I1.27 S2 Se4 -","- C7 H4 I1.26 S2 Se4 -","- C28 H16 I5.04 S8 Se16 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034222i","","","0.7107","MoKα","","","0.0475","","","","0.0613","","","","","","1.277","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000291","4.4668","0.0006","9.8961","0.0013","5.2077","0.0007","90","","97.516","0.002","90","","228.22","0.05","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Fe2 O7 P2 -","- Fe2 O7 P2 -","- Fe4 O14 P4 -","2","0.5","","Carmen Parada; Josefina Perles; Regino Saez-Puche; Caridad Ruiz-Valero; Natalia Snejko","Crystal growth, Structure and Magnetic Properties of a New Polymorph of Fe2P2O7","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0495","0.0414","","","0.107","0.1103","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000292","14.6228","0.0009","5.5972","0.0004","17.644","0.001","90","","90","","90","","1444.1","0.2","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Sb7.73 Ti10.84 -","- Sb7.734 Ti10.838 -","- Sb30.936 Ti43.352 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034328d","","","0.71073","MoKα","","0.0772","0.0267","","0.0413","0.0361","","","","0.497","0.655","0.655","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000293","37.04","0.007","6.1608","0.0012","12.345","0.003","90","","101.84","0.03","90","","2757","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(5FPEA NEA) tin(II) tetraiodide","","","- C20 H21 F5 I4 N2 Sn -","- C20 F5 I4 N2 Sn -","- C80 F20 I16 N8 Sn4 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034267j","","","0.71073","MoKα","","0.0746","0.0653","","","0.1225","0.1255","","","","","","1.235","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000294","17.5346","0.0006","7.9586","0.0004","22.6169","0.0008","90","","110.04","0.002","90","","2965.1","0.2","293","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Co F12 O11 -","- C20 H28 Co F12 O11 -","- C80 H112 Co4 F48 O44 -","4","1","","","A Novel Self-Generating Liquid MOCVD Precursor for Cobalt Oxide Thin Films","Chemistry of Materials","2003","","","","","10.1021/cm034305z","","","1.54184","CuKα","","0.0826","0.0704","","","0.1829","0.1967","","","","","","0.895","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000295","6.5798","0.001","16.699","0.002","17.63","0.003","90","","90","","90","","1937.2","0.5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H20.6 N2 O6.3 -","- C20 H20 N2 O6.3 -","- C80 H80 N8 O25.2 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm0340532","","","0.71073","MoKα","","0.0982","0.0468","","","0.0945","0.1159","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000296","15.1627","0.0012","9.9144","0.0008","7.0126","0.0006","90","","94.984","0.002","90","","1050.21","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm0340532","","","0.71073","MoKα","","0.0426","0.0333","","","0.0841","0.091","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000297","7.1798","0.0007","30.656","0.003","7.5818","0.0007","90","","93.336","0.002","90","","1666","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C72 H64 N8 O24 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm0340532","","","0.71073","MoKα","","0.0686","0.0414","","","0.0933","0.107","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000298","7.47057","0.00026","7.47057","","7.47057","","90","","90","","90","","416.928","","","","","","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- Ca Cu3 Ga2 Nb2 O12 -","- Ca Cu3 Ga2 Nb2 O12 -","- Ca2 Cu6 Ga4 Nb4 O24 -","2","0.0416667","","","","Chemistry of Materials","2003","","","","","10.1021/cm034318c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000299","8.603","0.002","15.476","0.003","16.504","0.004","90","","96.877","0.005","90","","2181.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H29 N4 O21 P4 Sc3 -","- C4 H18 N4 O21 P4 Sc3 -","- C16 H72 N16 O84 P16 Sc12 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm030306f","","x-ray","0.71073","MoKα","","0.0548","0.0443","","","0.1301","0.1383","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000300","9.4111","0.0015","9.1066","0.0015","9.695","0.0015","90","","117.272","0.003","90","","738.5","0.2","173","2","","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","02189a","","","- C H7 N O8 P2 Sc -","- C H7 N O8 P2 Sc -","- C4 H28 N4 O32 P8 Sc4 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","","","","0.0377","0.032","","","0.0854","0.0884","","","","","","1.081","","","","has coordinates","282548","2023-04-10","20:38:56",""
"4000301","5.3048","0.0011","8.823","0.0018","14.779","0.003","90","","95.685","0.005","90","","688.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H5 O9 P2 Sc -","- H5 O9 P2 Sc -","- H20 O36 P8 Sc4 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","0.71073","MoKα","","0.0584","0.0433","","","0.0927","0.0963","","","","","","0.977","","","","has coordinates","282537","2023-04-10","16:43:03",""
"4000302","5.4429","0.0008","10.2513","0.0015","8.9094","0.0011","90","","90.253","0.007","90","","497.11","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H4 O6 P Sc -","- O6 P Sc -","- O24 P4 Sc4 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks Locality: synthetic","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","0.6845","synchrotron","","0.0655","0.063","","","0.167","0.1697","","","","","","1.127","","","","has coordinates","282537","2023-04-10","16:43:03",""
"4000303","10.737","0.002","12.277","0.002","13.456","0.002","88.45","0.01","82.59","0.01","68.14","0.01","1632","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tetrakis(Dibenzoylmethanato)-(mu!2$-4,4'-bipyr","Tetrakis(1,3-Diphenyl-1,3-propanediono)-(mu!2$-4,4'-bipyridyl)-di-zinc(II), cla","","- C80 H66 N2 O8 Zn2 -","- C80 H66 N2 O8 Zn2 -","- C80 H66 N2 O8 Zn2 -","1","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020987z","","","0.71073","MoKα","","0.0507","0.0369","","","0.0927","0.0985","","","","","","1.035","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000304","12.785","0.002","17.88","0.002","20.05","0.003","74.33","0.01","79.43","0.01","69.2","0.01","4106","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Catena-(bis(Dibenzoylmethanato)-(mu!2$-4,4'-bi","Catena-(bis(1,3-Diphenyl-1,3-propanediono)-(mu!2$-4,4'-bipyridyl)-zinc(II)), cl","","- C47.86 H45.73 N2 O5.97 Zn -","- C48.465 H46.93 N2 O5.37 Zn -","- C193.86 H187.72 N8 O21.48 Zn4 -","4","2","","","","Chemistry of Materials","2003","","","","","10.1021/cm020987z","","","0.71073","MoKα","","0.0732","0.0459","","","0.1331","0.1426","","","","","","1.129","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000305","12.82","0.001","13.074","0.001","18.821","0.003","72.92","0.01","81.78","0.01","62.54","0.01","2675.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Hexakis(Dibenzoylmethanato)-bis(mu!2$-4,4'-bip","Hexakis(1,3-Diphenyl-1,3-propanediono)-bis(mu!2$-4,4'-bipyridyl)-tri-zinc(II),","","- C120 H112 N4 O17 S5 Zn3 -","- C120 H112 N4 O17 S4.9914 Zn3 -","- C120 H112 N4 O17 S4.9914 Zn3 -","1","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020987z","","","0.71073","MoKα","","0.0599","0.0405","","","0.0953","0.1007","","","","","","1.05","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000306","12.242","0.002","13.629","0.002","27.183","0.003","80.45","0.01","87.45","0.01","88.37","0.01","4467","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Tetrakis(Dibenzoylmethanato)-(mu!2$-4,4'-bipyr","Tetrakis(1,3-Diphenyl-1,3-propanediono)-(mu!2$-4,4'-bipyridyl)-di-zinc(II), cla","","- C74 H55.33 F0.67 N2 O8 Zn2 -","- C73.98 H55.3167 F0.663333 N2 O8 Zn2 -","- C221.94 H165.95 F1.99 N6 O24 Zn6 -","3","1.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020987z","","","0.71073","MoKα","","0.1222","0.068","","","0.1382","0.1547","","","","","","1.03","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000307","23.109","0.003","25.834","0.004","10.185","0.002","90","","104.61","0.01","90","","5884","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Catena-(bis(Dibenzoylmethanato)-(mu!2$-4,4'-bi","Catena-(bis(1,3-Diphenyl-1,3-propanediono)-(mu!2$-4,4'-bipyridyl)-zinc(II)), cl","","- C70 H66 N4 O4 Zn -","- C70 H66 N4 O4 Zn -","- C280 H264 N16 O16 Zn4 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020987z","","","0.71073","MoKα","","0.0689","0.0509","","","0.1128","0.1192","","","","","","1.068","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000308","13.006","0.002","13.322","0.002","22.97","0.003","99.79","0.01","95.59","0.01","102.04","0.01","3799","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Catena-(bis(Dibenzoylmethanato)-(mu!2$-4,4'-bi","Catena-(bis(1,3-Diphenyl-1,3-propanediono)-(mu!2$-4,4'-bipyridyl)-zinc(II)), cl","","- C46 H37 N3 O4.5 S0.5 Zn -","- C46 H37 N3 O4.5 S0.5 Zn -","- C184 H148 N12 O18 S2 Zn4 -","4","2","","","","Chemistry of Materials","2003","","","","","10.1021/cm020987z","","","0.71073","MoKα","","0.0442","0.0336","","","0.0784","0.0823","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000309","19.299","0.003","19.866","0.003","22.892","0.003","90","","90","","90","","8777","2","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","Catena-(bis(Dibenzoylmethanato)-(mu!2$-4,4'-bi","Catena-(bis(1,3-Diphenyl-1,3-propanediono)-(mu!2$-4,4'-bipyridyl)-zinc(II)), cl","","- C52 H40 F2 N2 O4 Zn -","- C52 H40 F1.999 N2 O4 Zn0.9807 -","- C416 H320 F15.992 N16 O32 Zn7.8456 -","8","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020987z","","","0.71073","MoKα","","0.0871","0.0462","","","0.1196","0.1333","","","","","","1.024","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000310","11.176","0.003","11.198","0.003","17.746","0.005","83.618","0.005","83.75","0.005","75.875","0.005","2132.7","1","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 Co Li2 O8 -","- C44 H60 Co Li2 O8 -","- C88 H120 Co2 Li4 O16 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020902u","","","0.71073","MoKα","","0.102","0.061","","","0.1571","0.18","","","","","","0.946","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000311","17.338","0.005","13.32","0.003","20.6","0.005","90","","101.699","0.005","90","","4659","2","168","2","168","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C48 H68 Co Li2 O8 -","- C48 H68 Co Li2 O8 -","- C192 H272 Co4 Li8 O32 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020902u","","","0.71073","MoKα","","0.1465","0.0578","","","0.1044","0.1258","","","","","","0.866","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000312","16.0665","0.0017","14.3438","0.0015","22.459","0.002","90","","91.746","0.002","90","","5173.3","0.9","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 Co Li2 O8 -","- C52 H76 Co Li2 O8 -","- C208 H304 Co4 Li8 O32 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020902u","","","0.71073","MoKα","","0.0458","0.0371","","","0.103","0.1091","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000313","17.1013","0.0013","16.7999","0.0013","19.3768","0.0015","90","","90","","90","","5567","0.7","168","2","168","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C56 H84 Co Li2 O6 -","- C56 H84 Co Li2 O6 -","- C224 H336 Co4 Li8 O24 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020902u","","","0.71073","MoKα","","0.142","0.0514","","","0.1195","0.1456","","","","","","0.877","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000314","18.372","0.006","10.291","0.003","23.219","0.007","90","","93.043","0.004","90","","4384","2","168","2","168","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Co Li2 N4 O4 -","- C48 H48 Co Li2 N4 O4 -","- C192 H192 Co4 Li8 N16 O16 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020902u","","","0.71073","MoKα","","0.1817","0.0654","","","0.1141","0.1437","","","","","","0.83","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000315","14.4894","0.0018","37.823","0.005","19.364","0.002","90","","91.384","0.003","90","","10609","2","168","2","168","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H64 Co Li2 N4 O4 -","- C56 H64 Co Li2 N4 O4 -","- C448 H512 Co8 Li16 N32 O32 -","8","4","","","","Chemistry of Materials","2003","","","","","10.1021/cm020902u","","","0.71073","MoKα","","0.1283","0.0516","","","0.0583","0.0708","","","","","","0.759","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000316","14.293","0.003","12.398","0.003","14.148","0.003","90","","109.211","0.004","90","","2367.4","0.9","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Co N2 O2 -","- C26 H28 Co N2 O2 -","- C104 H112 Co4 N8 O8 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm020902u","","","0.71073","MoKα","","0.044","0.0324","","","0.0741","0.0773","","","","","","1.04","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000317","10.702","0.002","10.969","0.002","16.108","0.003","72.975","0.003","84.058","0.003","81.564","0.004","1784.8","0.7","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H49 Co N3 O2 -","- C39 H49 Co N3 O2 -","- C78 H98 Co2 N6 O4 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm020902u","","","0.71073","MoKα","","0.0603","0.0465","","","0.1164","0.1231","","","","","","1.034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000318","9.946","0.002","9.184","0.007","22.313","0.004","90","","96.77","0.01","90","","2023.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cl N O2 -","- C21 H30 Cl N O2 -","- C84 H120 Cl4 N4 O8 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034288d","","","0.7093","MoK/a","","0.0707","0.0458","","","0.1271","0.1349","","","","","","1.089","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000319","7.62389","0.00001","7.62389","","15.327","0.00005","90","","90","","90","","890.862","0.004","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Co O3 Sr0.7 Y0.3 -","- Co16 O42 Sr11.2 Y4.8 -","- Co16 O42 Sr11.2 Y4.8 -","","","","","","Chemistry of Materials","2003","","","","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000320","17.368","0.009","15.817","0.008","9.204","0.004","90","","106.3","0.009","90","","2427","2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H26 Cl4.5 Cu2.5 N2 O2 -","- C20 H26 Cl4.5 Cu2.5 N2 O2 -","- C80 H104 Cl18 Cu10 N8 O8 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034301u","","","0.71073","MoKα","","0.1642","0.0477","","","0.1164","0.1617","","","","","","0.532","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000321","17.931","0.003","14.611","0.002","9.5135","0.0015","90","","106.905","0.003","90","","2384.6","0.6","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H27 Br3.5 Cu1.5 N2 O2.5 -","- C20 H26 Br3.5 Cu1.5 N2 O2.5 -","- C80 H104 Br14 Cu6 N8 O10 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034301u","","","0.71073","MoKα","","0.1408","0.0434","","","0.1023","0.1418","","","","","","0.503","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000322","10.24","0.002","13.279","0.003","13.705","0.003","93.17","0.03","108.6","0.03","106.38","0.03","1672.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H30 Bi Cu N2 O11 -","- C37 H30 Bi Cu N2 O11 -","- C74 H60 Bi2 Cu2 N4 O22 -","2","1","","Thurston, John H.; Ould-Ely, Teyeb; Trahan, Daniel; Whitmire, Kenton H.","Nanostructured bimetallic oxide ion conducting ceramics from single-source molecular precursors","Chemistry of Materials","2003","","","","","10.1021/cm0342851","","","0.71073","MoKα","","0.0343","0.0282","","","0.0666","0.0687","","","","","","1.02","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000323","10.663","0.002","19.361","0.004","19.245","0.004","90","","103.5","0.03","90","","3863.5","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 Bi Cl2 N2 Ni O11 -","- C38 H31 Bi Cl2 N2 Ni O11 -","- C152 H124 Bi4 Cl8 N8 Ni4 O44 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm0342851","","","0.71073","MoKα","","0.0955","0.0577","","","0.1476","0.175","","","","","","1.035","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000324","8.344","0.003","10.043","0.003","12.731","0.004","82.65","0.03","88.36","0.03","74.72","0.02","1020.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C50 H46 N6 O4 -","2","1","","Chiu, Ching-Wen; Chow, Tahsin J.; Chuen, Chang-Hao; Lin, Hsiu-Mei; Tao, Yu-Tai","Bisindolylmaleimides as Red Electroluminescence Materials","Chemistry of Materials","2003","15","23","4527","4532","10.1021/cm0303890","","x-ray","0.71073","MoKα","","0.1234","0.0597","","","0.1699","0.2097","","","","","","1.044","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000325","3.2026","0.0005","3.2026","0.0005","5.1987","0.001","90","","90","","120","","46.178","0.014","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","Gallium manganese nitride (0.9813/0.0187/1)","","- Ga0.98 Mn0.02 N -","- Ga0.98 Mn0.02 N -","- Ga1.96 Mn0.04 N2 -","2","0.166667","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0146","0.0118","","","0.0227","0.0237","","","","","","1.275","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000326","3.1968","0.0005","3.1968","0.0005","5.1901","0.001","90","","90","","120","","45.934","0.013","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","Gallium manganese nitride (0.9525/0.0475/1)","","- Ga0.95 Mn0.05 N -","- Ga0.95 Mn0.05 N -","- Ga1.9 Mn0.1 N2 -","2","0.166667","","","","Chemistry of Materials","2003","","","","","10.1021/cm034500d","","","0.71073","MoKα","","0.0217","0.0203","","","0.04","0.0409","","","","","","1.358","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000327","6.908","0.001","7.946","0.001","16.39","0.001","90","","100.21","0.01","90","","885.42","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cd O8 -","- C4 H8 Cd O8 -","- C16 H32 Cd4 O32 -","4","1","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0382","0.0282","","","0.0702","0.0765","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000328","16.7705","0.0001","16.7705","0.0001","16.7705","0.0001","90","","90","","90","","4716.7","0.05","293","2","293","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C24 H118 Al6 Fe3 N16 O65 P12 -","- C24 Al6 Fe3 N16 O65 P12 -","- C48 Al12 Fe6 N32 O130 P24 -","2","0.0416667","","Beitone, Lionel; Loiseau, Thierry; Millange, Franck; Huguenard, Clarisse; Fink, Gerhard; Taulelle, Francis; Grenèche, Jean-Marc; Férey, Gérard","Tetrahedrally Coordinated Iron(II) Incorporation in the Super-Sodalite Aluminophosphate Fe~3~Al~6~(PO~4~)~12~·4tren·17H~2~O (MIL-74)","Chemistry of Materials","2003","15","24","4590","4597","10.1021/cm034535d","","","0.71073","MoKα","","0.0328","0.0327","","","0.0991","0.0993","","","","","","1.252","","","","has coordinates","178243","2020-10-21","18:00:00",""
"4000329","8.1333","0.0016","12.887","0.002","14.435","0.003","92.389","0.015","102.689","0.015","107.634","0.014","1397.2","0.5","150","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H47 B3 N12 Si2 -","- C14 H47 B3 N12 Si2 -","- C28 H94 B6 N24 Si4 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034337m","","","0.71073","MoKα","","0.1478","0.0536","","","0.118","0.1409","","","","","","0.731","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000330","2.84","0.001","2.84","0.001","14.03","0.006","90","","90","","120","","98","0.06","100","2","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- K Mn2 O5.44 -","- K0.48 Mn1.94 O5.18 -","- K0.48 Mn1.94 O5.18 -","1","0.0416667","","Gaillot, Anne-Claire; Flot, David; Drits, Victor A.; Burghammer, Manfred; Manceau, Alain; Lanson, Bruno","Structure of synthetic K-rich birnessite obtained by high-temperature decomposition of KMnO4. I. Two-layer polytype from 800 C experiments.","Chemistry of Materials","2003","","","","","10.1021/cm021733g","","x-ray","0.729","synchrotron","","","0.0275","","","","0.0696","","","","","","1.088","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000331","13.017","0.002","6.3311","0.0009","18.692","0.003","90","","97.281","0.002","90","","1528","0.4","173","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","01293y","","","- C9 H18 F3 Li O7 S -","- C9 H18 F3 Li O7 S -","- C36 H72 F12 Li4 O28 S4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034351z","","","","","","0.068","0.0549","","","0.1412","0.1464","","","","","","1.113","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4000332","12.319","0.003","6.1696","0.0014","17.285","0.004","90","","94.14","0.004","90","","1310.3","0.5","173","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","02034aaa","","","- C8 H18 Cl Li O8 -","- C8 H18 Cl Li O8 -","- C32 H72 Cl4 Li4 O32 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034351z","","","","","","0.1059","0.0733","","","0.1997","0.213","","","","","","1.139","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000333","6.197","0.001","12.697","0.002","18.542","0.003","90","","95.458","0.003","90","","1452.3","0.4","173","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","02001","","","- C8 H18 As F6 Li O4 -","- C8 H18 As F6 Li O4 -","- C32 H72 As4 F24 Li4 O16 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034351z","","","","","","0.0875","0.0704","","","0.1846","0.1955","","","","","","1.023","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000334","13.1295","0.0016","16.509","0.002","19.413","0.002","104.573","0.002","100.633","0.002","111.656","0.002","3600.6","0.7","173","2","","","","","","","","","","6","P -1","-P 1","2","01179","","","- C38 H72 F18 Li6 O34 S6 -","- C38 H72 F18 Li6 O34 S6 -","- C76 H144 F36 Li12 O68 S12 -","2","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034351z","","","","","","0.0573","0.0454","","","0.1211","0.1337","","","","","","1.029","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4000335","12.3788","0.0018","22.512","0.003","12.3431","0.0018","90","","90","","90","","3439.6","0.9","173","2","","","","","","","","","","6","P b c n","-P 2n 2ab","60","01364e","","","- C20 H44 As2 F12 Li2 O10 -","- C40 H88 B8 F31.92 Li8 O20 -","- C160 H352 B32 F127.68 Li32 O80 -","4","0.5","","","","Chemistry of Materials","2003","","","","","10.1021/cm034352r","","","","","","0.0635","0.042","","","0.1009","0.1145","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4000336","12.715","0.005","17.667","0.007","22.509","0.009","90","","104.539","0.007","90","","4894","3","173","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","02044","","","- C30 H44 F15 Li5 O20 -","- C29.992 H44 F14.973 Li5 O20.002 -","- C119.968 H176 F59.892 Li20 O80.008 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034352r","","","","","","0.0979","0.0743","","","0.1912","0.2112","","","","","","1.04","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4000337","10.711","0.002","19.313","0.003","21.58","0.003","90","","97.01","0.01","90","","4431","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Catena-(bis(Dibenzoylmethanato)-(mu!2$-4,4'-bi","Catena-(bis(1,3-Diphenyl-1,3-propanediono)-(mu!2$-4,4'-bipyridyl)-zinc(II)), clathrate with Chlorobenzene (1:2)","","- C52 H40 Cl2 N2 O4 Zn -","- C51.988 H39.99 Cl1.998 N2 O4 Zn -","- C207.952 H159.96 Cl7.992 N8 O16 Zn4 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm030433b","","","0.71073","MoKα","","0.0461","0.0327","","","0.0828","0.0887","","","","","","1.027","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000338","4.0481","0.0003","4.0481","0.0003","7.7086","0.0013","90","","90","","120","","109.4","0.02","150","1","150","1","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu Li2 P -","- Cu Li2 P -","- Cu2 Li4 P2 -","2","0.0833333","","","","Chemistry of Materials","2003","","","","","10.1021/cm034619m","","","0.71073","MoKα","","0.0232","0.0215","","","0.0447","0.0462","","","","","","1.505","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000339","17.0426","0.0011","9.3703","0.0005","16.1975","0.0008","90","","96.894","0.003","90","","2567.9","0.2","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 B4 Cl2 N8 O34 P8 Zn4 -","- C24 H58 B4 Cl2 N8 O34 P8 Zn4 -","- C48 H116 B8 Cl4 N16 O68 P16 Zn8 -","2","0.5","","Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Borrmann, Horst; Cardoso Gil, Raul; Kniep, Rüdiger","(C6H14N2){Zn[ZnB2P4O15(OH)2]·(C6H13N2)Cl}: A new templated zincoborophosphate","Chemistry of Materials","2003","15","26","4930","4935","10.1021/cm0311224","","","0.71073","MoKα","","0.0879","0.064","","","0.1153","0.1229","","","","","","1.149","","","","has coordinates","198539","2020-10-21","18:00:00",""
"4000340","11.2311","0.0005","14.7822","0.0005","21.0049","0.0008","90","","91.053","0.001","90","","3486.7","0.2","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H60 N6 O12 Zn3 -","- C82.92 H54.12 N5.64 O11.02 Zn2.67 -","- C165.84 H108.24 N11.28 O22.04 Zn5.34 -","2","0.5","","Taeshick Kim","Polymorphs and Blue Luminescence of Oligomeric Zinc (II) Complex; Zn3ppo6 [ppo ( 2((2(hydroxyphenyl)(5(phenyloxazole]","Chemistry of Materials","2003","","","","","10.1021/cm0346428","","","0.7107","MoKα","","","0.023","","","","0.028","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000341","11.0982","0.0004","11.3823","0.0006","14.8522","0.0009","91.612","0.001","105.74","0.003","104.081","0.002","1742.6","0.2","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H60 N6 O12 Zn3 -","- C90 H60 N6 O12 Zn3 -","- C90 H60 N6 O12 Zn3 -","1","0.5","","Taeshick Kim","Polymorphs and Blue Luminescence of Oligomeric Zinc (II) Complex; Zn3ppo6 [ppo ( 2((2(hydroxyphenyl)(5(phenyloxazole]","Chemistry of Materials","2003","","","","","10.1021/cm0346428","","","0.7107","MoKα","","","0.068","","","","0.074","","","","","","0.976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000342","5.0471","0.0007","13.337","0.001","18.239","0.002","106.042","0.008","90.111","0.006","90.019","0.004","1180","0.3","296.1","","","","","","","","heating for about 20 min. at 340 (C","","","5","P -1","-P 1","2","","","","- C30 H20 N2 O4 Zn -","- C30 H20 N2 O4 Zn -","- C60 H40 N4 O8 Zn2 -","2","1","","Taeshick Kim","Polymorphs and Blue Luminescence of Oligomeric Zinc (II) Complex; Zn3ppo6 [ppo ( 2((2(hydroxyphenyl)(5(phenyloxazole]","Chemistry of Materials","2003","","","","","","","","0.7107","MoKα","","","0.09","","","","0.101","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000343","4.9097","0.0009","5.7619","0.001","9.8317","0.0018","78.114","0.003","87.748","0.003","85.626","0.003","271.3","0.08","294","2","294","2","","","","","","","","6","P 1","P 1","1","","Ethylenediammonium dimanganese diphosphate dihydrate","","- C2 H14 Mn2 N2 O10 P2 -","- C2 H14 Mn2 N2 O10 P2 -","- C2 H14 Mn2 N2 O10 P2 -","1","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm0346576","","","0.71073","MoKα","","0.0385","0.0372","","","0.094","0.0946","","","","","","1.041","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000344","6.427","0.004","26.783","0.016","7.235","0.002","90","","95.92","0.05","90","","1238.8","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F4 N2 -","- C15 H10 F4 N2 -","- C60 H40 F16 N8 -","4","1","","","","Chemistry of Materials","2003","","","","","10.1021/cm034504i","","","0.71073","MoKα","","0.1626","0.0616","","","0.1539","0.208","","","","","","0.992","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000345","7.2902","0.0015","8.3757","0.0017","61.789","0.013","88.085","0.003","89.908","0.003","71.268","0.003","3570.8","1.3","153","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H45 Cl N2 O -","- C22 H43 Cl N2 O -","- C132 H258 Cl6 N12 O6 -","6","3","","","","Chemistry of Materials","2003","","","","","","","","0.6867","Synchrotron","","0.08","0.0612","","","0.1611","0.1745","","","","","","1.033","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000346","7.2778","0.0012","8.4129","0.0014","52.322","0.008","90.188","0.003","92.688","0.004","108.799","0.003","3028.8","0.8","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H37 Cl N2 O -","- C18 H35 Cl N1.99867 O -","- C108 H210 Cl6 N11.992 O6 -","6","3","","","","Chemistry of Materials","2004","","","","","10.1021/cm034344a","","","0.71073","MoKα","","0.1587","0.0793","","","0.1981","0.2579","","","","","","0.909","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000347","5.317","0.003","7.694","0.005","24.809","0.015","92.633","0.01","94.194","0.011","101.821","0.011","988.8","1.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H37 Cl N2 O -","- C18 H37 Cl N2 O -","- C36 H74 Cl2 N4 O2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034344a","","","0.71073","MoKα","","0.0731","0.0466","","","0.1112","0.1392","","","","","","0.98","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000348","5.3009","0.0002","24.0823","0.001","13.0444","0.0006","90","","90.3582","0.0016","90","","1665.19","0.12","173","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","E,E-2,5-Bis[2-hydroxyethoxy]-1,4- bis[2-(3,4,5-trimethoxyphenyl)ethoxy]benzene","","","- C34 H44 O11 S -","- C34 H44 O11 S -","- C68 H88 O22 S2 -","2","0.5","","","E,E-2,5-Bis[2-hydroxyethoxy]-1,4- bis[2-(3,4,5-trimethoxyphenyl)ethoxy]benzene","Chemistry of Materials","2004","","","","","10.1021/cm034708z","","","0.71073","MoKα","","0.06","0.0498","","","0.1126","0.1183","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000349","11.08476","0.00023","8.44413","0.00018","9.44187","0.00014","90","","104.537","0.0014","90","","855.475","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.5 Ga N0.5 O7 P2 -","- C3.5 Ga N0.5 O7 P2 -","- C14 Ga4 N2 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034745q","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000350","22.1628","0.0008","8.57244","0.00018","9.44553","0.00016","90","","95.4863","0.003","90","","1786.33","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 Ga2 N O14 P4 -","- C6 Ga2 N O14 P4 -","- C24 Ga8 N4 O56 P16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm034745q","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000351","9.5721","0.0007","8.614","0.0006","12.894","0.001","90","","99.961","0.003","90","","1047.1","0.1","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C6 H10 Ga N O7 P2 -","- C6 H10 Ga N O7 P2 -","- C24 H40 Ga4 N4 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034745q","","x-ray","0.71073","MoKα","","0.1129","0.07","","","0.1762","0.1897","","","","","","1.203","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000352","5.7081","0.0007","7.6036","0.0003","52.869","0.007","90","","97.147","0.006","90","","2276.8","0.4","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 S2 -","- C32 H22 S2 -","- C128 H88 S8 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","1.5418","CuKα","","","0.0646","","","","0.0796","","","","","","1.408","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000353","7.5262","0.0009","5.7856","0.0007","59.997","0.007","90","","92.818","0.006","90","","2609.3","0.5","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 S3 -","- C36 H24 S3 -","- C144 H96 S12 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","1.5418","CuKα","","","0.0711","","","","0.0958","","","","","","2.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000354","5.6824","0.0007","7.585","0.0005","67.907","0.006","90","","91.475","0.005","90","","2925.9","0.5","273.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 S4 -","- C40 H26 S4 -","- C160 H104 S16 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","1.5418","CuKα","","","0.0604","","","","0.0873","","","","","","1.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000355","5.98","0.002","7.828","0.001","61.88","0.02","90","","92.35","0.01","90","","2894","1","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 S6 -","- C36 H22 S6 -","- C144 H88 S24 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","1.5418","CuKα","","","0.0862","","","","0.1202","","","","","","2.281","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000356","7.2688","0.0003","11.7627","0.0004","15.8656","0.0007","90","","92.2424","0.0012","90","","1355.48","0.09","120","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N4 O3 -","- C12 H18 N4 O3 -","- C48 H72 N16 O12 -","4","1","","V. Enkelmann","Imi-2","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","","0.0517","","","","0.0559","","","","","","1.1035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000357","11.8366","0.0003","25.055","0.001","13.3242","0.0003","90","","102.942","0.001","90","","3851.08","0.0003","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H19 N5 O10 -","- C15 H19 N5 O10 -","- C120 H152 N40 O80 -","8","1","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","","0.0746","","","","0.0723","","","","","","0.9826","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000358","8.4815","0.0006","10.3948","0.0007","13.2348","0.0009","108.763","0.006","97.664","0.006","90.375","0.006","1093.43","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 In N3 O3 -","- C27 H18 In N3 O3 -","- C54 H36 In2 N6 O6 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034709r","single crystal","","0.7107","MoKα","","0.0525","0.0457","","","0.1156","0.1259","","","","","","1.05","","","","has coordinates","158826","2020-10-21","18:00:00",""
"4000361","7.4459","0.0001","9.216","0.0001","9.3199","0.0002","90","","104.281","0.001","90","","619.78","0.02","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- H2 K0.5 O7.5 P1.5 V Zn0.5 -","- K0.5 O7.5 P1.5 V Zn0.5 -","- K2 O30 P6 V4 Zn2 -","4","1","","","Crystal structures and magnetic properties of the new alkaline zinc oxovanadium phosphates MZn(H2O)(VO)2(PO4)2(H2PO4) with M = K+, Rb+ and Cs+.","Chemistry of Materials","2004","","","","","10.1021/cm031090k","","","0.71073","MoKα","","0.0636","0.0475","","","0.0926","0.0946","","","","","","2.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000362","10.8586","0.0002","9.1973","0.0002","13.1673","0.0003","90","","103.501","0.001","90","","1278.68","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H4 O15 P3 Rb V2 Zn -","- O15 P3 Rb V2 Zn -","- O60 P12 Rb4 V8 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm031090k","","","0.71073","MoKα","","0.0721","0.0468","","","0.0929","0.0963","","","","","","1.661","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000363","7.5159","0.0001","9.1994","0.0001","9.5465","0.0002","90","","99.912","0.001","90","","650.21","0.02","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- Cs0.5 H2 O7.5 P1.5 V Zn0.5 -","- Cs0.5 O7.5 P1.5 V Zn0.5 -","- Cs2 O30 P6 V4 Zn2 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm031090k","","","0.71073","MoKα","","0.0565","0.0491","","","0.1064","0.1082","","","","","","2.477","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000364","15.1898","0.0011","10.0913","0.0008","40.111","0.003","90","","91.345","0.002","90","","6146.7","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis[(N-docdecyl)imidazolium]tetrachloropalladate(II)","","- C54 H106 Cl4 N4 Pd -","- C54 H106 Cl4 N4 Pd -","- C216 H424 Cl16 N16 Pd4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030296i","","","0.71073","MoKα","","0.1028","0.0865","","","0.2096","0.2288","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000365","83.357","0.003","8.5867","0.0003","16.8486","0.0004","90","","97.468","0.001","90","","11957.2","0.7","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(C12H25)2-im]2[CuCl4]H2O","bis[(N-docdecyl)imidazolium]tetrachlorocuprate(II)","","- C54 H108 Cl4 Cu N4 O -","- C54 H108 Cl4 Cu N4 O -","- C432 H864 Cl32 Cu8 N32 O8 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm030296i","","","0.71073","MoKα","","0.081","0.055","","0.1395","0.1277","","","","1.055","1.112","1.112","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000366","13.4487","0.0002","17.921","0.0002","19.9026","0.0003","90","","90.9833","0.0007","90","","4796.1","0.11","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 F2 N4 O42 P6 U6 -","- C12 H44 F2 N4 O42 P6 U6 -","- C48 H176 F8 N16 O168 P24 U24 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0350838","","","0.71073","MoKα","","0.051","0.0399","","0.1045","0.0988","0.0988","","","","","","0.8746","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000367","12.156","0.003","13.96","0.004","14.258","0.004","90","","90","","90","","2419.6","1.1","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C2.5 H10 Ge4.5 N2.5 O11 -","- C2.5 H9 Ge4.5 N2.5 O11 -","- C20 H72 Ge36 N20 O88 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0346879","","","0.71073","MoKα","","0.0416","0.0392","","","0.0973","0.0987","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000368","9.5645","0.0002","16.1754","0.0002","29.7612","0.0007","90","","90.421","0.001","90","","4604.2","0.2","151","2","151","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H78 Mo2 N4 O8 Si2 -","- C32 H78 Mo2 N4 O8 Si2 -","- C128 H312 Mo8 N16 O32 Si8 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0565","0.0352","","0.0877","0.0818","","","","0.958","1.074","1.074","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000369","12.7732","0.0005","12.4173","0.0005","17.3864","0.0007","90","","102.3","","90","","2694.3","0.2","293","2","154","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H90 Mo2 O12 Si2 -","- C40 H90 Mo2 O12 Si2 -","- C80 H180 Mo4 O24 Si4 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0518","0.0333","","0.0828","0.0785","","","","0.931","1.06","1.06","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000370","15.6091","0.0002","13.3064","0.0003","19.4502","0.0004","90","","93.721","0.001","90","","4031.31","0.13","293","2","145","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H132 B2 Mo2 N4 O18 Si4 -","- C56 H132 B2 Mo2 N4 O18 Si4 -","- C112 H264 B4 Mo4 N8 O36 Si8 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0727","0.0381","","0.1165","0.0861","","","","1.008","0.911","0.911","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000371","10.6499","0.0002","19.0944","0.0005","15.0019","0.0003","90","","105.227","0.001","90","","2943.59","0.11","146","2","146","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H90 Mo2 N2 O16 P4 -","- C42 H90 Mo2 N2 O16 P4 -","- C84 H180 Mo4 N4 O32 P8 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0812","0.0461","","0.1127","0.1041","","","","0.909","1.07","1.07","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000372","15.6706","0.0001","16.8518","0.0003","24.3821","0.0003","90","","90","","90","","6438.77","0.15","142","2","142","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C41 H96 Mo2 N2 O16 P4 -","- C41.04 H84 Mo2 N2 O16 P4 -","- C164.16 H336 Mo8 N8 O64 P16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0708","0.0384","","0.1103","0.1018","","","","1.014","1.159","1.159","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000373","15.7641","0.0013","20.947","0.002","10.0739","0.0008","90","","106.907","0.002","90","","3182.8","0.4","129","2","129","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C44 H102 Mo2 N2 O16 P2 Si2 -","- C44 H102 Mo2 N2 O16 P2 Si2 -","- C88 H204 Mo4 N4 O32 P4 Si4 -","2","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0661","0.0437","","0.1103","0.1027","","","","0.974","1.051","1.051","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000374","12.714","0.006","21.769","0.009","24.999","0.011","81.542","0.007","76.19","0.007","88.013","0.008","6645.6","4.9","142","2","142","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.5 H108 Mo2 N2 O16 P2 Si2 -","- C46.5 H94.5 Mo2 N2 O16 P2 Si2 -","- C186 H378 Mo8 N8 O64 P8 Si8 -","4","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.192","0.0586","","0.1373","0.1066","","","","0.805","1.087","1.087","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000375","13.3363","0.0002","14.4157","0.0001","24.8246","0.0001","94.539","0.001","92.367","0.001","93.16","","4745.37","0.08","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H156 B2 Mo2 N2 O26 P2 Si4 -","- C68 H156 B2 Mo2 N2 O26 P2 Si4 -","- C136 H312 B4 Mo4 N4 O52 P4 Si8 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm030563k","","","0.71073","MoKα","","0.0947","0.047","","0.1221","0.1067","","","","0.903","1.062","1.062","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4000376","16.0068","0.0015","14.5129","0.0008","7.0231","0.0005","90","","90","","90","","1631.5","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Sodium Vanadyl Phosphate","Sodium Vanadium Oxide Phosphate","","- Na4 O9 P2 V -","- Na4 O9 P2 V -","- Na32 O72 P16 V8 -","8","1","","Rodion V. Panin; Roman V. Shpanchenko; Andrey V. Mironov; Yuri A. Velikodny; Evgeny V. Antipov; Joke Hadermann; Vasily A. Tarnopolsky; Andrey B. Yaroslavtsev","Crystal Structure, Polymorphism and Properties of the New Vanadylphosphate Na4VO(PO4)2","Chemistry of Materials","2004","","","","","10.1021/cm0351543","","","0.71069","MoKα","","0.0294","0.0294","","","0.0405","0.0405","","","","1.71","1.71","1.71","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000377","12.8307","0.0013","7.3349","0.0008","13.319","0.0014","90","","98.724","0.002","90","","1239","0.2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C3 H5 F1.5 Fe0.75 N O2.27 S0.5 -","- C3 H5 F1.5 Fe0.75 N O2.273 S0.5 -","- C24 H40 F12 Fe6 N8 O18.184 S4 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035304+","","","0.71073","MoKα","","0.0336","0.027","","0.0856","0.0837","","","","1.12","1.154","1.154","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000378","8.5539","0.0004","8.6099","0.0004","11.9825","0.0005","90","","90.002","0.007","90","","882.495","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Li2.5 O12 P3 V2 -","- Li2.5 O12 P3 V2 -","- Li10 O48 P12 V8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034802f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000379","8.45678","","8.62076","","11.89577","","90","","90.2366","","90","","867.24","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Li2 O12 P3 V2 -","- Li2 O12 P3 V2 -","- Li8 O48 P12 V8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034802f","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000380","3.9919","0.0007","17.836","0.003","13.888","0.002","90","","95.901","0.007","90","","983.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N3 S4 -","- C7 H6 N3 S4 -","- C28 H24 N12 S16 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035191u","","","1.54178","CuKα","","0.1181","0.0685","","","0.1549","0.1692","","","","","","0.915","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000381","16.182","0.003","16.182","0.003","4.2947","0.0012","90","","90","","120","","974","0.4","298","2","298","2","","","","","","","","4","P 31 2 1","P 31 2""","152","PhBPMe","4-Methyl-4-phenyl-bis[1,2,3]dithiazolo[4,5-b:5',4'-e]pyridin-yl","","- C12 H8 N3 S4 -","- C12 H8 N3 S4 -","- C36 H24 N9 S12 -","3","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm035191u","","","0.71073","MoKα","","0.0631","0.0363","","","0.0725","0.08","","","","","","1.065","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000382","10.8341","0.0003","10.2769","0.0003","13.0558","0.0004","90","","103.076","0.0009","90","","1415.95","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Mn N9 -","- C12 H11 Mn N9 -","- C48 H44 Mn4 N36 -","4","1","","","New two-dimensional manganese(II)-azido polymers with bidentate coligands: structure and magnetic properties","Chemistry of Materials","2004","","","","","10.1021/cm0351590","","","0.71073","MoKα","","0.0977","0.0378","","","0.0717","0.0863","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000383","11.3","0.002","10.077","0.002","10.122","0.002","90","","109.22","0.03","90","","1088.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Mn N9 O -","- C6 H7 Mn N9 O -","- C24 H28 Mn4 N36 O4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0351590","","","0.71073","MoKα","","0.0589","0.0268","","","0.0483","0.052","","","","","","0.822","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000384","6.976","0.0002","8.102","0.0003","12.7442","0.0005","90","","90","","90","","720.3","0.04","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","Methylammonium Lithium Pyrofluoroberyllate","","","- C H6 Be2 F7 Li2 N -","- C H6 Be2 F7 Li2 N -","- C4 H24 Be8 F28 Li8 N4 -","4","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm035316v","","","0.71073","MoKα","","0.0267","0.024","","","0.061","0.0623","","","","","","1.078","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000385","9.842","0.002","12.221","0.002","10.025","0.002","90","","90","","90","","1205.8","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Ammonium Lithium Pyrofluoroberyllate","","","- Be2 F7 H4 Li2 N -","- Be2 F7 H4 Li2 N -","- Be16 F56 H32 Li16 N8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm035316v","","","0.71073","MoKα","","0.0724","0.0408","","","0.0836","0.0955","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000386","10.045","0.0004","12.337","0.0005","4.93214","0.0002","90","","90","","90","","611.22","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Be2 F7 H4 Li2 N -","- Be8 F28 H16 Li8 N4 -","- Be8 F28 H16 Li8 N4 -","","","","Gerrard; Lee A.; Weller; Mark T.","Li2Be2F7NH4 RT Polaris Neutron Data","Chemistry of Materials","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000387","10.024","0.002","12.288","0.003","4.9371","0.0007","90","","90","","90","","608.1","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Ammonium Lithium Pyrofluoroberyllate","","","- Be2 F7 H4 Li2 N -","- Be2 F7 H4 Li2 N -","- Be8 F28 H16 Li8 N4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm035316v","","","0.71073","MoKα","","0.1493","0.0463","","","0.0819","0.1076","","","","","","0.873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000388","21.7158","0.0009","21.7158","0.0009","12.4479","0.0007","90","","90","","120","","5083.7","0.4","294","2","294","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- In Na5 O12 Si4 -","- In Na4.99667 O12 Si4 -","- In18 Na89.94 O216 Si72 -","18","0.5","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","0.0461","0.0446","","","0.0837","0.0841","","","","","","1.537","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000389","11.1447","0.0005","14.6246","0.0006","17.5317","0.0008","89.129","0.001","83.068","0.001","83.56","0.001","2818.6","0.2","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H104 Ce2 O8 -","- C48 H104 Ce2 O8 -","- C96 H208 Ce4 O16 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035392y","","","0.71073","MoKα","","0.0456","0.0264","","","0.0654","0.0746","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000390","39.8617","0.0024","10.5075","0.0006","20.5428","0.0012","90","","95.758","0.001","90","","8560.9","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H72 Ce N4 O4 -","- C38 H72 Ce N4 O4 -","- C304 H576 Ce8 N32 O32 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035392y","","","0.71073","MoKα","","0.0489","0.0298","","","0.0689","0.0823","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000391","15.386","0.002","13.138","0.001","27.386","0.003","90","","104.32","0.01","90","","5363.8","1","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H86 Ce2 O11 -","- C44.99 H70 Ce2 O11 -","- C179.96 H280 Ce8 O44 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035392y","","","0.71073","MoKα","","0.0511","0.0379","","","0.1024","0.1151","","","","","","1.046","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000392","11.681","0.003","13.303","0.003","13.344","0.003","61.103","0.004","68.788","0.004","74.871","0.005","1682.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","lj28a","","","- C44 H34 N4 Si -","- C44 H34 N4 Si -","- C88 H68 N8 Si2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035379d","","","0.71073","MoKα","","0.2172","0.0604","","","0.0715","0.0914","","","","","","0.716","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000393","9.804","0.003","10.381","0.003","20.723","0.006","81.055","0.005","87.709","0.006","75.893","0.006","2020.5","1","297","2","297","2","","","","","","","","4","P -1","-P 1","2","j38a","","","- C50 H42 N6 Si -","- C49.96 H32 N5.99 Si -","- C99.92 H64 N11.98 Si2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm035379d","","","0.71073","MoKα","","0.2767","0.0644","","","0.0964","0.1289","","","","","","0.7","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000394","12.702","0.003","14.933","0.004","20.219","0.004","102.594","0.005","105.874","0.005","103.861","0.005","3412.2","1.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.6 H23.2 F4.8 N2.4 O4 Si0.4 Zn0.8 -","- C27 H20 F4.8 N2.4 O4 Si0.4 Zn0.8 -","- C135 H100 F24 N12 O20 Si2 Zn4 -","5","2.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm035379d","","","0.71073","MoKα","","0.2176","0.0662","","","0.1083","0.1369","","","","","","0.75","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000395","14.8651","0.0014","7.5694","0.0007","22.796","0.002","90","","106.833","0.001","90","","2455.1","0.4","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H62 Co3 N6 O31 P4 -","- C28 H32 Co3 N6 O31 P4 -","- C56 H64 Co6 N12 O62 P8 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0498990","","","0.71073","MoKα","","0.121","0.0625","","","0.1342","0.1636","","","","","","1.04","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000396","14.3635","0.0008","12.0029","0.0006","16.9974","0.0009","90","","113.381","0.001","90","","2689.8","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H46 N6 O25 P4 Zn5 -","- C28 H24 N6 O25 P4 Zn5 -","- C56 H48 N12 O50 P8 Zn10 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0498990","","","0.71073","MoKα","","0.0811","0.0565","","","0.1402","0.1592","","","","","","1.08","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000397","8.23","0.001","9.655","0.001","4.9093","0.0008","90","","90","","90","","390.1","0.09","293","2","293","2","","","","","","","","5","I m m 2","I 2 -2","44","Ba sialon","","","- Al Ba N7 O2 Si5 -","- Al Ba N7 O2 Si5 -","- Al2 Ba2 N14 O4 Si10 -","2","0.25","","Esmaeilzadeh, Saeid; Grins, Jekabs; Shen, Zhijian; Edén, Mattias; Thiaux, Marie","Study of Sialon S-phases M~2~Al~x~Si~12-x~N~16-x~O~2+x~, M = Ba and Ba~0.9~Eu~0.1~, by X-ray Single Crystal Diffraction, X-ray Powder Diffraction, and Solid-State Nuclear Magnetic Resonance","Chemistry of Materials","2004","16","11","2113","2120","10.1021/cm031129l","","","0.71073","MoKα","","0.0351","0.0349","","","0.0952","0.0954","","","","","","1.138","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000398","5.77544","0.00005","5.77544","","7.08762","0.0001","90","","90","","120","","204.739","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Mg Nb2 O9 -","- Ba3 Mg Nb2 O9 -","- Ba3 Mg Nb2 O9 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000399","4.08704","","4.08704","","4.08704","","90","","90","","90","","68.2696","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ba Mg0.33 Nb0.67 O3 -","- Ba Mg0.33333 Nb0.66667 O3 -","- Ba Mg0.33333 Nb0.66667 O3 -","1","0.0208333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000400","5.77385","0.00005","5.77385","","7.09376","0.00008","90","","90","","120","","204.803","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Mg O9 Ta2 -","- Ba3 Mg O9 Ta2 -","- Ba3 Mg O9 Ta2 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000401","5.75496","0.00006","5.75496","","7.06695","0.00009","90","","90","","120","","202.697","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba Nb0.67 Ni0.33 O3 -","- Ba Nb0.666667 Ni0.333333 O3 -","- Ba3 Nb2 Ni O9 -","3","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000402","5.75513","0.00008","5.75513","","7.0748","0.00012","90","","90","","120","","202.934","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba3 Ni O9 Ta2 -","- Ba3 Ni O9 Ta2 -","- Ba3 Ni O9 Ta2 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000403","5.78207","0.00006","5.78207","","7.09731","0.00011","90","","90","","120","","205.49","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba Nb0.67 O3 Zn0.33 -","- Ba Nb0.667333 O3 Zn0.332667 -","- Ba3 Nb2.002 O9 Zn0.998 -","3","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm049831k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000404","12.057","0.002","16.583","0.003","8.639","0.0016","90","","90","","90","","1727.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- Se5 Sn Sr2 -","- Se5 Sn Sr2 -","- Se40 Sn8 Sr16 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0499242","","","0.71073","MoKα","","0.0571","0.0424","","","0.0821","0.0873","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000405","21.7601","0.0014","21.8585","0.0015","13.406","0.0009","90","","90","","90","","6376.5","0.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Mg Se4 Sn Sr -","- Mg Se4 Sn Sr -","- Mg32 Se128 Sn32 Sr32 -","32","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0499242","","","0.71073","MoKα","","0.0484","0.0301","","","0.0694","0.0739","","","","","","1.155","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000406","21.8916","0.0012","21.8933","0.0012","13.547","0.0007","90","","90","","90","","6492.8","0.6","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- Se4 Sn2 Sr -","- Se4 Sn2 Sr -","- Se128 Sn64 Sr32 -","32","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0499242","","","0.71073","MoKα","","0.0467","0.0331","","","0.0992","0.1044","","","","","","1.308","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000407","6.634","0.001","9.783","0.003","12.926","0.003","87.2","0.02","79","0.02","81.55","0.02","814.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.15 Cl0.85 I0.5 S8 -","- C10 H8 Br0.15 Cl0.85 I0.5 S7.995 -","- C20 H16 Br0.3 Cl1.7 I S15.99 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034866q","","","0.7107","MoKα","","0.0322","0.025","","0.0695","0.0592","","","","1.067","1.109","1.109","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000408","5.757","0.001","9.029","0.002","16.29","0.003","92.8","0.02","96.78","0.02","103.77","0.02","814.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Br0.25 Cl0.75 I0.5 S8 -","- C10 H8 Br0.249 Cl0.751 I0.5 S8 -","- C20 H16 Br0.498 Cl1.502 I S16 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm034866q","","","0.71073","MoKα","","0.0254","0.02","","0.0636","0.0499","","","","1.052","1.092","1.092","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000409","23.394","0.003","12.339","0.002","18.037","0.003","90","","92.011","0.011","90","","5203.1","1.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H57 Ir N4 O2 -","- C65 H57 Ir N4 O2 -","- C260 H228 Ir4 N16 O8 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0498943","","","0.71073","MoKα","","0.0474","0.0294","","","0.0714","0.0773","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000410","15.103","0.005","20.708","0.005","14.834","0.006","100.2","0.03","116.55","0.02","81.07","0.03","4069","2","293","2","298","2","","","","","","","","8","P -1","-P 1","2","","Pentakis(trimethylphenylammonium) chloroferroundecamolybdophosphate(5-) acetonitrile (1/2)","","- C49 H76 Cl Fe Mo11 N7 O39 P -","- C49 Cl0.96 Fe0.96 Mo11.04 N7 O39.04 P -","- C98 Cl1.92 Fe1.92 Mo22.08 N14 O78.08 P2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0348996","","","0.71069","MoKα","","0.1987","0.0818","","","0.2242","0.2739","","","","","","1.046","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4000411","21.759","0.003","13.8214","0.0018","14.2237","0.0018","90","","98.849","0.004","90","","4226.7","0.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C7 H11 Al4 F N2 O16.5 P4 -","- C7 H11 Al4 F N2 O16.5 P4 -","- C56 H88 Al32 F8 N16 O132 P32 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0353005","","","0.6875","Synchrotron","","0.1118","0.0628","","","0.1441","0.1644","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000412","12.634","0.001","12.634","0.001","3.9515","0.0003","90","","90","","90","","630.73","0.09","293","2","293","2","","","","","","","","3","P 4 b m","P 4 -2ab","100","","","","- F30 Fe10 K5.25 -","- F30 Fe10 K5.25 -","- F30 Fe10 K5.25 -","1","0.125","","Fabbrici, Simone; Montanari, Erica; Righi, Lara; Calestani, Gianluca; Migliori, Andrea","Charge order and tilt modulation in multiferroic K~x~M^2+~x~M^3+~1-x~F~3~ (0.4<x<0.6) transition metal fluorides with tetragonal tungsten bronze structure","Chemistry of Materials","2004","","","","","10.1021/cm049346p","","","0.71069","MoKα","","0.0272","0.0215","","0.0515","0.0497","","","","1","1.05","1.05","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000413","35.73","0.003","17.872","0.001","7.903","0.0006","90","","90","","90","","5046.6","0.7","293","2","293","2","","","","","","","","3","B b m 2","B 2 -2b","40","","","","- F30 Fe10 K5.24 -","- F30 Fe10 K5.2435 -","- F240 Fe80 K41.948 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049346p","","","0.71069","MoKα","","0.0939","0.0225","","0.0758","0.0506","","","","0.746","1.035","1.035","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000414","12.634","0.001","12.634","0.001","7.903","0.0006","90","","90","","90","","1261.5","0.2","293","2","293","2","","","","","","","","3","P 42 b c","P 4c -2ab","106","","","","- F15 Fe5 K2.63 -","- F15 Fe5 K2.627 -","- F60 Fe20 K10.508 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049346p","","","0.71069","MoKα","","0.0402","0.0209","","0.0613","0.0544","","","","0.978","1.141","1.141","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000415","7.4368","0.0013","21.845","0.004","7.2227","0.0013","90","","90","","90","","1173.4","0.4","273","2","273","2","","","","","","","","5","A m a 2","A 2 -2a","40","guandinium ethylbenzenesulfonate","","","- C9 H15 N3 O3 S -","- C9 H15 N3 O3 S -","- C36 H60 N12 O12 S4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.0254","0.0248","","","0.0644","0.0647","","","","","","1.107","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000416","22.13","0.002","7.5101","0.0008","7.6858","0.0008","90","","90","","90","","1277.4","0.2","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","guanidinium propylbenzenesulfonate","","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C40 H68 N12 O12 S4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.091","0.066","","","0.1878","0.2002","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000417","24.773","0.002","7.5708","0.0006","22.3375","0.0019","90","","90","","90","","4189.5","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","03066","","","- C11 H19 N3 O3 S -","- C11.5667 H19 N3 O3 S -","- C138.8 H228 N36 O36 S12 -","12","1.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.0645","0.0496","","","0.1317","0.1418","","","","","","1.01","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000418","7.1549","0.0007","11.9854","0.0012","20.579","0.002","90","","90","","90","","1764.7","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Guanidinium heptylbenzenesulfonate","","","- C14 H25 N3 O3 S -","- C14 H25 N3 O3 S -","- C56 H100 N12 O12 S4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1264","0.0651","","","0.1195","0.1364","","","","","","0.987","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000419","7.796","0.002","11.825","0.004","23.588","0.007","82.83","0.005","86.091","0.005","89.365","0.005","2152.6","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","undecylbenzene sulfonate","","","- C18 H33 N3 O3 S -","- C18 H33 N3 O3 S -","- C72 H132 N12 O12 S4 -","4","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1009","0.0664","","","0.1656","0.1821","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000420","7.9093","0.0016","10.18","0.002","54.544","0.011","90","","93.94","0.03","90","","4381.4","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","guandinium dodecylbenzenesulfonate","","","- C19 H35 N3 O3 S -","- C19 H35 N3 O3 S -","- C152 H280 N24 O24 S8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.179","0.1411","","","0.3467","0.365","","","","","","1.245","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000421","7.8868","0.0008","10.1325","0.001","59.017","0.006","90","","92.131","0.002","90","","4713","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","guanidinium tetradecylbenzenesulfonate","","","- C21 H39 N3 O3 S -","- C21 H39 N3 O3 S -","- C168 H312 N24 O24 S8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1553","0.0973","","","0.2173","0.2372","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000422","7.9138","0.0003","10.1427","0.0004","63.907","0.002","90","","90.032","0.002","90","","5129.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","guanidinium hexadecylbenzenesulfonate","","","- C23 H43 N3 O3 S -","- C23 H43 N3 O3 S -","- C184 H344 N24 O24 S8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1101","0.0983","","","0.2495","0.2575","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000423","7.6188","0.0013","7.7097","0.0013","36.33","0.006","90","","90","","90","","2134","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","guanidinium octylbiphenylsulfonate","","","- C21 H31 N3 O3 S -","- C21 H31 N3 O3 S -","- C84 H124 N12 O12 S4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.0375","0.0327","","","0.0813","0.084","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000424","7.6689","0.0016","7.9238","0.0016","38.321","0.008","90","","92.893","0.003","90","","2325.7","0.8","173","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","guanidinium decylbiphenylsulfonate","","","- C23 H35 N3 O3 S -","- C23 H35 N3 O3 S -","- C92 H140 N12 O12 S4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1541","0.1114","","","0.2236","0.2405","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000425","3.80005","0.00006","3.80005","","4.6703","0.0001","90","","90","","90","","67.441","0.002","293","","293","","","","","","","","","3","P 4 m m","P 4 -2","99","Lead vanadate","Lead Vanadium oxide","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Shpanchenko, Roman V.; Chernaya, Victoria V.; Tsirlin, Alexander A.; Chizhov, Pavel S.; Sklovsky, Dmitry E.; Antipov, Evgeny V.; Khlybov, Evgeny P.; Pomjakushin, Vladimir; Balagurov, Anatoly M.; Medvedeva, Julia E.; Kaul, Enrique E.; Geibel, Christoph","","Chemistry of Materials","2004","16","17","3267","3273","10.1021/cm049310x","powder diffraction","","","","","","","","","","","","","1.91","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000426","10.0364","0.0006","19.0397","0.0011","14.6644","0.0009","90","","98.192","0.001","90","","2773.6","0.3","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1) Zn2(ONep)2(Et)2(py)2","","","- C24 H42 N2 O2 Zn2 -","- C24 H42 N2 O2 Zn2 -","- C96 H168 N8 O8 Zn8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0463","0.0363","","","0.0899","0.0954","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000427","12.8441","0.0012","12.8441","0.0012","10.4873","0.0019","90","","90","","90","","1730.1","0.4","168","2","168","2","","","","","","","","4","P 42/n :2","-P 4bc","86","(2) Zn2(OtBu)2(Et)2(py)2","","","- C28 H64 O4 Zn4 -","- C28 H64 O4 Zn4 -","- C56 H128 O8 Zn8 -","2","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0395","0.0293","","","0.0649","0.0688","","","","","","1.059","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000428","9.0356","0.0012","16.287","0.002","9.0483","0.0012","90","","110.124","0.002","90","","1250.3","0.3","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3) Zn4(ONep)4(Et)4","","","- C22 H38 N2 O2 Zn2 -","- C22 H38 N2 O2 Zn2 -","- C44 H76 N4 O4 Zn4 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0471","0.037","","","0.0845","0.0886","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000429","11.667","0.002","19.309","0.003","11.872","0.002","90","","97.432","0.003","90","","2652","0.8","168","2","168","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(4) Zn7(OMPrc)8(Et)6","","","- C44 H58 O8 Zn7 -","- C44 H58 O8 Zn7 -","- C88 H116 O16 Zn14 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0495","0.0377","","","0.1031","0.1134","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000430","16.994","0.004","16.994","0.004","11.133","0.003","90","","90","","90","","3215.3","1.5","168","2","168","2","","","","","","","","4","I 41/a :2","-I 4ad","88","(5) Zn4(OMBuc)4(Et)4","","","- C28 H56 O4 Zn4 -","- C28 H56 O4 Zn4 -","- C112 H224 O16 Zn16 -","4","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0372","0.0277","","","0.0624","0.0665","","","","","","1.072","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000431","8.166","0.003","19.155","0.008","10.522","0.004","90","","97.35","0.006","90","","1632.4","1.1","168","2","168","2","","","","","","","","4","P 1 21 1","P 2yb","4","(6) Zn4(OMPec)4(Et)4","","","- C28 H56 O4 Zn4 -","- C28 H56 O4 Zn4 -","- C56 H112 O8 Zn8 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0758","0.0481","","","0.1002","0.1119","","","","","","0.993","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000432","8.628","0.009","11.75","0.012","14.07","0.014","90","","94.259","0.018","90","","1422","3","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(7) Zn(DMP)(Et)(py)2","","","- C15 H19 N O Zn -","- C15 H19 N O Zn -","- C60 H76 N4 O4 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.123","0.0835","","","0.2025","0.2172","","","","","","1.182","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000433","8.9458","0.0011","17.864","0.002","14.3718","0.0017","90","","94.455","0.002","90","","2289.7","0.5","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(8) Zn(DIP)(Et)(py)2","","","- C24 H32 N2 O Zn -","- C24 H32 N2 O Zn -","- C96 H128 N8 O4 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0345","0.0299","","","0.0755","0.0782","","","","","","1.062","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000434","8.8842","0.0014","16.646","0.003","15.35","0.002","90","","96.162","0.003","90","","2256.9","0.6","168","2","168","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(8a) Zn(DIP)(Et)(MeIm)2","","","- C22 H34 N4 O Zn -","- C22 H34 N4 O Zn -","- C88 H136 N16 O4 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.062","0.0429","","","0.0836","0.0894","","","","","","1.09","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000435","11.177","0.004","21.96","0.007","20.531","0.007","90","","99.108","0.005","90","","4976","3","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(9) Zn(DBP)(Et)(py)2","","","- C26 H36 N2 O Zn -","- C26 H36 N2 O Zn -","- C208 H288 N16 O8 Zn8 -","8","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.1365","0.0714","","","0.1121","0.1322","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000436","10.1258","0.0014","9.8195","0.0014","15.366","0.002","90","","92.717","0.003","90","","1526.1","0.4","168","2","168","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(9b) Zn2(DBP)2(Et)2","","","- C32 H52 O2 Zn2 -","- C32 H52 O2 Zn2 -","- C64 H104 O4 Zn4 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0595","0.0408","","","0.0862","0.0928","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000437","14.232","0.003","12.391","0.003","14.194","0.003","90","","108.743","0.004","90","","2370.5","1","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(10) Zn(DMP)2(py)2","","","- C26 H28 N2 O2 Zn -","- C26 H28 N2 O2 Zn -","- C104 H112 N8 O8 Zn4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0353","0.0294","","","0.0693","0.0715","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000438","13.972","0.003","12.312","0.002","14.233","0.003","90","","106.487","0.004","90","","2347.6","0.8","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(10a) Zn(DMP)2(MeIm)2","","","- C24 H30 N4 O2 Zn -","- C24 H30 N4 O2 Zn -","- C96 H120 N16 O8 Zn4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0636","0.0456","","","0.0882","0.094","","","","","","1.087","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000439","12.862","0.002","13.097","0.003","14.012","0.003","90","","90","","90","","2360.4","0.7","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(10b) Zn(DMP)2(MeIm)(py)","","","- C25 H29 N3 O2 Zn -","- C25 H29 N3 O2 Zn -","- C100 H116 N12 O8 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0569","0.0464","","","0.1071","0.1118","","","","","","1.04","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000440","15.573","0.005","10.764","0.003","19.106","0.006","90","","101.762","0.005","90","","3135.5","1.6","168","2","168","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(11) Zn(DIP)2(py)2","","","- C34 H44 N2 O2 Zn -","- C34 H44 N2 O2 Zn -","- C136 H176 N8 O8 Zn4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0434","0.0338","","","0.0789","0.0847","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000441","19.631","0.003","19.768","0.003","21.383","0.004","91.914","0.003","93.064","0.003","114.479","0.003","7527","2","168","2","168","2","","","","","","","","5","P -1","-P 1","2","(11a) Zn(DIP)2(MeIm)2","","","- C76 H110 N8 O5 Zn2 -","- C76 H110 N8 O5 Zn2 -","- C304 H440 N32 O20 Zn8 -","4","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0579","0.0405","","","0.1023","0.1088","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000442","9.739","0.0013","11.7125","0.0015","16.829","0.002","102.641","0.002","99.233","0.002","90.565","0.002","1846.8","0.4","168","2","168","2","","","","","","","","5","P -1","-P 1","2","(12) Zn(DBP)2(py)2","","","- C40.5 H54.5 N2.5 O2 Zn -","- C38 H52 N2 O2 Zn -","- C76 H104 N4 O4 Zn2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0463","0.0354","","","0.0801","0.0835","","","","","","0.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000443","9.9659","0.0015","11.3618","0.0017","17.525","0.003","73.833","0.003","87.377","0.003","87.482","0.003","1902.9","0.5","168","2","168","2","","","","","","","","5","P -1","-P 1","2","(12a) Zn(DBP)2(MeIm)2","","","- C38.5 H56.5 N4.5 O2 Zn -","- C36 H54 N4 O2 Zn -","- C72 H108 N8 O4 Zn2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0418","0.0353","","","0.0882","0.0908","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000444","17.491","0.005","17.491","0.005","11.197","0.004","90","","90","","90","","3425.7","1.7","168","2","168","2","","","","","","","","4","I 41/a :2","-I 4ad","88","(13) Zn4(OTHF)4(Et)4","","","- C28 H56 O8 Zn4 -","- C28 H56 O8 Zn4 -","- C112 H224 O32 Zn16 -","4","0.25","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.1062","0.0868","","","0.2291","0.2527","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000445","10.719","0.003","11.444","0.002","13.315","0.003","85.567","0.017","87.28","0.02","73.885","0.019","1563.9","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O2 -","- C21 H15 O2 -","- C84 H60 O8 -","4","2","","Tsai, Mu-Lin; Liu, Ching-Yang; Wang, Ya-Yun; Chen, Jao-yu; Chou, Teh-Chang; Lin, Hsiu-Mei; Tsai, Sheng-Heng; Chow, Tahsin J.","Preparation and Luminescence Properties of Polymers Containing Dialkoxyacenes","Chemistry of Materials","2004","16","17","3373","3380","10.1021/cm049431x","","x-ray","0.71073","MoKα","","0.1896","0.0515","","","0.1445","0.2011","","","","","","1.02","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000446","5.4747","0.0002","5.4747","0.0002","28.8137","0.0012","90","","90","","90","","863.61","0.06","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","strontium rhodium oxide","","","- O10 Rh3 Sr4 -","- O10 Rh3 Sr4 -","- O40 Rh12 Sr16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0491072","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000447","5.4935","0.0005","5.4935","0.0005","28.8004","0.0026","90","","90","","90","","869.15","0.14","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","strontium rhodium oxide","","","- O10 Rh3 Sr4 -","- O10 Rh3 Sr4 -","- O40 Rh12 Sr16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm0491072","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000448","11.355","0.002","9.388","0.002","15.734","0.003","90","","105.45","0.03","90","","1616.6","0.5","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F6 N3 P -","- C16 H14 F6 N3 P -","- C64 H56 F24 N12 P4 -","4","1","","Liliana Cristian; Isabelle Sasaki; Pascal G. Lacroix; Bruno Donnadieu; Inge Asselberghs; Koen Clays; Alexandru C. Razus","On the donating strength of azulene in various azulen-1-yl substituted cationic dyes: application in nonlinear optics","Chemistry of Materials","2004","","","","","10.1021/cm0492989","","","0.71073","MoKα","","0.08","0.0379","","","0.0727","0.0841","","","","","","0.912","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000449","12.7486","0.0016","11.4058","0.0015","13.7122","0.0018","90","","116.656","0.013","90","","1781.9","0.4","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 N O3 S -","- C19 H16 F3 N O3 S -","- C76 H64 F12 N4 O12 S4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0492989","","","0.71073","MoKα","","0.1749","0.0698","","","0.1358","0.1723","","","","","","0.947","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000450","7.8976","0.0011","10.8659","0.0016","12.1852","0.0017","88.871","0.017","74.119","0.016","68.934","0.016","934.9","0.2","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F6 N3 P -","- C20 H16 F6 N3 P -","- C40 H32 F12 N6 P2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0492989","","","0.71073","MoKα","","0.0609","0.0359","","","0.0816","0.0907","","","","","","0.955","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000451","11.4181","0.0013","7.5574","0.0008","19.0355","0.0017","90.012","0.008","97.886","0.008","89.994","0.009","1627.1","0.3","293","2","239","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 F6 N4 P -","- C14 H17 F6 N4 P -","- C56 H68 F24 N16 P4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0492989","","","0.71073","MoKα","","0.1013","0.0544","","","0.1363","0.1596","","","","","","0.922","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000452","5.0432","0.0002","7.2468","0.0003","8.3499","0.0004","107.489","0.002","92.444","0.002","109.338","0.002","271.19","0.02","120","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C H6 F Ga O5 P -","- C H6 F Ga O5 P -","- C2 H12 F2 Ga2 O10 P2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049607v","","x-ray","0.71073","MoKα","","","0.0438","","","","0.1201","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000453","4.96726","0.0001","7.08981","0.00015","10.12196","0.00028","92.6981","0.0021","93.1525","0.0018","109.122","0.0015","335.485","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C4 F Ga O4 P -","- C4 F Ga O4 P -","- C8 F2 Ga2 O8 P2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049607v","powder diffraction","","","","","","","","","","","","","3.36","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000454","4.9587","0.0015","7.078","0.002","10.024","0.003","92.404","0.005","92.955","0.005","109.187","0.005","331.19","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6.82 H10.82 F2 Ga2 O8 P2 -","- C6.824 H10.824 F2 Ga2 O8 P2 -","- C6.824 H10.824 F2 Ga2 O8 P2 -","1","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049607v","","x-ray","0.6889","Synchrotron","","0.0324","0.0281","","","0.0736","0.0758","","","","","","1.069","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000455","6.6046","0.0009","11.4419","0.0017","6.0772","0.0007","90","","90","","90","","459.25","0.11","298","2","293","2","","","","","","","","2","P n m m :2","-P 2c 2bc","59","","Molibdenum(iii) bromide","","- Br3 Mo -","- Br3 Mo -","- Br12 Mo4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049235q","","","0.71073","MoKα","","0.0816","0.0405","","","0.0805","0.0909","","","","","","1.176","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000456","6.488","0.0012","11.235","0.003","5.8587","0.0013","90","","90","","90","","427.07","0.16","298","2","293","2","","","","","","","","2","P n m m :2","-P 2c 2bc","59","","Ruthenium(iii) bromide","","- Br3 Ru -","- Br3 Ru -","- Br12 Ru4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049235q","","","0.71073","MoKα","","0.1123","0.055","","","0.1158","0.1427","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000457","6.4875","0.001","6.4875","0.001","5.859","0.001","90","","90","","120","","213.55","0.06","293","2","293","2","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Ruthenium(iii) bromide","","- Br3 Ru -","- Br3 Ru -","- Br6 Ru2 -","2","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049235q","","","0.71073","MoKα","","0.0434","0.0353","","","0.0847","0.1014","","","","","","0.497","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000458","6.4988","0.0011","6.4988","0.0011","5.871","0.002","90","","90","","120","","214.75","0.09","378","2","378","2","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Ruthenium(iii) bromide","","- Br3 Ru -","- Br3 Ru -","- Br6 Ru2 -","2","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm049235q","","","0.71073","MoKα","","0.1456","0.1162","","","0.2479","0.2739","","","","","","1.359","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000459","5.628","0.0011","8.359","0.0017","10.3","0.002","104.65","0.03","105.3","0.03","98.33","0.03","440.39","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C20 H16 N4 S2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm048640e","","","0.71073","MoKα","","0.0403","0.0368","","","0.0974","0.0999","","","","","","1.019","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000460","8.131","0.0016","13.046","0.003","8.349","0.0017","90","","113","0.03","90","","815.2","0.3","120","2","120","2","","","","","","","","1","P 1 2/n 1","-P 2yac","13","","","","- S8 -","- S8 -","- S32 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm048640e","","","0.71073","MoKα","","0.0464","0.031","","","0.07","0.0758","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000461","6.52","0.0013","8.663","0.0017","17.359","0.004","90","","90","","90","","980.5","0.3","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C5 H4 N S -","- C5 H4 N S -","- C40 H32 N8 S8 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm048640e","","","0.71073","MoKα","","0.0327","0.0272","","","0.0637","0.0657","","","","","","1.022","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000462","8.8525","0.0011","8.8525","0.0011","17.327","0.003","90","","90","","120","","1175.9","0.3","293","2","293","2","","","","","","","","6","P 63 c m","P 6c -2","185","","","","- C6 K2 Mg2 N6 O3 S6 -","- C6 K2 Mg2 N6 O3 S6 -","- C12 K4 Mg4 N12 O6 S12 -","2","0.166667","","","","Chemistry of Materials","2004","","","","","10.1021/cm031048p","","","0.71073","MoKα","","0.1035","0.0389","","","0.0595","0.0622","","","","","","0.83","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000463","5.345","0.006","7.722","0.008","22.828","0.017","84.24","0.08","84.18","0.08","78.44","0.1","915.3","1.6","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H33 Cl N2 O -","- C16 H33 Cl N2 O -","- C32 H66 Cl2 N4 O2 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049296o","","","0.71073","MoKα","","0.2407","0.1609","","","0.4089","0.4368","","","","","","1.201","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000464","10.2171","0.0007","8.3349","0.0005","10.3267","0.0007","90","","119.529","0.001","90","","765.18","0.09","296","2","296","2","","","","","synthesized at 170 oC for one week","","","5","P 1 21/n 1","-P 2yn","14","","","","- H6 Ho N O9 S2 -","- H6 Ho N O9 S2 -","- H24 Ho4 N4 O36 S8 -","4","1","","Berta Gomez-Lor; Enrique GutierrezPuebla; M. Angeles Monge; Caridad Ruiz Valero; Natalia Snejko; Concepción Cascales","Catalytic behavior of rare-earth sulfates: applications in organic hydrogenation and oxidation reactions","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","0.0509","0.0373","","0.0916","0.0876","","","","0.984","1.053","1.053","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000465","10.219","0.002","8.3384","0.0014","10.323","0.002","90","","119.482","0.003","90","","765.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H6 N O9 S2 Y -","- H6 N O9 S2 Y -","- H24 N4 O36 S8 Y4 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","0.1356","0.0652","","0.1519","0.1266","","","","0.964","1.095","1.095","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000466","7.5003","0.0017","8.1774","0.0018","9.835","0.002","90","","112.136","0.003","90","","558.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- In Na O7 P2 -","- In Na O7 P2 -","- In4 Na4 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","","0.0354","","","0.0954","0.1034","","","","","","1.067","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000467","7.4173","0.0015","10.407","0.002","8.405","0.0017","90","","106.223","0.003","90","","622.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- In K O7 P2 -","- In K O7 P2 -","- In4 K4 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","","0.0524","","","0.1368","0.1478","","","","","","1.182","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000468","7.5523","0.0001","10.4201","0.0003","8.5026","0.0002","90","","105.433","0.001","90","","644.99","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- In O7 P2 Rb -","- In O7 P2 Rb -","- In4 O28 P8 Rb4 -","4","1","","","","Chemistry of Materials","2004","","","","","","","","0.71073","MoKα","","","0.0376","","","0.0967","0.0984","","","","","","1.146","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000469","7.741","0.014","10.36","0.009","8.597","0.009","90","","104.57","0.04","90","","667.3","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs In O7 P2 -","- Cs In O7 P2 -","- Cs4 In4 O28 P8 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0491330","","","0.71073","MoKα","","0.0211","0.02","","","0.0516","0.0521","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000470","9.6791","0.0005","13.1696","0.0007","27.5957","0.0015","90","","91.585","0.001","90","","3516.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Sn Te5 -","- Ba2 Sn Te5 -","- Ba24 Sn12 Te60 -","12","3","","","","Chemistry of Materials","2004","","","","","10.1021/cm049155m","","","0.71073","MoKα","","0.0823","0.0578","","","0.088","0.0958","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000471","5.3266","0.0004","9.5576","0.0006","15.3294","0.0009","96.841","0.004","92.152","0.004","102.594","0.004","754.59","0.09","220","2","220","2","","","","","","","","3","P -1","-P 1","2","","5,11-dioctyl-6,12-dimethylindolo[3,2-b]carbazole","","- C36 H48 N2 -","- C36 H48 N2 -","- C36 H48 N2 -","1","0.5","","Salem Wakim; Jimmy Bouchard; Michel Simard; Nicolas Drolet; Ye Tao; Mario Leclerc","Organic Micro-Electronics : Design, Synthesis, and Characterizaton of Ladder Oligo(para-aniline)s","Chemistry of Materials","2004","","","","","10.1021/cm049786g","","","1.54178","CuKα","","0.116","0.0871","","","0.2037","0.2251","","","","","","0.936","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000472","13.879","0.003","5.5797","0.0006","22.205","0.004","90","","96.53","0.02","90","","1708.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4',3''''-dihexyl-2,2';5',2'';5'',2''';5''',2'''';5'''',2'''''-sexithiophene","","- C36 H38 S6 -","- C36 H38 S6 -","- C72 H76 S12 -","2","0.5","","Kiriy, Nataliya.; Kiriy, Anton; Stamm, Manfred; Richter, S.; Ploetner, M.; Fisher, W.-J.; Krebs, Frederik C.; Senkovska, I.; Adler, Hans-juergen.","","Chemistry of Materials","2004","","","","","10.1021/cm049686a","","x-ray","0.71073","MoKα","","0.0732","0.0587","","","0.1972","0.2085","","","","","","1.097","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000473","5.3989","0.0004","48.565","0.004","10.5256","0.0009","90","","101.676","0.004","90","","2702.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(12-bromododecyl)thio-4-methylthio-3',4'-ethylenedithio-tetrathiafulvalene","","- C21 H31 Br S8 -","- C21 H31 Br S8 -","- C84 H124 Br4 S32 -","4","1","","Noh, Dong-Youn; Willing, Gerold A.; Han, Catherine Y.; Shin, Kyong-Soon; Geiser, Urs; Wang, H. Hau","BEDT-TTF template crystallization with use of an electron donor molecule with dodecanethiol","Chemistry of Materials","2004","","","","","10.1021/cm049660j","","","0.71073","MoKα","","0.1178","0.0963","","","0.2109","0.2198","","","","","","1.229","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000474","14.086","0.003","20.057","0.004","20.938","0.004","90","","90","","90","","5915","2","193","2","193","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C24 H56 Cl12 N10 Nb6 O2 -","- C24 H50 Cl12 N10 Nb6 O2 -","- C96 H200 Cl48 N40 Nb24 O8 -","4","","","Huajun Zhou; Cynthia S. Day; Abdessadek Lachgar","Assembly of Hybrid Inorganic-Organic Materials from Octahedral Nb6 Clusters and Metal Complexes","Chemistry of Materials","2004","","","","","10.1021/cm049007w","","","0.71073","MoKα","","0.0683","0.0482","","","0.1173","0.127","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000475","23.1512","0.0013","13.0142","0.0007","23.2007","0.0013","90","","90","","90","","6990.2","0.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C46 H52 Cl12 Mn2 N12 Nb6 O4 -","- C46 H52 Cl12 Mn2 N12 Nb6 O4 -","- C184 H208 Cl48 Mn8 N48 Nb24 O16 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049007w","","","0.71073","MoKα","","0.0355","0.027","","","0.0664","0.0696","","","","","","1.055","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000476","13.2271","0.0011","21.8002","0.0018","13.7809","0.001","90","","93.648","0.006","90","","3965.7","0.5","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H84 Cl12 Mn2 N12 Nb6 O8 -","- C58 H41.7 Cl12 Mn2 N12 Nb6 O8 -","- C116 H83.4 Cl24 Mn4 N24 Nb12 O16 -","2","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049007w","","","0.71073","MoKα","","0.0605","0.0378","","","0.0784","0.0862","","","","","","1.028","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000477","7.97914","0.00012","11.20536","0.00018","11.62764","0.00017","90","","109.468","0.0008","90","","980.182","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ga2 La4 O9 -","- Ga2 La4 O9 -","- Ga8 La16 O36 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0487472","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000478","8.00967","0.00015","11.16007","0.00023","11.6426","0.0004","90","","110.106","0.004","90","","977.287","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.35 Ge0.15 La O2.32 -","- Ga0.35 Ge0.15 La O2.32 -","- Ga5.6 Ge2.4 La16 O37.12 -","16","4","","","","Chemistry of Materials","2004","","","","","10.1021/cm0487472","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000479","8.06422","0.00017","11.15783","0.00027","11.691","0.0005","90","","110.175","0.005","90","","987.403","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.35 Ge0.15 La O2.33 -","- Ga0.35 Ge0.15 La O2.325 -","- Ga5.6 Ge2.4 La16 O37.2 -","16","4","","","","Chemistry of Materials","2004","","","","","10.1021/cm0487472","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000480","8.10618","0.0002","11.17474","0.00033","11.7147","0.0006","90","","110.261","0.007","90","","995.508","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.35 Ge0.15 La O2.33 -","- Ga0.35 Ge0.15 La O2.325 -","- Ga5.6 Ge2.4 La16 O37.2 -","16","4","","","","Chemistry of Materials","2004","","","","","10.1021/cm0487472","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000481","3.993","0.005","12.448","0.004","25.119","0.005","90","","90","","90","","1248","1","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Au0.44 I0.88 S4 Se2 -","- C7 H4 Au S4 Se2 -","- C28 H16 Au4 S16 Se8 -","4","0.5","","Kazuo Takimiya","","Chemistry of Materials","2004","","","","","10.1021/cm049144t","","","0.7107","MoKα","","","0.0309","","","","0.038","","","","","","1.422","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000482","7.2258","0.0008","12.2109","0.0012","13.9069","0.0014","110.412","0.003","96.886","0.003","92.829","0.003","1136.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2-bromo-1,3,4-trifluoro-9-hydroxyacridine","","- C13 H5 Br F3 N O -","- C13 H5 Br F3 N O -","- C52 H20 Br4 F12 N4 O4 -","4","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm048867+","","","0.71073","MoKα","","0.0694","0.0363","","","0.0833","0.0978","","","","","","0.999","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000483","7.1417","0.0006","12.2055","0.001","13.7337","0.0012","110.432","0.002","95.879","0.002","92.918","0.002","1111.09","0.16","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","2-bromo-1,3,4-trifluoro-9-hydroxyacridine","","- C13 H5 Br F3 N O -","- C13 H5 Br F3 N O -","- C52 H20 Br4 F12 N4 O4 -","4","2","","","","Chemistry of Materials","2004","","","","","10.1021/cm048867+","","","0.71073","MoKα","","0.0313","0.0272","","","0.0725","0.0747","","","","","","0.899","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000484","9.64","0.02","9.64","0.02","7.08","0.02","90","","90","","120","","571","2","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Ce8.67 F0.67 Na1.33 O25.33 Si6 -","- Ce8.68 F0.68 Na1.32 O25.32 Si6 -","- Ce8.68 F0.68 Na1.32 O25.32 Si6 -","1","0.0833333","","","","Chemistry of Materials","2004","","","","","10.1021/cm048402j","","","0.71069","MoKα","","0.0509","0.0262","","","0.0576","0.0616","","","","","","1.126","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000485","7.42757","0.00003","7.42757","0.00003","7.42757","0.00003","90","","90","","90","","409.769","0.004","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Strontium copper titanium oxide","","- Cu3 O12 Sr Ti4 -","- Cu2.946 O12 Sr0.946 Ti4.054 -","- Cu5.892 O24 Sr1.892 Ti8.108 -","2","0.0416667","","Li, J; Subramanianb, M A; Rosenfeldb, H D; Jones, C Y; Toby, B H; Sleight, A W","","Chemistry of Materials","2004","","","","","10.1021/cm048345u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000486","13.27","0.002","6.629","0.001","10.866","0.001","90","","90","","90","","955.8","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- As F Fe H4 N O4 -","- As F Fe N O4 -","- As8 F8 Fe8 N8 O32 -","8","2","","Bazán, B.; Mesa, J.L.; Pizarro, J.L.; Rodríguez-Fernández, J.; Sánchez Marcos, J.; Roig, A.; Molins, E.; Arriortua, M.I.; Rojo, T.","Thermal transformation of (NH4)[Fe(AsO4F] Into The New Textural Porous Orthorhombic Fe(AsO4) Phase. Crystal Structures, Thermal Behavior, Spectroscopic and Magnetic Properties. CM040161S","Chemistry of Materials","2004","","","","","10.1021/cm040161s","","","0.71073","MoKα","","0.0257","0.0219","","","0.0543","0.0555","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000487","13.468","0.002","6.5255","0.0011","10.7678","0.0018","90","","90","","90","","946.3","0.3","293","2","293","2","","","","","","","","3","I m a m","-I 2c 2","74","","","","- As Fe O4 -","- As Fe O4 -","- As12 Fe12 O48 -","12","0.75","","","","Chemistry of Materials","2004","","","","","10.1021/cm040161s","","","0.71073","MoKα","","0.0221","0.0177","","","0.0404","0.0415","","","","","","1.002","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000488","30.4457","0.0013","11.354","0.0005","11.5836","0.0005","90","","106.539","0.001","90","","3838.6","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Co N3 O8 V2 -","- C15 H12 Co N3 O8.019 V2 -","- C120 H96 Co8 N24 O64.152 V16 -","8","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049071d","","","0.71073","MoKα","","0.0447","0.0404","","","0.1232","0.1259","","","","","","1.161","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000489","8.1517","0.0004","8.5794","0.0004","10.1233","0.0005","87.017","0.001","75.961","0.001","75.174","0.001","663.94","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Co N2 O6 V2 -","- C10 H8 Co N2 O6 V2 -","- C20 H16 Co2 N4 O12 V4 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049071d","","","0.71073","MoKα","","0.0252","0.0242","","","0.0662","0.0669","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000490","15.267","0.003","8.7932","0.0015","16.438","0.003","90","","114.405","0.003","90","","2009.5","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H56 N2 O9 S2 -","- C39 H42 N2 O9 S2 -","- C78 H84 N4 O18 S4 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0489845","","","0.71073","MoKα","","0.076","0.0466","","","0.1129","0.1227","","","","","","0.899","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000491","8.1217","0.0006","8.9601","0.0006","10.4611","0.0008","111.93","0.001","103.655","0.001","101.903","0.001","648.59","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3.25 H2.75 F Ga2.5 N1.5 O11 P2 -","- C3.25 F Ga2.5 N1.5 O11 P2 -","- C6.5 F2 Ga5 N3 O22 P4 -","2","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm048820o","","","0.71073","MoKα","","0.0764","0.0598","","","0.1568","0.1654","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000492","5.6267","0.001","23.134","0.008","8.082","0.002","90","","105.215","0.018","90","","1015.1","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C36 H60 N4 O24 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0489385","","","0.71073","MoKα","","0.076","0.045","","","0.104","0.113","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000493","10.2826","0.0016","12.6977","0.0019","17.864","0.003","90","","102.761","0.003","90","","2274.8","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","scandium fluorophosphate","","","- C6 H22 F2 N2 O20 P4 Sc4 -","- C5.997 H22 F2 N1.997 O20 P4 Sc4 -","- C23.988 H88 F8 N7.988 O80 P16 Sc16 -","4","1","","","Crystal structure of (C6H14N2)Sc4F2(PO4)4.4H2O","Chemistry of Materials","2004","","","","","10.1021/cm048764r","","","0.71073","MoKα","","0.0605","0.0418","","","0.0981","0.1065","","","","","","1.06","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000494","10.28","0.002","12.7","0.003","17.86","0.004","90","","102.47","0.03","90","","2276.7","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Indium Fluorophosphate","","","- C6 H22 F2 In4 N2 O20 P4 -","- C6 H22 F2 In4 N2 O20 P4 -","- C24 H88 F8 In16 N8 O80 P16 -","4","1","","","Crystal structure of (C6H14N2)In4F2(PO4)4.4H2O","Chemistry of Materials","2004","","","","","10.1021/cm048764r","","","0.71073","MoKα","","0.0574","0.0395","","","0.0897","0.0977","","","","","","0.994","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000495","10.9241","0.0004","7.1691","0.0005","15.8491","0.001","90","","106.598","0.002","90","","1189.52","0.12","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","C24H12 + C12H4N4","","- C36 H16 N4 -","- C36 H16 N4 -","- C72 H32 N8 -","2","0.5","","X.Chi; C. Besnard; V. K. Thorsmolle; V. Y. Butko; A. P. Ramirez","Structure and transport properties of the charge transfer salt Coronene-TCNQ","Chemistry of Materials","2004","","","","","10.1021/cm049187+","","","0.902","synchrotron","","0.0414","0.0373","","0.0926","0.0917","0.0926","","","","","","0.871","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000496","7.8171","0.0007","13.4926","0.0012","17.3708","0.0016","90","","96.545","0.002","90","","1820.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 In N2 O7 -","- C21 H13 In N2 O7 -","- C84 H52 In4 N8 O28 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000497","7.1959","0.0002","9.7542","0.0003","12.8326","0.0004","90","","90","","90","","900.72","0.05","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Co3 H6 O12 S2 -","- Co3 H6 O12 S2 -","- Co12 H24 O48 S8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm047790m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000498","27.646","0.002","27.646","0.002","17.0885","0.0014","90","","90","","90","","13060.8","1.8","293","2","293","2","","","","","","","","7","I -4 2 m","I -4 2","121","","","","- C4.5 H15 F2 Ge6.44 N1.5 O17 Si0.56 -","- C4.5 H15.5 F2 Ge6.438 N1.5 O17 Si0.57 -","- C72 H248 F32 Ge103.008 N24 O272 Si9.12 -","16","1","","Tang, Liqiu; Dadachov, Mike S.; Zou, Xiaodong","SU-12: A Silicon-Substituted ASU-16 with Circular 24-Rings and Templated by a Monoamine","Chemistry of Materials","2005","17","10","2530","2536","10.1021/cm049373f","","","0.71073","MoKα","","0.057","0.0512","","","0.143","0.1487","","","","","","1.078","","","","has coordinates","178240","2020-10-21","18:00:00",""
"4000499","7.0538","0.0005","7.0538","0.0005","12.9625","0.0014","90","","90","","120","","558.55","0.08","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H2 La Na O9 S2 -","- H2 La Na O9 S2 -","- H6 La3 Na3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0471","0.0362","","","0.0694","0.0722","","","","","","0.961","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000500","6.8816","0.0006","6.8816","0.0006","12.7702","0.0017","90","","90","","120","","523.73","0.1","296","2","296","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- Gd H2 Na O9 S2 -","- Gd H2 Na O9 S2 -","- Gd3 H6 Na3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0707","0.0519","","","0.0868","0.0908","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000501","6.968","0.002","6.968","0.002","12.856","0.006","90","","90","","120","","540.6","0.4","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H2 Na Nd O9 S2 -","- H2 Na Nd O9 S2 -","- H6 Na3 Nd3 O27 S6 -","3","0.5","","Josefina Perles; Carlos Fortes-Revilla; Enrique Gutiérrez-Puebla; Marta Iglesias; M. Ángeles Monge; Caridad Ruiz-Valero; Natalia Snejko","Synthesis, Structure, and Catalytic Properties of Rare-Earth Ternary Sulfates","Chemistry of Materials","2005","17","10","2701","2706","10.1021/cm049451z","","","0.71073","MoKα","","0.0379","0.0313","","","0.0542","0.0554","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000502","9.7739","0.001","9.7739","0.001","7.9456","0.0014","90","","90","","120","","657.34","0.15","298","2","","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 La0.72 O12 Sc2.71 Y0.57 -","- B4 La0.72 O12 Sc2.7099 Y0.5701 -","- B12 La2.16 O36 Sc8.1297 Y1.7103 -","3","0.166667","","Ye, Ning; Stone-Sundberg, Jennifer L.; Hruschka, Michael A.; Aka, Gerard; Kong, Wei; Keszler, Douglas A.","Nonlinear Optical Crystal Y~x~La~y~Sc~z~(BO~3~)~4~ (x + y + z = 4)","Chemistry of Materials","2005","17","10","2687","2692","10.1021/cm050090c","","","0.71069","MoKα","","","0.0296","","","","0.0815","","","","","","1.081","","","","has coordinates","178239","2020-10-21","18:00:00",""
"4000503","12.8458","0.001","4.6186","0.001","12.5128","0.001","90","","90","","90","","742.38","0.18","293","2","293","","","","","","","","","3","P m n a","-P 2ac 2","53","Trierbiumpentaborate","Trierbiumpentaborate","","- B5 Er3 O12 -","- B5 Er3 O12 -","- B20 Er12 O48 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0464","0.0252","","","0.0571","0.0651","","","","","","1.033","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000504","26.865","0.007","26.865","0.007","26.865","0.007","90","","90","","90","","19390","9","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C48 H48 N6 Nd3 O33 -","- C48 H17.88 N5.94 Nd3 O33 -","- C384 H143.04 N47.52 Nd24 O264 -","8","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm050526o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000505","4.70557","","4.70557","","3.15451","","90","","90","","90","","69.848","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- Fe0.26 O4 Sb0.26 Sn1.48 -","- Fe0.26 O4 Sb0.26 Sn1.48 -","- Fe0.26 O4 Sb0.26 Sn1.48 -","1","0.0625","","Govorov, V. A.; Abakumov, A. M.; Rozova, M. G.; Borzenko, A. G.; Vassiliev, S. Yu.; Mazin, V. M.; Afanasov, M. I.; Fabritchnyi, P. B.; Tsirlina, G. A.; Antipov, E. V.; Morozova, E. N.; Gippius, A. A.; Ivanov, V. V.; Tendeloo, G. Van","Sn~2-2x~Sb~x~Fe~x~O~4~ Solid Solutions as Possible Inert Anode Materials in Aluminum Electrolysis","Chemistry of Materials","2005","17","11","3004","3011","10.1021/cm048145i","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000506","17.8461","0.0006","9.9884","0.0004","18.453","0.0007","90","","117.395","0.001","90","","2920.44","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H19 N3 O12 P2 V2 -","- C4 H16.5 N3 O12 P2 V2 -","- C32 H132 N24 O96 P16 V16 -","8","2","","","","Chemistry of Materials","2005","","","","","10.1021/cm050185e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000507","11.411","0.0009","10.1948","0.0008","17.9768","0.0014","90","","104.019","0.001","90","","2029","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H29 N3 O13 P2 V2 -","- C9 H29 N3 O13 P2 V2 -","- C36 H116 N12 O52 P8 V8 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050185e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000508","13.151","0.002","10.9634","0.0019","18.312","0.003","90","","96.939","0.004","90","","2620.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H35 N2 O16 P2 V3 -","- C13 H25 N2 O16 P2 V3 -","- C52 H100 N8 O64 P8 V12 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050185e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000509","16.3569","0.0003","16.3569","0.0003","36.1381","0.0015","90","","90","","90","","9668.7","0.5","294","2","294","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C26 H61.5 K0.5 N4 O26 P4 V5 -","- C26 H54 K0.5 N4 O26 P4 V5 -","- C208 H432 K4 N32 O208 P32 V40 -","8","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050185e","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000510","7.7286","0.0002","7.5874","0.0002","17.9816","0.0003","90","","98.214","0.001","90","","1043.62","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Fe2 N O9 P -","- C5 H7 Fe2 N O9 P -","- C20 H28 Fe8 N4 O36 P4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501968","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000511","13.136","0.001","20.139","0.002","41.03","0.003","90","","93.443","0.001","90","","10834.7","1.7","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H168 Mo12 N4 O40 Si -","- C76 H168 Mo12 N4 O40 Si -","- C304 H672 Mo48 N16 O160 Si4 -","4","1","","Nyman, May; Ingersoll, David; Singh, Seema; Bonhomme, François; Alam, Todd M.; Brinker, C. Jeffrey; Rodriguez, Mark A.","Comparative Study of Inorganic Cluster‒Surfactant Arrays","Chemistry of Materials","2005","17","11","2885","2895","10.1021/cm0503174","","","","","","","","","","","","","","","","","","","","","has coordinates","180549","2020-10-21","18:00:00",""
"4000512","15.216","0.005","3.4631","0.0011","15.057","0.005","90","","90","","90","","793.5","0.4","175","5","175","5","","","","","","","","4","P n m a","-P 2ac 2n","62","Thallium Nickel Titanium Sulfide","","","- Ni4 S20 Ti8 Tl6.69 -","- Ni4 S20 Ti8 Tl6.688 -","- Ni4 S20 Ti8 Tl6.688 -","1","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000513","6.431","0.0014","7.5002","0.0016","12.124","0.003","100.553","0.005","93.735","0.005","113.451","0.004","521.2","0.19","175","5","175","5","","","","","","","","4","P -1","-P 1","2","Thallium Indium Phosphorus Selenide","","","- In P2 Se6 Tl -","- In P2 Se6 Tl -","- In2 P4 Se12 Tl2 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000514","11.495","0.002","7.1318","0.0014","19.172","0.004","90","","90","","90","","1571.8","0.5","175","5","175","5","","","","","","","","4","P b c a","-P 2ac 2ab","61","Thallium Lanthanum Germanium Selenide","","","- Ge La Se4 Tl -","- Ge La Se4 Tl -","- Ge8 La8 Se32 Tl8 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000515","6.228","0.005","7.04","0.005","9.012","0.006","106.241","0.013","97.63","0.02","91.926","0.016","375","0.5","175","5","175","5","","","","","","","","4","P -1","-P 1","2","Thallium Titanium Phosphorus Sulfide","","","- P S5 Ti Tl -","- P S5 Ti Tl -","- P2 S10 Ti2 Tl2 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000516","8.539","0.003","8.539","0.003","7.391","0.003","90","","90","","90","","538.9","0.3","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Silver Tin Telluride","","","- Ag4.06 Sn2 Te8 Tl4 -","- Ag4.06 Sn2 Te8 Tl4 -","- Ag4.06 Sn2 Te8 Tl4 -","1","0.0625","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000517","12.164","0.002","7.123","0.0014","8.2703","0.0017","90","","120.178","0.003","90","","619.5","0.2","175","5","175","5","","","","","","","","4","C 1 2/m 1","-C 2y","12","Thallium Gold Phosphorus Selenide","","","- Au P Se3 Tl -","- Au P Se3 Tl -","- Au4 P4 Se12 Tl4 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000518","11.4513","0.0007","11.4513","0.0007","20.071","0.003","90","","90","","90","","2632","0.5","175","5","175","5","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","Thallium Gold Tin Selenide","","","- Au Se3 Sn Tl -","- Au Se3 Sn Tl -","- Au16 Se48 Sn16 Tl16 -","16","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000519","22.964","0.007","6.694","0.002","18.472","0.006","90","","121.199","0.005","90","","2429","1.3","175","5","175","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thallium Bismuth Phosphorus Sulfide","","","- Bi P2 S7 Tl2 -","- Bi P2 S7 Tl2 -","- Bi8 P16 S56 Tl16 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000520","9.2695","0.0015","6.6748","0.0011","19.639","0.003","90","","98.2","0.005","90","","1202.7","0.3","175","5","175","5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thallium Cerium Phosphorus Sulfide","","","- Ce P2 S7 Tl2 -","- Ce P2 S7 Tl2 -","- Ce4 P8 S28 Tl8 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000521","7.494","0.002","9.283","0.003","8.522","0.002","90","","90.204","0.006","90","","592.8","0.3","175","5","175","5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thallium Copper Phosphorus Selenide","","","- Cu P Se3 Tl -","- Cu P Se3 Tl -","- Cu4 P4 Se12 Tl4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000522","5.3794","0.0011","11.268","0.002","13.413","0.003","90","","90","","90","","813","0.3","175","5","175","5","","","","","","","","4","I b a m","-I 2 2c","72","Thallium Copper Tin Sulfide","","","- Cu2 S4 Sn Tl2 -","- Cu2 S4 Sn Tl2 -","- Cu8 S16 Sn4 Tl8 -","4","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000523","8.382","0.003","8.382","0.003","7.118","0.003","90","","90","","90","","500.1","0.3","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Copper Tin Telluride","","","- Cu2 Sn Te4 Tl2 -","- Cu2 Sn Te4 Tl2 -","- Cu4 Sn2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000524","4.344","0.006","4.344","0.006","23.43","0.06","90","","90","","120","","382.9","1.2","173","2","175","5","","","","","","","","4","R -3 m :H","-R 3 2""","166","Thallium Zirconium Tin Telluride","","","- Sn1.62 Te6 Tl3 Zr1.38 -","- Sn1.62 Te6 Tl3 Zr1.38 -","- Sn1.62 Te6 Tl3 Zr1.38 -","1","0.0277778","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000525","9.575","0.002","13.172","0.003","14.998","0.004","90","","96.675","0.005","90","","1878.8","0.8","175","5","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thallium Niobium Copper Selenide","","","- Cu Nb2 Se12 Tl3 -","- Cu Nb2 Se12 Tl3 -","- Cu4 Nb8 Se48 Tl12 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000526","22.5661","0.0016","6.0324","0.0007","20.295","0.0017","90","","105.662","0.003","90","","2660.1","0.4","175","5","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thallium Titanium Phosphorus Sulfide","","","- P10 S36 Ti4 Tl6 -","- P10 S36 Ti4 Tl6 -","- P20 S72 Ti8 Tl12 -","2","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000527","12.951","0.004","12.951","0.004","13.821","0.006","90","","90","","120","","2007.6","1.2","175","5","175","5","","","","","","","","4","P 3 1 c","P 3 -2c","159","Thallium Silver Titanium Selenide","","","- Ag Se27 Ti6 Tl5 -","- Ag Se27 Ti6 Tl5 -","- Ag2 Se54 Ti12 Tl10 -","2","0.333333","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000528","14.268","0.005","4.1374","0.0014","24.942","0.008","90","","94.422","0.007","90","","1468","0.9","175","5","175","5","","","","","","","","4","P 1 2/m 1","-P 2y","10","Thallium Antimony Copper Selenide","","","- Cu8 Sb11.5 Se27 Tl11.5 -","- Cu8 Sb11.5 Se27 Tl11.5 -","- Cu8 Sb11.5 Se27 Tl11.5 -","1","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050412c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000529","27.028","0.006","27.028","0.006","27.028","0.006","90","","90","","90","","19744","8","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C48 H50 N7 O35 Pr3 -","- C48 H6 N6.94 O35.02 Pr3 -","- C384 H48 N55.52 O280.16 Pr24 -","8","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm050526o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000530","4.66455","","4.66455","","3.10913","","90","","90","","90","","67.649","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- Fe0.66 O4 Sb0.66 Sn0.68 -","- Fe0.66 O4 Sb0.66 Sn0.68 -","- Fe0.66 O4 Sb0.66 Sn0.68 -","1","0.0625","","Govorov, V. A.; Abakumov, A. M.; Rozova, M. G.; Borzenko, A. G.; Vassiliev, S. Yu.; Mazin, V. M.; Afanasov, M. I.; Fabritchnyi, P. B.; Tsirlina, G. A.; Antipov, E. V.; Morozova, E. N.; Gippius, A. A.; Ivanov, V. V.; Tendeloo, G. Van","Sn~2-2x~Sb~x~Fe~x~O~4~ Solid Solutions as Possible Inert Anode Materials in Aluminum Electrolysis","Chemistry of Materials","2005","17","11","3004","3011","10.1021/cm048145i","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000531","12.5","0.02","14.17","0.01","15.8","0.02","62.01","0.09","82.3","0.1","76.7","0.1","2405.1","0.5","193.1","","","","","","","","","","","5","P -1","-P 1","2","A dizinc complex of tBu-salen with methanol","","","- C49 H64 N4 O5 Zn2 -","- C49 H64 N4 O5 Zn2 -","- C98 H128 N8 O10 Zn4 -","2","1","","Mizukami, Shin; Houjou, Hirohiko; Sugaya, Kenta; Koyama, Emiko; Tokuhisa, Hideo; Sasaki, Takeshi; Kanesato, Masatoshi","Fluorescence Color Modulation by Intramolecular and Intermolecular π‒π Interactions in a Helical Zinc(II) Complex","Chemistry of Materials","2005","17","1","50","56","10.1021/cm049744s","","","0.7107","MoKα","","","0.076","","","","0.185","","","","","","1.142","","","","has coordinates","178237","2020-10-21","18:00:00",""
"4000532","9.5286","0.0008","10.1451","0.0008","12.5796","0.001","86.429","0.001","69.606","0.001","62.338","0.001","1002.27","0.14","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H18 Ga2 Mn N3 O20 P3 -","- C8 H18 Ga2 Mn N3 O20 P3 -","- C16 H36 Ga4 Mn2 N6 O40 P6 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000533","8.1452","0.0008","8.9029","0.0009","10.4452","0.001","111.437","0.002","103.734","0.002","102.096","0.002","647.06","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C7 H24 F2 Ga4 Mn N2 O25 P4 -","- C8 F2 Ga4 Mn N2 O24 P4 -","- C8 F2 Ga4 Mn N2 O24 P4 -","1","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000534","18.9522","0.0012","15.9644","0.001","9.0028","0.0006","90","","97.927","0.001","90","","2697.9","0.3","294","2","294","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C5.5 H25.5 F2 Ga4 Mn N1.5 O27 P4 -","- C5 F2 Ga4 Mn O22 P4 -","- C20 F8 Ga16 Mn4 O88 P16 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000535","8.2932","0.0004","9.0002","0.0005","10.1814","0.0005","82.415","0.001","81.08","0.001","78.572","0.001","731.83","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H32 Ga2 N4 O24 P4 V2 -","- C11.994 H20 Ga2 N4 O24 P4 V2 -","- C11.994 H20 Ga2 N4 O24 P4 V2 -","1","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000536","15.8224","0.0007","9.0385","0.0004","17.4504","0.0008","90","","90","","90","","2495.59","0.19","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H24 Ga2 N4 O22 P4 V2 -","- C8 H24 Ga2 N4 O22 P4 V2 -","- C32 H96 Ga8 N16 O88 P16 V8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm049411v","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000537","15.307","0.006","19.782","0.006","16.817","0.007","90","","99.73","0.04","90","","5019","0.3","193.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 N4 O5 Zn2 -","- C52 H68 N4 O5 Zn2 -","- C208 H272 N16 O20 Zn8 -","4","1","","Mizukami, Shin; Houjou, Hirohiko; Sugaya, Kenta; Koyama, Emiko; Tokuhisa, Hideo; Sasaki, Takeshi; Kanesato, Masatoshi","Fluorescence Color Modulation by Intramolecular and Intermolecular π‒π Interactions in a Helical Zinc(II) Complex","Chemistry of Materials","2005","17","1","50","56","10.1021/cm049744s","","","0.7107","MoKα","","","0.049","","","","0.101","","","","","","0.811","","","","has coordinates","178237","2020-10-21","18:00:00",""
"4000538","10.163","0.002","16.856","0.003","26.189","0.005","90","","93.44","0.03","90","","4478.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Fe2 O8 Zn -","- C32 H72 Fe2 O8 Zn -","- C128 H288 Fe8 O32 Zn4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm0401802","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000539","15.089","0.003","5.4096","0.0011","8.0336","0.0016","90","","93.31","0.03","90","","654.7","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H8 Ag2 N2 O6 S2 -","- C10 H8 Ag2 N2 O6 S2 -","- C20 H16 Ag4 N4 O12 S4 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm048471y","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000540","9.0026","0.0004","3.0461","0.0002","10.7268","0.0005","90","","90","","90","","294.16","0.03","","","","","","","","","Prepared at 6 GPa and 1500C for 1hr","Prepared at 6 GPa","","3","P n m a","-P 2ac 2n","62","","","","- Na O4 Rh2 -","- Na O4 Rh2 -","- Na4 O16 Rh8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0483846","","","","","","","","","","","","","","","","","","","","","has coordinates","208200","2020-10-21","18:00:00",""
"4000541","5.257","0.0006","11.4464","0.0014","11.561","0.0014","101.616","0.002","99.158","0.002","98.701","0.002","660.54","0.14","93","","173","2","","","","","","","","3","P -1","-P 1","2","Tin(II) Pyrophosphate","Tin(II) Pyrophosphate","","- O28 P8 Sn8 -","- O7 P2 Sn2 -","- O28 P8 Sn8 -","4","2","","Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.","Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~","Chemistry of Materials","2005","17","2","284","290","10.1021/cm048463h","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000542","5.2776","0.0005","11.5413","0.0012","11.636","0.0012","102.911","0.008","99.303","0.008","98.899","0.008","668.2","0.12","293","","293","","","","","","","","","3","P -1","-P 1","2","Tin(II) Pyrophosphate","Tin(II) Pyrophosphate","","- O28 P8 Sn8 -","- O7 P2 Sn2 -","- O28 P8 Sn8 -","4","2","","Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.","Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~","Chemistry of Materials","2005","17","2","284","290","10.1021/cm048463h","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000543","7.1765","0.0004","9.2874","0.0006","5.2968","0.0004","90","","106.034","0.0032","90","","339.3","0.05","773","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tin(II) pyrophosphate","Tin(II) pyrophosphate","","- O7 P2 Sn2 -","- O7 P2 Sn2 -","- O14 P4 Sn4 -","2","0.5","","Chernaya, Victoria V.; Mitiaev, Alexander S.; Chizhov, Pavel S.; Dikarev, Evgeny V.; Shpanchenko, Roman V.; Antipov, Evgeny V.; Korolenko, Mikhail V.; Fabritchnyi, Pavel B.","Synthesis and Investigation of Tin(II) Pyrophosphate Sn~2~P~2~O~7~","Chemistry of Materials","2005","17","2","284","290","10.1021/cm048463h","","","","","","","","","","","","","","","","","","","","","has coordinates","270063","2021-10-23","03:58:30",""
"4000544","9.0354","0.0003","3.034","0.0001","10.7062","0.0003","90","","90","","90","","293.49","0.02","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca O4 Rh2 -","- Ca O4 Rh2 -","- Ca4 O16 Rh8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0483846","","","","","","","","","","","","","","","","","","","","","has coordinates","208200","2020-10-21","18:00:00",""
"4000545","10.5407","0.0002","6.4298","0.0002","10.6172","0.0003","90","","113.89","0.001","90","","657.93","0.03","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H5 Fe0.5 N O3 P -","- C5 H5 Fe0.5 N O3 P -","- C20 H20 Fe2 N4 O12 P4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm049064p","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000546","11.0337","0.0005","7.1902","0.0003","13.5445","0.0006","90","","90.943","0.001","90","","1074.4","0.08","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 B2 F8 Li2 O6 -","- C12 H28 B2 F8 Li2 O6 -","- C24 H56 B4 F16 Li4 O12 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm048310u","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000547","5.19183","0.00012","5.19183","0.00012","12.9927","0.0004","90","","90","","90","","350.22","0.01","295","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","Iron phosphate hydroxide","","","- Fe1.375 O5 P -","- Fe1.3752 O5 P -","- Fe5.5008 O20 P4 -","4","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm049406r","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000548","8.6126","0.0001","8.6126","0.0001","6.2444","0.0001","90","","90","","90","","463.2","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.639 O4 Pb1.186 Sb1.175 -","- Mn0.639 O4 Pb1.186 Sb1.175 -","- Mn2.556 O16 Pb4.744 Sb4.7 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000549","8.64111","0.00008","8.64111","0.00008","6.07624","0.00008","90","","90","","90","","453.7","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.92 O4 Pb0.44 Sb1.64 -","- Mn0.92 O4 Pb0.44 Sb1.64 -","- Mn3.68 O16 Pb1.76 Sb6.56 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000550","8.62028","0.00009","8.62028","0.00009","6.1609","0.0001","90","","90","","90","","457.8","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.77 O4 Pb0.75 Sb1.48 -","- Mn0.77 O4 Pb0.75 Sb1.48 -","- Mn3.08 O16 Pb3 Sb5.92 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000551","8.60767","0.00008","8.60767","0.00008","6.23142","0.00007","90","","90","","90","","461.7","","","","","","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Antimony Lead Manganese Oxide","","- Mn0.67 O4 Pb1.07 Sb1.26 -","- Mn0.67 O4 Pb1.07 Sb1.26 -","- Mn2.68 O16 Pb4.28 Sb5.04 -","4","0.25","","Abakumov, Artem M.; Rozova, Marina G.; Antipov, Evgeny V.; Hadermann, Joke; Van Tendeloo, Gustaaf; Lobanov, Maxim V.; Greenblatt, Martha; Croft, Mark; Lokshin, Konstantin A.; Zhao, Yusheng","","Chemistry of Materials","2005","","","","","10.1021/cm048791h","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000552","5.18029","0.00008","5.18029","0.00008","13.0341","0.0003","90","","90","","90","","349.78","0.01","295","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","Iron phosphate hydroxide","","","- Fe1.176 O5 P -","- Fe1.176 O5 P -","- Fe4.704 O20 P4 -","4","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm049406r","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000553","9.8","0.001","9.8","0.001","7.3193","0.0008","90","","90","","120","","608.77","0.11","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- Ba4 F2 La6 Na0 O24 Si6 -","- Ba3.98 F2 La6.02 O24 Si6 -","- Ba3.98 F2 La6.02 O24 Si6 -","1","0.0833333","","","","Chemistry of Materials","2005","","","","","10.1021/cm048140l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000554","10.078","0.004","13.22","0.01","9.756","0.008","90","","111.36","0.03","90","","1210.6","1.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Cis,cis-2,5-Diphenyl-1,4-distyrylbenzene","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","0.5","","Zengqi Xie; Bing Yang; Gang Cheng; Dong Lin; Linlin Liu; Feng He; Yuguang Ma; Shiyong Liu","Supramolecular Interactions Induced Fluorescence in Crystal: Anomalous Emission of 2,5-Diphenyl-1,4-distyrylbenzene with all cis Double Bonds","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000555","9.524","0.004","9.283","0.004","11.969","0.005","90","","92.26","0.03","90","","1057.3","0.8","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H16 F6 -","- C28 H16 F6 -","- C56 H32 F12 -","2","0.5","","Shinji Ando; Jun-ichi Nishida; Eiichi Fujiwara; Hirokazu Tada; Youji Inoue; Shizuo Tokito; Yoshiro Yamashita","Novel p-and n-Type Organic Semiconductors with an Anthracene Unit","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000556","16.009","0.004","16.009","0.004","21.785","0.009","90","","90","","120","","4835","2","296.1","","","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 Cr6 N4 O100 P2 W18 -","- C12 Cr6 N4.02 O100 P2 W18 -","- C24 Cr12 N8.04 O200 P4 W36 -","2","0.166667","","Uchida, Sayaka; Kawamoto, Ryosuke; Akatsuka, Takeo; Hikichi, Shiro; Mizuno, Noritaka","Structures and Sorption Properties of Ionic Crystals of Macrocation-Dawson-Type Polyoxometalates with Different Charges","Chemistry of Materials","2005","17","6","1367","1375","10.1021/cm047879s","","","0.7107","MoKα","","","0.042","","","","0.045","","","","","","1.128","","","","has coordinates","178241","2020-10-21","18:00:00",""
"4000557","12.3765","0.0015","7.8142","0.0009","7.733","0.0009","90","","98.867","0.002","90","","738.94","0.15","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Ho2.5 Si7 -","- Co2 Ho2.5 Si7 -","- Co8 Ho10 Si28 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047959w","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000558","12.314","0.0016","7.778","0.001","7.7053","0.001","90","","98.815","0.002","90","","729.28","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co4 Si14 Tm5 -","- Co4 Si14 Tm5 -","- Co8 Si28 Tm10 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm047959w","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000559","12.2552","0.0006","7.7537","0.0007","7.673","0.0011","90","","98.946","0.007","90","","720.24","0.13","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Si7 Yb2.5 -","- Co2 Si7 Yb2.5 -","- Co8 Si28 Yb10 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047959w","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000560","8.7736","0.0003","19.1568","0.0006","15.7834","0.0005","90","","100.106","0.001","90","","2611.62","0.15","150","1","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H50 Cl8 N4 O14 Pd -","- C43 H50 Cl8 N4 O14 Pd -","- C86 H100 Cl16 N8 O28 Pd2 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0483691","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000561","12.337","0.002","7.799","0.0014","7.7144","0.0015","90","","98.89","0.003","90","","733.3","0.2","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Co2 Er2.5 Si7 -","- Co2 Er2.5 Si7 -","- Co8 Er10 Si28 -","4","1","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000562","8.3887","0.0006","8.3887","0.0006","8.0804","0.0008","90","","90","","120","","492.44","0.07","293","2","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K0.96 Na1.04 O7 -","- Al2 B2 K0.959 Na1.041 O6.99 -","- Al6 B6 K2.877 Na3.123 O20.97 -","3","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050142y","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000563","5.864","0.0005","9.024","0.001","6.7515","0.0006","90","","90","","90","","357.27","0.06","293","","","","","","","","","","","4","Xmcm(00\g)000","","","","","","- Cd1.3 Li0.4 O4 V -","","","4","","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000564","5.8676","0.0005","9.0327","0.0008","6.745","0.0006","90","","90","","90","","357.49","0.05","293","","","","","","","","","","","4","Xmcm(00\g)000","","","","","","- Cd1.2857 Li0.4286 O4 V -","","","4","","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000565","5.8705","0.001","9.028","0.002","6.7112","0.0006","90","","90","","90","","355.68","0.1","293","","","","","","","","","","","4","Xmcm(00\g)000","","","","","","- Cd1.25 Li0.5 O4 V -","","","4","","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000566","7.1154","0.0007","7.4994","0.0007","8.3375","0.0008","90","","90","","90","","444.9","0.07","298","2","298","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- Ag2 Ba Se4 Sn -","- Ag2 Ba Se4 Sn -","- Ag4 Ba2 Se8 Sn2 -","2","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050102u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000567","11.1215","0.0013","11.2373","0.0013","6.7531","0.0008","90","","90","","90","","843.97","0.17","298","2","298","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Cu2 Se4 Sn -","- Ba Cu2 Se4 Sn -","- Ba4 Cu8 Se16 Sn4 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050102u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000568","6.6246","0.0007","13.6012","0.0014","23.097","0.002","90","","94.723","0.002","90","","2074","0.4","298","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba3 Cu1.94 Se10 Sn3 -","- Ba3 Cu1.941 Se10 Sn3 -","- Ba12 Cu7.764 Se40 Sn12 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050102u","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000569","5.9112","0.0004","8.975","0.0005","6.5135","0.0005","90","","90","","90","","345.56","0.04","293","","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd Li O4 V -","- Cd Li O4 V -","- Cd4 Li4 O16 V4 -","4","0.25","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000570","5.9006","0.0005","9.0001","0.0006","6.5877","0.0003","90","","90","","90","","349.85","0.04","293","1","","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cd1.1111 Li0.7778 O4 V -","- Cd1.1111 Li0.7778 O4 V -","- Cd4.4444 Li3.1112 O16 V4 -","4","0.25","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000571","22.447","0.002","10.947","0.0012","14.6431","0.0015","90","","90","","90","","3598.2","0.6","173","2","","","","","","","","","","7","P n a 21","P 2c -2n","33","","(G1)1:LiBETI","","- C8 H10 F10 Li N O6 S2 -","- C8 H10 F10 Li N O6 S2 -","- C64 H80 F80 Li8 N8 O48 S16 -","8","2","","","","Chemistry of Materials","2005","","","","","10.1021/cm047881j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000572","32.016","0.007","16.227","0.004","19.156","0.005","90","","92.954","0.012","90","","9939","4","98","2","","","","","","","","","","7","C 1 c 1","C -2yc","9","","(G2)2:LiTFSI","","- C14 H28 F6 Li N O10 S2 -","- C14 H28 F6 Li N O10 S2 -","- C224 H448 F96 Li16 N16 O160 S32 -","16","4","","","","Chemistry of Materials","2005","","","","","10.1021/cm047881j","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000573","10.694","0.005","10.846","0.005","23.441","0.007","90","","102.48","0.03","90","","2654.6","1.8","173","2","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(G2)1/2:LiTFSI","","- C20 H28 F24 Li4 N4 O22 S8 -","- C20 H28 F24 Li4 N4 O22 S8 -","- C40 H56 F48 Li8 N8 O44 S16 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm047881j","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000574","9.125","0.003","14.278","0.004","17.443","0.005","88.389","0.005","88.871","0.005","74.54","0.004","2189.5","1","173","2","","","","","","","","","","7","P -1","-P 1","2","","(G3)1:LiBETI","","- C12 H18 F10 Li N O8 S2 -","- C12 H18 F10 Li N O8 S2 -","- C48 H72 F40 Li4 N4 O32 S8 -","4","2","","","","Chemistry of Materials","2005","","","","","10.1021/cm047881j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000575","12.981","0.003","6.1396","0.0012","5.9926","0.0012","90","","90","","90","","477.6","0.16","295","2","295","2","","","","","","","","3","P b c m","-P 2c 2b","57","ytterbium chromium antimonide","ytterbium chromium triantimonide","","- Cr Sb3 Yb -","- Cr Sb3 Yb -","- Cr4 Sb12 Yb4 -","4","0.5","","Crerar, Shane J.; Deakin, Laura; Mar, Arthur","Structure and Physical Properties of Ternary Antimonide YbCr~3~Sb~3~","Chemistry of Materials","2005","17","10","2780","2784","10.1021/cm0506151","","","0.71073","MoKα","","0.071","0.059","","","0.155","0.1613","","","","","","1.173","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000576","12.82","0.003","4.6019","0.0009","12.477","0.003","90","","90","","90","","736.1","0.3","293","2","293","2","","","","","","","","3","P m n a","-P 2ac 2","53","Trituliumpentaborate","Trituliumpentaborate","","- B5 O12 Tm3 -","- B5 O12 Tm3 -","- B20 O48 Tm12 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0642","0.0376","","","0.0922","0.1001","","","","","","0.814","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000577","12.774","0.003","4.5864","0.0009","12.451","0.003","90","","90","","90","","729.5","0.3","293","2","293","2","","","","","","","","3","P m n a","-P 2ac 2","53","Triytterbiumpentaborate","Triytterbiumpentaborate","","- B5 O12 Yb3 -","- B5 O12 Yb3 -","- B20 O48 Yb12 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.067","0.0445","","","0.0982","0.1084","","","","","","1.182","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000578","12.7651","0.0004","4.575","0.0002","12.4418","0.0004","90","","90","","90","","726.605","0.045","200","2","200","2","","","","","","","","3","P m n a","-P 2ac 2","53","Trilutetiumpentaborate","Trilutetiumpentaborate","","- B5 Lu3 O12 -","- B5 Lu3 O12 -","- B20 Lu12 O48 -","4","0.5","","Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert","Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu)","Chemistry of Materials","2005","17","10","2707","2715","10.1021/cm047741+","","","0.71073","MoKα","","0.0566","0.029","","","0.0776","0.085","","","","","","0.957","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000579","13.4904","0.0017","16.202","0.002","17.065","0.002","90","","90","","90","","3729.9","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 In N2 O6 -","- C22 H14 In N2 O6 -","- C176 H112 In8 N16 O48 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000580","13.1446","0.0006","15.4921","0.0008","17.2293","0.0008","90","","100.469","0.001","90","","3450.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 In2 N4 O10 -","- C40 H25 In2 N4 O10 -","- C160 H100 In8 N16 O40 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000581","14.26","0.006","14.184","0.006","18.653","0.008","90","","90","","90","","3773","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H11 In N2 O7.25 -","- C19 H13 In N2 O7.25 -","- C152 H104 In8 N16 O58 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047748r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000582","16.3679","0.0003","16.989","0.0003","18.9093","0.0004","90","","90","","90","","5258.19","0.17","150","1","150","1","","","","","","","","7","P b n 21","P 2c -2ab","33","","","","- C50 H29 B F24 N3 O3 Re -","- C50 H29 B F24 N3 O3 Re -","- C200 H116 B4 F96 N12 O12 Re4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm047794r","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000583","14.325","0.003","21.482","0.004","28.585","0.006","90","","90.4","0.03","90","","8796","3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- La2 Mo2 O9 -","- La2 Mo2 O9 -","- La96 Mo96 O432 -","48","24","","","","Chemistry of Materials","2005","","","","","10.1021/cm050049+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000584","7.1547","0.0001","7.1547","0.0001","7.1547","0.0001","90","","90","","90","","366.25","0.01","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo1.75 O8.96 W0.25 -","- La2 Mo1.75 O8.96 W0.25 -","- La4 Mo3.5 O17.92 W0.5 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000585","7.1589","0.0007","7.1589","0.0007","7.1589","0.0007","90","","90","","90","","366.9","0.1","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo1.5 O8.96 W0.5 -","- La2 Mo1.5 O8.96 W0.5 -","- La4 Mo3 O17.92 W -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000586","7.154","0.0001","7.154","0.0001","7.154","0.0001","90","","90","","90","","366.1","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo1.25 O8.96 W0.75 -","- La2 Mo1.25 O8.96 W0.75 -","- La4 Mo2.5 O17.92 W1.5 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000587","7.1506","0.0001","7.1506","0.0001","7.1506","0.0001","90","","90","","90","","365.6","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo O8.96 W -","- La2 Mo O8.96 W -","- La4 Mo2 O17.92 W2 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000588","7.1459","0.0001","7.1459","0.0001","7.1459","0.0001","90","","90","","90","","364.9","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo0.8 O8.96 W1.2 -","- La2 Mo0.8 O8.96 W1.2 -","- La4 Mo1.6 O17.92 W2.4 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000589","7.1408","0.0001","7.1408","0.0001","7.1408","0.0001","90","","90","","90","","364.1","0","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- La2 Mo0.6 O8.96 W1.4 -","- La2 Mo0.6 O8.96 W1.4 -","- La4 Mo1.2 O17.92 W2.8 -","2","0.166667","","","","Chemistry of Materials","2005","","","","","10.1021/cm0501214","","","","","","","","","","","","","","","","","","","","","has coordinates","208185","2020-10-21","18:00:00",""
"4000590","13.302","0.004","4.0381","0.0011","16.388","0.005","90","","94.347","0.005","90","","877.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag Bi2.66 S5 Sb0.34 -","- Ag Bi2.658 S5 Sb0.34 -","- Ag4 Bi10.632 S20 Sb1.36 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0502931","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000591","13.345","0.003","4.0416","0.0008","16.439","0.003","90","","94.158","0.003","90","","884.3","0.3","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ag Bi3 S5 -","- Ag Bi3 S5 -","- Ag4 Bi12 S20 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0502931","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000592","22.49","0.005","4.8389","0.001","13.824","0.003","90","","99.49","0.03","90","","1483.8","0.5","130","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Guanylurea dicyanamide","","","- C4 H7 N7 O -","- C4 H7 N7 O -","- C32 H56 N56 O8 -","8","1","","Bettina V. Lotsch; Wolfgang Schnick","Thermal Conversion of Guanylurea Dicyanamide into Graphitic Carbon Nitride via Prototype CNx Precursors","Chemistry of Materials","2005","","","","","10.1021/cm050350q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000593","12.5807","0.0013","12.7201","0.0013","13.913","0.0014","90","0.001","108.744","0.002","90","0.002","2108.4","0.4","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- Co2 H4 Mo10 N4 O38 -","- Co Mo5 N2.5 O23 -","- Co4 Mo20 N10 O92 -","4","2","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0503634","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000594","15.7","0.005","13.05","0.005","26.98","0.005","90","0.005","105.713","0.005","90","0.005","5321","3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Co5 Mo5 N5 O14 -","- Co5 Mo10 N9 O54 -","- Co20 Mo40 N36 O216 -","4","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0503634","","","","","","","","","","","","","","","","","","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4000595","8.0012","0.0001","14.1769","0.0002","14.1819","0.0002","108.005","0.0005","99.8834","0.0005","97.6791","0.0005","1476.98","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Bi Br3 S6 -","- C24 H24 Bi Br3 S6 -","- C48 H48 Bi2 Br6 S12 -","2","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm050377+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000596","12.2882","0.0002","12.5597","0.0001","13.065","0.0002","71.5783","0.0005","86.4844","0.0004","68.5989","0.0005","1777.84","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Bi2 Br6 S6 -","- C24 H24 Bi2 Br6 S6 -","- C48 H48 Bi4 Br12 S12 -","2","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm050377+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000597","8.9547","0.0001","14.8258","0.0001","16.5651","0.0002","103.969","0.0004","100.399","0.0004","94.5313","0.0006","2081.71","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Bi2 Br6 S6 -","- C30 H36 Bi2 Br6 S6 -","- C60 H72 Bi4 Br12 S12 -","2","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm050377+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000598","32.1249","0.0003","16.07","0.0002","22.8463","0.0002","90","","96.4605","0.0003","90","","11719.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H112 Bi4 Br12 S12 -","- C85 H96 Bi4 Br12 S12 -","- C340 H384 Bi16 Br48 S48 -","4","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm050377+","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000599","5.7676","0.0011","8.5369","0.0016","22.949","0.004","100.272","0.004","94.846","0.003","92.07","0.004","1106.3","0.4","253","2","253","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H20 S2 -","- C32 H20 S2 -","- C64 H40 S4 -","2","1","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0504889","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000600","8.0077","0.0008","5.6402","0.0005","23.749","0.002","90","","99.215","0.002","90","","1058.78","0.17","253","2","253","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 S2 -","- C30 H20 S2 -","- C60 H40 S4 -","2","0.5","","","Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation","Chemistry of Materials","2005","","","","","10.1021/cm0504889","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000601","6.221","0.003","6.221","0.003","21.403","0.002","90","","90","","90","","828.3","0.2","","","","","","","","","","","","3","I 4 m m","I 4 -2","107","","","","- Al7 La2 Ni -","- Al7.001 La2 Ni0.999 -","- Al28.004 La8 Ni3.996 -","4","0.25","","","","Chemistry of Materials","2005","","","","","10.1021/cm050513a","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000602","11.773","0.003","12.173","0.003","14.493","0.002","62.95","0.05","67.76","0.05","70.49","0.05","1678.9","0.6","105.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H43 N6 O8 -","- C34 H43 N6 O8 -","- C68 H86 N12 O16 -","2","1","","Tomoaki Ise; Daisuke Shiomi; Kazunobu Sato; Takeji Takui","'Syntheses, Crystal Structures and Magnetic Properties of Nitronyl Nitroxide Triradicals Composed of Ground-State Singlet Biradicals and Monoradicals: Molecular Spin Clusters in the Crystal'","Chemistry of Materials","2005","","","","","10.1021/cm050558b","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000603","17.6802","0.0009","10.3712","0.0004","21.565","0.001","90","","96.092","0.003","90","","3931.9","0.3","143.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 N6 O10 -","- C37 H51 N6 O10 -","- C148 H204 N24 O40 -","4","1","","Tomoaki Ise; Daisuke Shiomi; Kazunobu Sato; Takeji Takui","'Syntheses, Crystal Structures and Magnetic Properties of Nitronyl Nitroxide Triradicals Composed of Ground-State Singlet Biradicals and Monoradicals: Molecular Spin Clusters in the Crystal'","Chemistry of Materials","2005","","","","","10.1021/cm050558b","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000604","5.84414","0.00019","5.84414","","14.4089","0.0006","90","","90","","120","","426.189","0.035","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Mg O9 Sb2 -","- Ba3 Mg O9 Sb2 -","- Ba6 Mg2 O18 Sb4 -","2","0.0833333","","Lufaso, Michael W.; Hopkins, Elizabeth; Bell, Steven M.; Llobet, Anna","Crystal chemistry and microwave dielectric properties of Ba~3~MNb~2-x~Sb~x~O~9~ (M = Mg, Ni, Zn)","Chemistry of Materials","2005","17","16","4250","4255","10.1021/cm050631y","","","","","","","","","","","","","","","","","","","","","has coordinates","277948","2022-09-17","22:55:20",""
"4000605","5.85382","0.0001","5.85382","","14.44977","0.00031","90","","90","","120","","428.816","0.018","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 O9 Sb2 Zn -","- Ba3 O9 Sb2 Zn -","- Ba6 O18 Sb4 Zn2 -","2","0.0833333","","Lufaso, Michael W.; Hopkins, Elizabeth; Bell, Steven M.; Llobet, Anna","Crystal chemistry and microwave dielectric properties of Ba~3~MNb~2-x~Sb~x~O~9~ (M = Mg, Ni, Zn)","Chemistry of Materials","2005","17","16","4250","4255","10.1021/cm050631y","","","","","","","","","","","","","","","","","","","","","has coordinates","277948","2022-09-17","22:55:20",""
"4000606","19.421","0.004","3.7296","0.0007","20.57","0.004","90","","108.14","0.03","90","","1415.9","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Diaminoguanidinium azotetrazolate monohydrate","","","- C4 H16 N18 O -","- C4 H16 N18 O -","- C16 H64 N72 O4 -","4","0.5","","Hiskey, Michael A.; Hammerl, Anton; Holl, Gerhard; Klapötke, Thomas M.; Polborn, Kurt; Stierstorfer, Jörg; Weigand, Jan J.","Azidoformamidinium and Guanidinium 5,5'-Azotetrazolate Salts","Chemistry of Materials","2005","","","","","10.1021/cm050684f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000607","9.928","0.002","6.9088","0.0008","10.0255","0.0019","90","","90.158","0.017","90","","687.6","0.2","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N20 -","- C4 H8 N20 -","- C8 H16 N40 -","2","0.5","","Hiskey, Michael A.; Hammerl, Anton; Holl, Gerhard; Klapötke, Thomas M.; Polborn, Kurt; Stierstorfer, Jörg; Weigand, Jan J.","Azidoformamidinium and Guanidinium 5,5'-Azotetrazolate Salts","Chemistry of Materials","2005","","","","","10.1021/cm050684f","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000608","7.1981","0.0007","11.962","0.0012","17.4481","0.0018","90","","90","","90","","1502.3","0.3","298","2","298","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C4 H8 Ag N2 O3.5 -","- C4 H3 Ag N2 O3.5 -","- C32 H24 Ag8 N16 O28 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050739d","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000609","7.5756","0.0004","5.4207","0.0002","12.5711","0.0006","90","","117.506","0.003","90","","457.9","0.1","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 Ag N2 O -","- C4 H3 Ag N2 O -","- C16 H12 Ag4 N8 O4 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050739d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000610","19.9772","0.0007","39.3924","0.0015","3.539","0.0001","90","","90","","90","","2785.4","0.2","298","","298","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C4 H5 Ag N4 O3 -","- C4 H2 Ag N4 O3 -","- C64 H32 Ag16 N64 O48 -","16","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050739d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000611","5.6054","0.0002","8.3407","0.0003","13.7479","0.0006","90","","93.333","0.003","90","","641.7","0.1","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H2 Ag N3 O3 -","- C4 H2 Ag N3 O -","- C8 H4 Ag2 N6 O2 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050739d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000612","12.7484","0.0014","24.891","0.003","9.2115","0.001","90","","90","","90","","2923","0.5","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba7 Se13 Sn3 -","- Ba7 Se13 Sn3 -","- Ba28 Se52 Sn12 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000613","12.9596","0.0006","25.2417","0.0011","9.292","0.0004","90","","90","","90","","3039.6","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba7 Se10.76 Sn3 Te2.24 -","- Ba7 Se10.755 Sn3 Te2.245 -","- Ba28 Se43.02 Sn12 Te8.98 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000614","12.9244","0.0006","25.1831","0.0012","9.2746","0.0004","90","","90","","90","","3018.7","0.2","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba7 Se11.24 Sn3 Te1.75 -","- Ba7 Se11.243 Sn3 Te1.757 -","- Ba28 Se44.972 Sn12 Te7.028 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000615","12.845","0.003","25.098","0.006","9.2421","0.0015","90","","90","","90","","2979.6","1.1","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba7 Se11.9 Sn3 Te1.1 -","- Ba7 Se11.897 Sn3 Te1.103 -","- Ba28 Se47.588 Sn12 Te4.412 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm050787y","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000616","9.3338","0.0007","10.0713","0.0008","14.1923","0.0011","90","","95.1","0.001","90","","1328.84","0.18","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","exo-Ph-pyrrole","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050803r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000617","5.97469","0.00017","6.11883","0.00017","8.53249","0.00024","90","","90","","90","","311.932","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O Pr0.33 Sr0.32 -","- O Pr0.333333 Sr0.321 -","- O12 Pr4 Sr3.852 -","12","1.5","","Thundathil, Mary A.; Jones, Camille Y.; Snyder, G. Jeffrey; Haile, Sossina M.","Nonstoichiometry, Structure, and Electrical Properties of ""SrPrO~3~""","Chemistry of Materials","2005","17","20","5146","5154","10.1021/cm050895k","powder diffraction","neutron","1.5398","","","","","","","","","0.04961","","1.17","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000618","5.988","0.00017","6.12136","0.00017","8.54858","0.00024","90","","90","","90","","313.346","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- O3 Pr Sr0.96 -","- O3 Pr Sr0.963 -","- O12 Pr4 Sr3.852 -","4","0.5","","Thundathil, Mary A.; Jones, Camille Y.; Snyder, G. Jeffrey; Haile, Sossina M.","Nonstoichiometry, Structure, and Electrical Properties of ""SrPrO~3~""","Chemistry of Materials","2005","17","20","5146","5154","10.1021/cm050895k","powder diffraction","neutron","1.5398","","","","","","","","","0.03313","","1.14","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000619","14.739","0.0017","7.0271","0.0005","6.0959","0.0007","90","","99.209","0.014","90","","623.23","0.11","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050929o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000620","16.002","0.002","16.002","0.002","6.04","0.0012","90","","90","","120","","1339.4","0.4","173","2","173","2","","","","","","","","4","P 32","P 32","145","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C60 H78 N6 O3 -","3","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm050929o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000621","9.5669","0.0002","9.5023","0.0002","10.3717","0.0003","90","","93.474","0.002","90","","941.13","0.04","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Ca O6 P2 -","- Ca O6 P2 -","- Ca8 O48 P16 -","8","2","","","Synthesis and structure of a calcium polyphosphate with a unique criss-cross arrangement of helical phosphate chains","Chemistry of Materials","2005","","","","","10.1021/cm050984x","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000622","10.086","0.002","17.585","0.005","10.811","0.003","90","","111.538","0.007","90","","1783.5","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H54 Cu4 P2 S4 -","- C22 H54 Cu4 P2 S4 -","- C44 H108 Cu8 P4 S8 -","2","0.5","","","Synthesis and structure of a calcium polyphosphate with a unique criss-cross arrangement of helical phosphate chains","Chemistry of Materials","2005","","","","","10.1021/cm051175g","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000623","10.769","0.003","13.454","0.003","21.964","0.005","94.124","0.004","92.615","0.004","101.141","0.004","3108.6","1.3","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H85 O P4 Pt2 -","- C61 H85 O P4 Pt2 -","- C122 H170 O2 P8 Pt4 -","2","1","","","Synthesis and structure of a calcium polyphosphate with a unique criss-cross arrangement of helical phosphate chains","Chemistry of Materials","2005","","","","","10.1021/cm0512878","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000624","11.00922","0.00019","11.40631","0.00019","3.94327","0.00006","90","","90","","90","","495.175","0.021","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","","","- La2 O5 Ti -","- La2 O5 Ti -","- La8 O20 Ti4 -","4","0.5","","Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.","Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines","Chemistry of Materials","2005","17","24","5989","5998","10.1021/cm051117v","powder diffraction","","","","","","","","","","","","","2.17","","","","","","","has coordinates","277952","2022-09-18","01:03:30",""
"4000625","7.96293","0.00015","11.09998","0.00023","11.8294","0.0004","90","","109.689","0.004","90","","984.45","0.05","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.25 La O2.39 Ti0.25 -","- Ga0.24825 La O2.385 Ti0.25175 -","- Ga3.972 La16 O38.16 Ti4.028 -","16","4","","Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.","Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines","Chemistry of Materials","2005","17","24","5989","5998","10.1021/cm051117v","powder diffraction","","","","","","","","","","","","","3.02","","","","","","","has coordinates","277951","2022-09-18","00:39:59",""
"4000626","8.00474","0.00033","11.1123","0.0005","11.8456","0.0008","90","","109.788","0.008","90","","991.46","0.11","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga0.25 La O2.37 Ti0.25 -","- Ga0.25 La O2.365 Ti0.25 -","- Ga4 La16 O37.84 Ti4 -","16","4","","Martín-Sedeño, M. C.; Marrero-López, D.; Losilla, E. R.; León-Reina, L.; Bruque, S.; Núñez, P.; Aranda, M. A. G.","Structural and electrical investigation of oxide ion and proton conducting titanium cuspidines","Chemistry of Materials","2005","17","24","5989","5998","10.1021/cm051117v","powder diffraction","neutron","1.88035","","","","","","","","","0.04019","","1.48","","","","","","","has coordinates","277952","2022-09-18","01:03:30",""
"4000627","14.5452","0.0007","14.5452","0.0007","28.524","0.002","90","","90","","90","","6034.6","0.6","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C38 H0 F6 I6 N5 O4 Pr S2 -","- C38 H80 F6 I6 N5 O4 Pr S2 -","- C152 H320 F24 I24 N20 O16 Pr4 S8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051137x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000628","14.648","0.002","14.648","0.002","28.469","0.005","90","","90","","90","","6108.4","1.6","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C38 H80 F6 I6 N5 O4 Pr S2 -","- C38 H80 F6 I6 N5 O4 Pr S2 -","- C152 H320 F24 I24 N20 O16 Pr4 S8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051137x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000629","12.3204","0.0012","12.4261","0.0014","22.64","0.002","94.44","0.009","102.632","0.008","105.792","0.008","3219.8","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H40 F30 N7 O20 Pr S10 -","- C28.21 H40 F30 N7 O20 Pr S10 -","- C56.42 H80 F60 N14 O40 Pr2 S20 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm051137x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4000630","7.2765","0.0002","7.5673","0.0001","11.2579","0.0003","86.385","0.001","80.176","0.002","61.485","0.001","536.59","0.02","78","2","78","2","","","","","","","","4","P -1","-P 1","2","azoxy dimer of 2-(2',4'-dinitrobenzyl)pyridine","","","- C24 H18 N6 O5 -","- C24 H18 N6 O5 -","- C24 H18 N6 O5 -","1","0.5","","Yuji Ohashi; Kenji Sakurai; Ng, Seik Weng","","Chemistry of Materials","2005","","","","","10.1021/cm051145d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","198544","2020-10-21","18:00:00",""
"4000631","9.9484","0.0005","4.1968","0.0002","25.6637","0.0013","90","","92.623","0.002","90","","1070.37","0.09","78","2","78","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","azoxy dimer of 2-(2',4'-dinitrobenzyl)pyridine","","","- C24 H18 N6 O5 -","- C24 H18 N6 O5 -","- C48 H36 N12 O10 -","2","0.5","","Yuji Ohashi; Kenji Sakurai; Ng, Seik Weng","","Chemistry of Materials","2005","","","","","10.1021/cm051145d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000632","4.279","0.0006","4.279","0.0006","9.235","0.001","90","","90","","90","","169.09","0.04","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ho Ni0.6 Sb2 -","- Ho Ni0.597 Sb2 -","- Ho2 Ni1.194 Sb4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000633","4.31","0.0009","4.31","0.0009","9.397","0.0016","90","","90","","90","","174.56","0.06","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Gd Ni0.63 Sb2 -","- Gd Ni0.631 Sb2 -","- Gd2 Ni1.262 Sb4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm051196a","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000634","4.291","0.0007","4.291","0.0007","9.322","0.0014","90","","90","","90","","171.64","0.05","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Ni0.6 Sb2 Tb -","- Ni0.596 Sb2 Tb -","- Ni1.192 Sb4 Tb2 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm051196a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000635","4.284","0.0005","4.284","0.0005","9.266","0.0012","90","","90","","90","","170.06","0.04","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Dy Ni0.59 Sb2 -","- Dy Ni0.592 Sb2 -","- Dy2 Ni1.184 Sb4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm051196a","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000637","4.275","0.005","4.275","0.005","9.2","0.011","90","","90","","90","","168.1","0.3","298","2","298","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- Er Ni0.53 Sb2 -","- Er Ni0.53 Sb2 -","- Er2 Ni1.06 Sb4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm051196a","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000638","14.241","0.004","10.358","0.003","18.104","0.005","90","","110.074","0.004","90","","2508.4","1.1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 F12 Mg N2 O4 -","- C18 H21 F12 Mg N2 O4 -","- C72 H84 F48 Mg4 N8 O16 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm0512528","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000639","10.985","0.002","13.6047","0.0018","16.897","0.003","90","","90.479","0.014","90","","2525.1","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 F12 Mg N2 O4 -","- C18 H22 F12.003 Mg N2 O4 -","- C72 H88 F48.012 Mg4 N8 O16 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm0512528","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000640","9.1241","0.0014","14.6756","0.0014","17.772","0.002","90","","102.225","0.003","90","","2325.7","0.5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 F12 Mg N2 O4 -","- C16 H18 F12 Mg N2 O4 -","- C64 H72 F48 Mg4 N8 O16 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0512528","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000641","12.17","0.005","15.244","0.006","19.126","0.007","90","","100.156","0.006","90","","3493","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 F18 Mg N2 O6 -","- C25 H27 F18 Mg N2 O6 -","- C100 H108 F72 Mg4 N8 O24 -","4","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm0512528","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000642","5.9035","0.0001","5.9035","0.0001","5.9035","0.0001","90","","90","","90","","205.746","0.003","298","","298","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Li4ZnP2","","","- Li4 P2 Zn -","- Li4 P2 Zn -","- Li8 P4 Zn2 -","2","0.0104167","","Marie-Pierre Bichat; Jean-Louis Pascal; Frederic Gillot; Frederic Favier","","Chemistry of Materials","2005","","","","","10.1021/cm0513379","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","208236","2020-10-21","18:00:00",""
"4000643","2.7709","0.0008","2.7709","0.0008","4.3785","0.0009","90","","90","","120","","29.09","0.02","298","","298","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Li Zn4 -","- Li0.2 Zn0.8 -","- Li0.4 Zn1.6 -","2","0.0833333","","Marie-Pierre Bichat; Jean-Louis Pascal; Frederic Gillot; Frederic Favier","","Chemistry of Materials","2005","","","","","10.1021/cm0513379","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000644","8.7433","0.0005","20.7448","0.0011","34.3664","0.0018","90","","90","","90","","6233.3","0.6","275","2","275","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","Perles, Josefina; Iglesias, Marta; Martín-Luengo, Maria-Ángeles; Monge, M. Ángeles; Ruiz-Valero, Caridad; Snejko, Natalia","Metal−Organic Scandium Framework: Useful Material for Hydrogen Storage and Catalysis","Chemistry of Materials","2005","17","23","5837","5842","10.1021/cm051362e","","","","","","","","","","","","","","","","","","","","","has coordinates","192410","2020-10-21","18:00:00",""
"4000645","13.064","0.002","12.7709","0.0014","19.98","0.004","90","","103.971","0.013","90","","3234.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H112 N24 Si6 Ti2 -","- C36 H112 N24 Si6 Ti2 -","- C72 H224 N48 Si12 Ti4 -","2","0.5","","","","Chemistry of Materials","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000646","9.22","0.003","11.433","0.003","11.776","0.003","79.169","0.005","86.376","0.007","90.256","0.008","1216.6","0.6","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Br2 N2 S2 -","- C24 H30 Br2 N2 S2 -","- C48 H60 Br4 N4 S4 -","2","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm051561y","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000647","4.7658","0.0009","8.318","0.004","15.109","0.007","80.49","0.03","82.94","0.03","76.76","0.02","572.8","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 F2 S2 -","- C26 H32 F2 S2 -","- C26 H32 F2 S2 -","1","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051563i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000648","20.705","0.006","8.9432","0.0007","8.1539","0.0001","90","","94.192","0.007","90","","1505.8","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 S4 -","- C34 H38 S4 -","- C68 H76 S8 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051563i","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000649","7.3811","0.0014","7.3811","0.0014","4.2637","0.0016","90","","90","","90","","232.29","0.11","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ge2 In Sm2 -","- Ge2 In Sm2 -","- Ge4 In2 Sm4 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000650","7.3394","0.0008","7.3394","0.0008","4.2296","0.0009","90","","90","","90","","227.83","0.06","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Gd2 Ge2 In -","- Gd2 Ge2 In -","- Gd4 Ge4 In2 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000651","7.32","0.0012","7.32","0.0012","4.1999","0.0013","90","","90","","90","","225.04","0.09","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ge2 In Tb2 -","- Ge2 In Tb2 -","- Ge4 In2 Tb4 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000652","7.2961","0.0014","7.2961","0.0014","4.1694","0.0017","90","","90","","90","","221.95","0.11","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Dy2 Ge2 In -","- Dy2 Ge2 In -","- Dy4 Ge4 In2 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000653","7.2457","0.0012","7.2457","0.0012","4.1541","0.0014","90","","90","","90","","218.09","0.09","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ge2 Ho2 In -","- Ge2 Ho2 In -","- Ge4 Ho4 In2 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000654","7.1985","0.0016","7.1985","0.0016","4.3026","0.0019","90","","90","","90","","222.95","0.12","120","2","120","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ge2 In Yb2 -","- Ge2 In Yb2 -","- Ge4 In2 Yb4 -","2","0.125","","Tobash, Paul H.; Bobev, Svilen","Crystal Growth, Structural and Property Studies on a Family of Ternary Rare-Earth Phases RE~2~InGe~2~ (RE = Sm, Gd, Tb, Dy, Ho, Yb)","Chemistry of Materials","2005","","","","","10.1021/cm051618g","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000655","7.1664","0.0001","28.4756","0.0006","8.5418","0.0002","90","","104.976","0.001","90","","1683.9","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs3 Eu O15 Si6 -","- Cs3 Eu O15 Si6 -","- Cs12 Eu4 O60 Si24 -","4","1","","Huang, Meow-Yu; Chen, Yi-Hsiu; Chang, Bor-Chen; Lii, Kwang-Hwa","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties of Cs~3~EuSi~6~O~15~, a Europium(III) Silicate with a Three-Dimensional Framework Structure","Chemistry of Materials","2005","17","23","5743","5747","10.1021/cm051703o","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000656","5.5414","0.0009","5.4986","0.0009","28.81","0.005","90","","90","","90","","877.8","0.4","600","","","","","","","","","","","4","B b m m","-B 2 2b","63","","","","- Fe3 Nd O9 Sr3 -","- Fe3 O9.02 Sr4 -","- Fe12 O36.08 Sr16 -","4","0.25","","Barrier, N.; Pelloquin, D.; Nguyen, N.; Giot, M.; Bourrée, F.; Raveau, B.","Ferrite Sr~3~NdFe~3~O~9~: An Original Intergrowth between the Brownmillerite and K~2~NiF~4~-type Structures","Chemistry of Materials","2005","17","26","6619","6623","10.1021/cm051729f","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","203895","2020-10-21","18:00:00",""
"4000657","8.3825","0.0019","8.3825","0.0019","7.0775","0.0018","90","","90","","90","","497.3","0.2","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Cadmium Germanium Telluride","","","- Cd Ge Te4 Tl2 -","- Cd Ge Te4 Tl2 -","- Cd2 Ge2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000658","8.425","0.0004","8.425","0.0004","7.2171","0.0005","90","","90","","90","","512.27","0.05","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Cadmium Tin Telluride","","","- Cd Sn Te4 Tl2 -","- Cd Sn Te4 Tl2 -","- Cd2 Sn2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000659","8.3571","0.0011","8.3571","0.0011","7.0684","0.0014","90","","90","","90","","493.67","0.13","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Mercury Germanium Telluride","","","- Ge Hg Te4 Tl2 -","- Ge Hg Te4 Tl2 -","- Ge2 Hg2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000660","8.397","0.004","8.397","0.004","7.157","0.006","90","","90","","90","","504.6","0.5","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Mercury Tin Telluride","","","- Hg Sn Te4 Tl2 -","- Hg Sn Te4 Tl2 -","- Hg2 Sn2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000661","8.399","0.003","8.399","0.003","6.963","0.003","90","","90","","90","","491.2","0.3","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Manganese Germanium Telluride","","","- Ge Mn Te4 Tl2 -","- Ge Mn Te4 Tl2 -","- Ge2 Mn2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000662","8.4503","0.0013","8.4503","0.0013","7.1078","0.0015","90","","90","","90","","507.55","0.15","175","5","175","5","","","","","","","","4","I -4 2 m","I -4 2","121","Thallium Manganese Tin Telluride","","","- Mn Sn Te4 Tl2 -","- Mn Sn Te4 Tl2 -","- Mn2 Sn2 Te8 Tl4 -","2","0.125","","","","Chemistry of Materials","2005","","","","","10.1021/cm0518067","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000663","88.86899","","88.86899","","88.86899","","90","","90","","90","","701860","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C H Cr O -","- C6528 Cr816 O8560 -","- C6528 Cr816 O8560 -","","","","Lebedev, O. I.; Millange, F.; Serre, C.; Van Tendeloo, G.; Férey, G.","First direct imaging of giant pores of the Metal-Organic Framework MIL-101","Chemistry of Materials","2005","","","","","10.1021/cm051870o","powder diffraction","","","","","","","","","","","","5.6408","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000664","8.6048","0.0011","8.4436","0.0011","16.095","0.002","90","","90","","90","","1169.4","0.3","90","","90","","","","","","","","","3","P b c a","-P 2ac 2ab","61","9,10-Dimethoxyanthracene","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051874t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000665","5.195","0.0018","7.458","0.003","9.002","0.003","74.066","0.005","73.691","0.004","89.762","0.005","320.87","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","9,10-Bis(methylthio)anthracene","","","- C16 H14 S2 -","- C16 H14 S2 -","- C16 H14 S2 -","1","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051874t","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000666","20.24","0.003","5.7906","0.0007","15.698","0.002","90","","129.482","0.001","90","","1420","0.3","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","9,10-Bis(methyltelluro)anthracene","","","- C16 H14 Te2 -","- C16 H14 Te2 -","- C64 H56 Te8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm051874t","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000667","23.262","0.004","10.0197","0.0019","15.761","0.003","90","","94.638","0.003","90","","3661.5","1.2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","9,10-Bis(methyltelluro)anthracene-AgNO3","","","- C16 H14 Ag N O3.5 Te2 -","- C16 H14 Ag N O3.5 Te2 -","- C128 H112 Ag8 N8 O28 Te16 -","8","1","","","","Chemistry of Materials","2005","","","","","10.1021/cm051874t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000668","20.7116","0.0014","6.8564","0.0005","10.5497","0.0007","90","","90","","90","","1498.13","0.18","193","2","193","2","","","","","","","","5","C m c 21","C 2c -2","36","cesium uranyl vanadyl phosphate","","","- Cs2 O14.59 P2 U V2 -","- Cs2 O14.59 P2 U V2 -","- Cs8 O58.36 P8 U4 V8 -","4","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm052079i","","","","","","","","","","","","","","","","","","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000669","12.2831","0.0004","6.368","0.0001","10.2245","0.0003","90","","105.064","0.001","90","","772.27","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Mn N18 -","- C8 H8 Mn N18 -","- C16 H16 Mn2 N36 -","2","0.5","","","","Chemistry of Materials","2005","","","","","10.1021/cm0521830","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000670","19.112","0.0014","10.2646","0.0008","12.602","0.0012","90","","90","","90","","2472.2","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Dy2 P4 S16 -","- Ba3 Dy2 P4 S16 -","- Ba12 Dy8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0374","0.0275","","","0.0771","0.0985","","","","","","1.217","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000671","19.078","0.003","10.2413","0.0019","12.5682","0.0017","90","","90","","90","","2455.6","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Er2 P4 S16 -","- Ba3 Er2 P4 S16 -","- Ba12 Er8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0298","0.0272","","","0.0671","0.0682","","","","","","1.142","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000672","19.127","0.003","10.2795","0.0005","12.648","0.0016","90","","90","","90","","2486.8","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Gd2 P4 S16 -","- Ba3 Gd2 P4 S16 -","- Ba12 Gd8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0573","0.0463","","","0.1547","0.1613","","","","","","1.103","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000673","19.088","0.003","10.2481","0.0013","12.565","0.002","90","","90","","90","","2457.9","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Ho2 P4 S16 -","- Ba3 Ho2 P4 S16 -","- Ba12 Ho8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0476","0.0294","","","0.0684","0.0729","","","","","","1.023","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000674","19.113","0.002","10.261","0.0011","12.616","0.002","90","","90","","90","","2474.2","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 P4 S16 Tb2 -","- Ba3 P4 S16 Tb2 -","- Ba12 P16 S64 Tb8 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0884","0.0474","","","0.1473","0.1621","","","","","","1.061","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000675","12.981","0.003","10.09","0.002","22.939","0.005","90","","91.3","0.03","90","","3003.7","1","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc","Field Effect Studies on Rubrene and Impurities of Rubrene","Chem. Mater.","2006","18","2","244","248","10.1021/cm0502626","","","0.71073","MoKα","","0.1146","0.0684","","0.0771","0.0642","0.0642","","","","","","1.1574","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000676","10.315","0.004","12.055","0.004","12.583","0.005","92.83","0.03","84.46","0.03","116.99","0.04","1387.7","1","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C42 H26 -","- C42 H26 -","- C84 H52 -","2","1","","Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc","Field Effect Studies on Rubrene and Impurities of Rubrene","Chem. Mater.","2006","18","2","244","248","10.1021/cm0502626","","","0.71073","MoKα","","0.2876","0.1068","","0.1806","0.1229","0.1229","","","","","","1.1536","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000677","10.192","0.002","17.764","0.004","24.437","0.005","90","","91.19","0.03","90","","4423.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N12 O19.9 Zn5 -","- C32 H20 N12 O19.896 Zn5 -","- C128 H80 N48 O79.584 Zn20 -","4","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.71073","MoKα","","0.0754","0.0496","","","0.1309","0.1562","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000678","7.797","0.0016","10.047","0.002","13.577","0.003","110.18","0.03","105.46","0.03","93.9","0.03","947","0.3","103","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N9 O6 Zn2 -","- C14 H11 N9 O6 Zn2 -","- C28 H22 N18 O12 Zn4 -","2","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.48595","synchrotron","","0.0361","0.0345","","","0.0926","0.0934","","","","","","1.146","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000679","13.475","0.003","26.949","0.005","13.509","0.003","90","","95.18","0.03","90","","4885.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N12 O24 Zn4 -","- C24 H16 N12 O24 Zn4 -","- C96 H64 N48 O96 Zn16 -","4","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.48595","synchrotron","","0.0633","0.0575","","","0.1483","0.1524","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000680","4.0829","0.0006","4.0829","0.0006","17.595","0.004","90","","90","","120","","254.02","0.07","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu In2 P2 -","- Eu In2 P2 -","- Eu2 In4 P4 -","2","0.0833333","","Jiong Jiang; Susan M. Kauzlarich","Colossal Magnetoresistance in a Rare Earth Zintl Compound with a New Structure Type: EuIn2P2","Chem. Mater.","2006","18","2","435","441","10.1021/cm0520362","","","0.71073","MoKα","","0.0176","0.0176","","","0.0345","0.0345","","","","","","1.589","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4000681","7.3474","0.0002","28.7742","0.0009","15.6631","0.0004","90","","90","","90","","3311.42","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","2,7-Bis(3,4,5-trimethoxyphenylethenyl)-9,9-diethylfluorene","","","- C39 H42 O6 -","- C39.1 H32 O6 -","- C156.4 H128 O24 -","4","0.5","","Hemali P. Rathnayake; Ali Cirpan; Paul M. Lahti; Frank E. Karasz","Optimizing LED Properties of 2,7-Bis(phenylethenyl)fluorenes","Chem. Mater.","2006","18","2","560","566","10.1021/cm052144o","","","0.71073","MoKα","","0.1025","0.0713","","","0.1595","0.1754","","","","","","1.094","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000682","32.603","0.007","10.617","0.002","10.718","0.002","90","","108.26","0.03","90","","3523.2","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B H11 Mn4.5 N2 O21 P5 -","- B H7 Mn4.5 N2 O21 P5 -","- B8 H56 Mn36 N16 O168 P40 -","8","1","","Miao Yang; Jihong Yu; Lei Shi; Peng Chen; Guanghua Li; Yan Chen; Ruren Xu; Song Gao","Synthesis, Structure, and Magnetic Property of a New Open-Framework Manganese Borophosphate, [NH4]4[Mn9B2(OH)2(HPO4)4(PO4)6]","Chem. Mater.","2006","18","2","476","481","10.1021/cm052170m","","","0.71073","MoKα","","0.0374","0.0313","","","0.0801","0.0835","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000683","7.5046","0.0005","10.7097","0.0008","10.7159","0.0008","60.849","0.001","69.918","0.001","85.968","0.001","701.49","0.09","293","0.2","293","0.2","","","","","","","","4","P 1","P 1","1","","","","- H8 K2 O12.2 Te4 -","- K2 O12.2 Te4 -","- K4 O24.4 Te8 -","2","2","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","0.71073","MoKα","","0.0316","0.0313","","","0.0856","0.0859","","","","","","1.073","","","","has coordinates","209296","2020-10-21","18:00:00",""
"4000684","15.8524","0.0003","10.4636","0.0002","15.8729","0.0003","90","","105.021","0.0009","90","","2542.93","0.08","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N5 Na O4 S2 -","- C22 H28 N5 Na O4 S2 -","- C88 H112 N20 Na4 O16 S8 -","4","1","","Olivier LeBel; Marie-Eve Perron; Thierry Maris; Sylvia F. Zalzal; Antonio Nanci; James D. Wuest","A New Class of Selective Low-Molecular-Weight Gelators Based on Salts of Diaminotriazinecarboxylic Acids","Chem. Mater.","2006","16","","3616","3626","10.1021/cm049234y","","","1.54178","CuKα","","0.0636","0.0401","","","0.0996","0.1089","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000685","16.012","0.002","16.012","0.002","12.447","0.002","90","","90","","120","","2763.7","0.7","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C10 H26 N6 S3 -","- C10 H12 N6 S3 -","- C60 H72 N36 S18 -","6","0.166667","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0827","","","","0.1078","","","","","","0.8824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000686","12.406","0.008","15.535","0.008","10.14","0.009","90","","114.27","0.03","90","","1782","2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N6 S3 -","- C10 H26 N6 S3 -","- C40 H104 N24 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0765","","","","0.0944","","","","","","1.0083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000687","16.225","0.002","16.225","0.002","12.488","0.004","90","","90","","120","","2847","1","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C11 H28 N6 S3 -","- C11 H12 N6 S3 -","- C66 H72 N36 S18 -","6","0.166667","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0922","","","","0.1091","","","","","","0.9657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000688","12.465","0.005","15.555","0.007","10.392","0.004","90","","113.99","0.03","90","","1840.9","1.4","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 N6 S3 -","- C11 H28 N6 S3 -","- C44 H112 N24 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0573","","","","0.0673","","","","","","1.0086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000689","12.416","0.0006","30.918","0.0013","10.371","0.0005","90","","113.848","0.003","90","","3641.3","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 N6 S3 -","- C11 H28 N6 S3 -","- C88 H224 N48 S24 -","8","2","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","0.71069","MoKα","","","0.0432","","","","0.0551","","","","","","0.9775","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000690","12.761","0.0015","15.631","0.002","10.3603","0.0013","90","","117.098","0.011","90","","1839.7","0.4","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.068","","","","0.0747","","","","","","1.086","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000691","12.746","0.007","15.6205","0.0017","10.3555","0.0014","90","","117.134","0.008","90","","1834.9","1.1","280","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0354","","","","0.0436","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000692","12.637","0.0014","15.518","0.002","10.293","0.0014","90","","117.38","0.01","90","","1792.4","0.4","120","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0373","","","","0.0434","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000700","11.6417","0.0006","11.7774","0.0007","13.7069","0.0013","112.458","0.003","99.9654","0.0009","99.163","0.001","1657.3","0.2","295.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H38 N2 O5 P S -","- C35 H38 N2 O5 P S -","- C70 H76 N4 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin’ichi; Hosokoshi, Yuko; Turner, Scott S.","A Purely Organic Paramagnetic Metal, κ-β′′-(BEDT-TTF)2(PO-CONHC2H4SO3), Where PO = 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl Free Radical†","Chemistry of Materials","2011","23","3","762","","10.1021/cm100984z","","","0.71069","MoKα","","","0.0689","","","","0.0567","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000701","8.711","0.002","11.8136","0.0004","40.528","0.007","89.448","0.002","87.3821","0.0012","83.2487","0.0009","4137.4","1.2","293.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 O5 S17 -","- C31 H34 N2 O5 S17 -","- C124 H136 N8 O20 S68 -","4","2","","Akutsu, Hiroki; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin’ichi; Hosokoshi, Yuko; Turner, Scott S.","A Purely Organic Paramagnetic Metal, κ-β′′-(BEDT-TTF)2(PO-CONHC2H4SO3), Where PO = 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl Free Radical†","Chemistry of Materials","2011","23","3","762","","10.1021/cm100984z","","","0.71069","MoKα","","","0.0944","","","","0.075","","","","","","1.1514","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000702","9.1985","0.0011","9.5493","0.0013","13.2712","0.0016","75.93","0.003","75.466","0.003","82.159","0.003","1091","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","byproduct","byproduct","","- C24 H20 Cl N O2 S2 -","- C24 H20 Cl N O2 S2 -","- C48 H40 Cl2 N2 O4 S4 -","2","1","","Suzuki, Yuki; Shimawaki, Masafumi; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo","Quinoidal Oligothiophenes with (Acyl)cyanomethylene Termini: Synthesis, Characterization, Properties, and Solution Processed n-Channel Organic Field-Effect Transistors†","Chemistry of Materials","2011","23","3","795","","10.1021/cm102109p","","","0.71075","MoKα","","0.1221","0.0912","","","0.2632","0.2838","","","","","","0.979","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000703","5.9336","0.0017","7.31","0.002","22.707","0.006","82.283","0.003","82.706","0.004","78.117","0.004","950.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","10051m","10051m","","- C42 H46 S6 -","- C42 H46 S6 -","- C42 H46 S6 -","1","0.5","","Pappenfus, Ted M.; Schneiderman, Deborah K.; Casado, Juan; López Navarrete, Juan T.; Ruiz Delgado, M. Carmen; Zotti, Gianni; Vercelli, Barbara; Lovander, Matthew D.; Hinkle, Lindsay M.; Bohnsack, Jon N.; Mann, Kent R.","Oligothiophene Tetracyanobutadienes: Alternative Donor−Acceptor Architectures for Molecular and Polymeric Materials†","Chemistry of Materials","2011","23","3","823","","10.1021/cm102128g","","","0.71073","MoKα","","0.0636","0.042","","","0.0884","0.0992","","","","","","1.043","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000704","8.358","0.005","17.836","0.005","13.891","0.005","90","","96.544","0.005","90","","2057.3","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N3 -","- C23 H27 N3 -","- C92 H108 N12 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.2267","0.1837","","0.2151","0.2101","0.2151","","","","","","1.0812","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000705","8.552","0.005","7.519","0.005","38.551","0.005","90","","91.896","0.005","90","","2478","2","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 -","- C29 H31 N3 -","- C116 H124 N12 -","4","2","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties","Chemistry of Materials","2011","23","3","862","873","10.1021/cm102165r","","","0.71069","MoKα","","0.1503","0.0574","","0.1263","0.0743","0.0743","","","","","","0.7826","","","","has coordinates","218797","2020-10-21","18:00:00",""
"4000706","9.173","0.005","18.158","0.005","16.718","0.005","90","","97.576","0.005","90","","2760.3","1.9","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N4 -","- C33 H30 N4 -","- C132 H120 N16 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1609","0.0446","","0.0711","0.0491","0.0567","","","","","","1.0386","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000707","7.671","0.005","8.752","0.005","16.741","0.005","96.328","0.005","93.545","0.005","95.462","0.005","1109","1","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H26 N6 -","- C23 H26 N6 -","- C46 H52 N12 -","2","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1441","0.087","","0.1088","0.0992","0.0989","","","","","","0.7382","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000708","10.92","0.005","14","0.005","15.753","0.005","90","","106.259","0.005","90","","2312","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N9 -","- C23 H25 N9 -","- C92 H100 N36 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1901","0.1265","","0.3538","0.3209","0.3538","","","","","","1.1518","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000709","15.7228","0.0018","11.5429","0.0012","23.123","0.003","90","","90","","90","","4196.5","0.8","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Cl N3 -","- C23 H26 Cl N3 -","- C184 H208 Cl8 N24 -","8","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71073","MoKα","","0.1447","0.0553","","0.1472","0.0685","0.1472","","","","","","0.8155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000710","9.244","0.005","10.877","0.005","13.234","0.005","70.273","0.005","70.515","0.005","65.327","0.005","1108.9","0.9","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 Cl2 N3 -","- C23 H25 Cl2 N3 -","- C46 H50 Cl4 N6 -","2","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.1061","0.0753","","0.2491","0.2331","0.2491","","","","","","0.8807","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000711","17.727","0.005","17.596","0.005","8.291","0.005","90","","91.537","0.005","90","","2585.2","1.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N3 O4 -","- C27 H31 N3 O4 -","- C108 H124 N12 O16 -","4","1","","Massin, Julien; Dayoub, Wissam; Mulatier, Jean-Christophe; Aronica, Christophe; Bretonnière, Yann; Andraud, Chantal","Near-Infrared Solid-State Emitters Based on Isophorone: Synthesis, Crystal Structure and Spectroscopic Properties.†","Chemistry of Materials","2011","23","3","862","","10.1021/cm102165r","","","0.71069","MoKα","","0.2045","0.0882","","0.0835","0.0749","0.0749","","","","","","0.6887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000712","7.237","0.003","11.484","0.004","9.373","0.003","90","","90","","90","","779","0.5","210","2","210","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","diammonium hypodiphosphate","","- H10 N2 O6 P2 -","- H10 N2 O6 P2 -","- H40 N8 O24 P8 -","4","0.5","","Szklarz, Przemysław; Chański, Michał; Ślepokura, Katarzyna; Lis, Tadeusz","Discovery of Ferroelectric Properties in Diammonium Hypodiphosphate (NH4)2H2P2O6(ADhP)","Chemistry of Materials","2011","23","5","1082","","10.1021/cm102265e","","","0.71073","MoKα","","0.0535","0.0352","","","0.0836","0.0893","","","","","","1.172","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000713","10.45","0.005","10.45","0.005","22.736","0.005","90","0.005","90","0.005","90","0.005","2482.8","1.8","293","2","293","2","","","","","","","synthesis as described","6","P 41","P 4w","76","Compound X","","","- C12 H0 Mn2 N16 Nb O6 -","- C12 Mn2 N16 Nb O6 -","- C48 Mn8 N64 Nb4 O24 -","4","1","","Pinkowicz, Dawid; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Majcher, Anna Małgorzata; Nuida, Tomohiro; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Multifunctional Magnetic Molecular {[MnII(urea)2(H2O)]2[NbIV(CN)8]}nSystem: Magnetization-Induced SHG in the Chiral Polymorph","Chemistry of Materials","2011","23","1","21","","10.1021/cm102388q","","x-ray","0.71069","MoKα","","0.0616","0.0545","","","0.1343","0.1396","","","","","","1.102","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000714","10.459","0.0003","10.46","0.0003","11.54","0.0003","83.159","0.002","82.12","0.002","88.964","0.002","1241.66","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H0 Mn2 N16 Nb O6 -","- C12 Mn2 N16 Nb O6 -","- C24 Mn4 N32 Nb2 O12 -","2","1","","Pinkowicz, Dawid; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Majcher, Anna Małgorzata; Nuida, Tomohiro; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Multifunctional Magnetic Molecular {[MnII(urea)2(H2O)]2[NbIV(CN)8]}nSystem: Magnetization-Induced SHG in the Chiral Polymorph","Chemistry of Materials","2011","23","1","21","","10.1021/cm102388q","","","0.71073","MoKα","","0.1021","0.0898","","","0.2593","0.268","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000715","15.915","0.003","3.923","0.0008","25.855","0.005","90","","94.5","0.03","90","","1609.3","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 Br2 S2 -","- C6 H2 Br2 S2 -","- C48 H16 Br16 S16 -","8","2","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Tuning the Band Gap of Low-Band-Gap Polyselenophenes and Polythiophenes: The Effect of the Heteroatom†","Chemistry of Materials","2011","23","3","896","","10.1021/cm102395v","","","0.71073","MoKα","","0.0431","0.028","","","0.061","0.0647","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4000716","3.9748","0.0008","14.965","0.003","15.68","0.003","117.59","0.03","90.78","0.03","93.57","0.03","824.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H2 Br2 S Se -","- C6 H2 Br2 S Se -","- C24 H8 Br8 S4 Se4 -","4","2","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Tuning the Band Gap of Low-Band-Gap Polyselenophenes and Polythiophenes: The Effect of the Heteroatom†","Chemistry of Materials","2011","23","3","896","","10.1021/cm102395v","","","0.71073","MoKα","","0.0416","0.0301","","","0.0688","0.0733","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4000717","7.1517","0.0002","22.9276","0.0005","7.6767","0.0001","90","","97.649","0.001","90","","1247.56","0.05","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Ga2 O10 -","- C9 H7 Ga2 O10 -","- C36 H28 Ga8 O40 -","4","1","","Hajjar, Redouane; Volkringer, Christophe; Loiseau, Thierry; Guillou, Nathalie; Marrot, Jérôme; Férey, Gérard; Margiolaki, Irene; Fink, Gerhard; Morais, Claudia; Taulelle, Francis","71Ga Slow-CTMAS NMR and Crystal Structures of MOF-Type Gallium Carboxylates with Infinite Edge-Sharing Octahedra Chains (MIL-120 and MIL-124)","Chemistry of Materials","2011","23","1","39","","10.1021/cm1025427","","","0.71073","MoKα","","0.0345","0.0301","","","0.0953","0.1053","","","","","","1.188","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000718","16.7435","0.0002","16.7435","0.0002","16.7435","0.0002","90","","90","","90","","4693.95","0.1","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-tin-manganese carbide","","","- C12 La21 Mn8 Sn7 -","- C12 La21 Mn8 Sn7 -","- C48 La84 Mn32 Sn28 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0216","0.018","","","0.0369","0.0379","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000719","16.4829","0.0004","16.4829","0.0004","16.4829","0.0004","90","","90","","90","","4478.17","0.19","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-antimony-manganese carbide","","","- C12 La21 Mn8 Sb7 -","- C12 La21 Mn8 Sb7 -","- C48 La84 Mn32 Sb28 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0186","0.0177","","","0.038","0.0382","","","","","","1.384","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000720","16.2259","0.0003","16.2259","0.0003","16.2259","0.0003","90","","90","","90","","4271.95","0.14","295","2","295","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","lanthanum-germanium-aluminium-manganese carbide","","","- C12 Al0.83 Ge6.17 La21 Mn8 -","- C12 Al0.83 Ge6.17 La21 Mn8 -","- C48 Al3.32 Ge24.68 La84 Mn32 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0215","0.02","","","0.042","0.0425","","","","","","1.186","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000721","16.6072","0.0005","16.6072","0.0005","16.6072","0.0005","90","","90","","90","","4580.3","0.2","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-bismuth-manganese carbide","","","- C12 Bi7 La21 Mn8 -","- C12 Bi7 La21 Mn8 -","- C48 Bi28 La84 Mn32 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0216","0.0188","","","0.0369","0.0375","","","","","","1.243","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000722","16.4455","0.0007","16.4455","0.0007","16.4455","0.0007","90","","90","","90","","4447.8","0.3","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","lanthanum-tellurium-manganese carbide","","","- C12 La20.02 Mn8 Te7 -","- C12 La20.024 Mn8 Te7 -","- C48 La80.096 Mn32 Te28 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.0319","0.0234","","","0.0446","0.047","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000723","16.2911","0.0007","16.2911","0.0007","16.2911","0.0007","90","","90","","90","","4323.7","0.3","295","2","295","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","lanthanum-tellurium-aluminium-manganese carbide","","","- C12 Al2.66 Fe8 La20.71 Te4.34 -","- C12 Al2.658 Fe8 La20.71 Te4.342 -","- C48 Al10.632 Fe32 La82.84 Te17.368 -","4","0.0208333","","Zaikina, Julia V.; Schellenberg, Inga; Benbow, Evan M.; Pöttgen, Rainer; Latturner, Susan E.","Influence of the La/M Network on Magnetic Properties of Mn4Tetrahedra in Intermetallic Compounds La21−δMn8M7C12(M = Ge, Sn, Sb, Te, Bi)","Chemistry of Materials","2011","23","7","1768","","10.1021/cm1028595","","","0.71073","MoKα","","0.04","0.04","","","0.0935","0.0935","","","","","","1.559","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000724","12.3853","0.0001","12.3853","0.0001","3.82","0.00004","90","","90","","90","","585.971","0.009","293","","293","","","","","","","","","3","I 4/m","-I 4","87","PX phase of lead titanate","","","- O3 Pb Ti -","- O3 Pb Ti -","- O24 Pb8 Ti8 -","8","0.5","","Wang, Jin; Schenk, Kurt; Carvalho, Alexandra; Eerd, Ben Wylie-van; Trodahl, Joe; Sandu, Cosmin S.; Bonin, Michel; Gregora, Ivan; He, Zhanbing; Yamada, Tomoaki; Funakubo, Hiroshi; Briddon, Patrick R.; Setter, Nava","Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate","Chemistry of Materials","2011","23","10","2529","","10.1021/cm1030206","powder diffraction","","0.498358","synchrotron","","0.0188","0.0188","","","0.0277","0.0277","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000725","9.1838","0.0011","16.135","0.002","19.005","0.002","98.794","0.002","92.691","0.003","90.956","0.002","2779.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 Cd N6 S4 -","- C20 H40 Cd N6 S4 -","- C80 H160 Cd4 N24 S16 -","4","2","","Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul","Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films","Chemistry of Materials","2011","23","6","1471","","10.1021/cm1030393","","","0.71073","MoKα","","0.0902","0.0453","","","0.068","0.0777","","","","","","0.684","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000726","9.092","0.0008","11.5052","0.001","26.955","0.002","90","","98.799","0.002","90","","2786.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N6 S4 Zn -","- C20 H40 N6 S4 Zn -","- C80 H160 N24 S16 Zn4 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul","Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films","Chemistry of Materials","2011","23","6","1471","","10.1021/cm1030393","","","0.71073","MoKα","","0.0686","0.036","","","0.0492","0.0541","","","","","","0.743","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000727","11.6199","0.0013","13.397","0.0015","11.6558","0.0013","90","","104.163","0.002","90","","1759.3","0.3","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 N6 O2 S2 Zn -","- C28 H56 N6 O2 S2 Zn -","- C56 H112 N12 O4 S4 Zn2 -","2","1","","Ramasamy, Karthik; Malik, Mohammad A.; Helliwell, Madeleine; Raftery, James; O’Brien, Paul","Thio- and Dithio-Biuret Precursors for Zinc Sulfide, Cadmium Sulfide, and Zinc Cadmium Sulfide Thin Films","Chemistry of Materials","2011","23","6","1471","","10.1021/cm1030393","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000728","10.1973","0.0001","10.1973","0.0001","10.1973","0.0001","90","","90","","90","","1060.36","0.018","200","2","200","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Sodium Silicide","Sodium Silicide","","- Na4 Si23 -","- Na4 Si23 -","- Na8 Si46 -","2","0.0416667","","Stefanoski, Stevce; Beekman, Matt; Wong-Ng, Winnie; Zavalij, Peter; Nolas, George S.","Simple Approach for Selective Crystal Growth of Intermetallic Clathrates","Chemistry of Materials","2011","23","6","1491","","10.1021/cm103135k","","","0.71073","MoKα","","0.0111","0.011","","","0.0253","0.0254","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000729","14.7121","0.0001","14.7121","0.0001","14.7121","0.0001","90","","90","","90","","3184.37","0.04","200","2","200","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","Sodium Silicide","Sodium Silicide","","- Na3 Si17 -","- Na3 Si17 -","- Na24 Si136 -","8","0.0416667","","Stefanoski, Stevce; Beekman, Matt; Wong-Ng, Winnie; Zavalij, Peter; Nolas, George S.","Simple Approach for Selective Crystal Growth of Intermetallic Clathrates","Chemistry of Materials","2011","23","6","1491","","10.1021/cm103135k","","","0.71073","MoKα","","0.0116","0.0115","","","0.029","0.029","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000730","30.319","0.002","30.319","0.002","10.119","0.001","90","","90","","120","","8055.6","1.1","293","2","293","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C90 H60 Ag6 F18 N24 O24 S6 -","- C90 H60 Ag6 F18 N24 O24 S6 -","- C270 H180 Ag18 F54 N72 O72 S18 -","3","0.333333","","Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting","Tunable Coordinative Assembly of a Disc-Like Molecule and Metal Ions: From Mirospheres to Microtubes and Microrods","Chemistry of Materials","2011","23","6","1505","","10.1021/cm103182e","","","0.71073","MoKα","","0.051","0.0382","","","0.0786","0.0926","","","","","","0.899","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000731","7.1827","0.0001","7.1827","0.0001","7.1827","0.0001","90","","90","","90","","370.564","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000732","7.1907","0.0001","7.1907","0.0001","7.1907","0.0001","90","","90","","90","","371.804","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000733","7.2001","0.0001","7.2001","0.0001","7.2001","0.0001","90","","90","","90","","373.264","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000734","7.2109","0.0001","7.2109","0.0001","7.2109","0.0001","90","","90","","90","","374.946","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000735","7.2216","0.0002","7.2216","0.0002","7.2216","0.0002","90","","90","","90","","376.617","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000736","7.2341","0.0002","7.2341","0.0002","7.2341","0.0002","90","","90","","90","","378.576","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.6 La3.4 Mo4 O17.992 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000737","7.2479","0.0002","7.2479","0.0002","7.2479","0.0002","90","","90","","90","","380.747","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000738","7.2611","0.0002","7.2611","0.0002","7.2611","0.0002","90","","90","","90","","382.831","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.3 La1.7 Mo2 O8.996 -","- Bi0.6 La3.4 Mo4 O17.992 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000739","7.2745","0.0002","7.2745","0.0002","7.2745","0.0002","90","","90","","90","","384.955","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000740","7.2875","0.0003","7.2875","0.0003","7.2875","0.0003","90","","90","","90","","387.02","0.03","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.3 La1.7 Mo2 O9.002 -","- Bi0.6 La3.4 Mo4 O18.004 -","2","0.166667","","Corbel, Gwenaël; Suard, Emmanuelle; Lacorre, Philippe","Structural Key of the Thermal Expansion and the Oxide Ionic Conduction in Derivatives of La2Mo2O9: a Temperature-Controlled Neutron Diffraction Study of β-La1.7Bi0.3Mo2O9","Chemistry of Materials","2011","23","5","1288","","10.1021/cm103255r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000741","8.48212","0.0001","8.48212","0.0001","8.48212","0.0001","90","","90","","90","","610.258","0.012","","","1173","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Li0.056 O0.165 Ti0.069 -","- Li0.0553917 O0.166667 Ti0.0694417 -","- Li10.6352 O32 Ti13.3328 -","192","1","","Laumann, Andreas; Boysen, Hans; Bremholm, Martin; Fehr, K. Thomas; Hoelzel, Markus; Holzapfel, Michael","Lithium Migration at High Temperatures in Li4Ti5O12Studied by Neutron Diffraction","Chemistry of Materials","2011","23","11","2753","","10.1021/cm103332y","powder diffraction","neutron","1.5483","neutron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000742","11.5616","0.0013","3.9304","0.0004","16.8423","0.0018","90","","90","","90","","765.34","0.14","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cerium ytterbium copper sulfide","","","- Ce2 Cu S5 Yb -","- Ce2 Cu S5 Yb -","- Ce8 Cu4 S20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0269","0.0242","","","0.0579","0.0588","","","","","","1.104","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000743","12.1113","0.0007","4.078","0.0003","17.5714","0.0011","90","","90","","90","","867.85","0.1","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","cerium ytterbium copper selenide","","","- Ce2 Cu Se5 Yb -","- Ce2 Cu Se5 Yb -","- Ce8 Cu4 Se20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0316","0.029","","","0.0745","0.0757","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000744","11.615","0.004","3.9662","0.0013","16.923","0.006","90","","90","","90","","779.6","0.5","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lanthanum ytterbium copper sulfide","","","- Cu La2 S5 Yb -","- Cu La2 S5 Yb -","- Cu4 La8 S20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0286","0.0261","","","0.0617","0.0628","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000745","12.1326","0.0011","4.1119","0.0004","17.6653","0.0016","90","","90","","90","","881.29","0.14","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","lanthanum ytterbium copper selenide","","","- Cu La2 Se5 Yb -","- Cu La2 Se5 Yb -","- Cu4 La8 Se20 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.046","0.0369","","","0.0936","0.0966","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000746","11.5323","0.0008","3.8531","0.0003","16.647","0.0012","90","","90","","90","","739.71","0.09","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","samarium ytterbium copper sulfide","","","- Cu S5 Sm2 Yb -","- Cu S5 Sm2 Yb -","- Cu4 S20 Sm8 Yb4 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Interlanthanide Copper Chalcogenides Ln2YbCuQ5(Ln = La, Ce, Pr, Nd, Sm; Q = S, Se): Evidence for Unusual Magnetic Ordering in Sm2YbCuS5","Chemistry of Materials","2011","23","5","1306","","10.1021/cm103347u","","","0.71073","MoKα","","0.0286","0.0263","","","0.0655","0.0665","","","","","","1.133","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000747","6.3028","0.00029","6.25587","0.00023","5.81797","0.00007","90","","90","","90","","229.4","0.014","20","","20","","","","","","","","","2","F m m m","-F 2 2","69","","","","- O6.88 Rb4 -","- O6.88 Rb4 -","- O6.88 Rb4 -","1","0.03125","","Riyadi, Syarif; Giriyapura, Shivakumara; de Groot, Robert A.; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.; Blake, Graeme R.","Ferromagnetic Order from p-Electrons in Rubidium Oxide","Chemistry of Materials","2011","23","6","1578","","10.1021/cm103433r","powder diffraction","x-ray","1.54059","","","","","","","","","0.0382","","0.33","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000748","15.11","0.001","3.744","0.0005","9.1693","0.0015","90","","98.984","0.007","90","","512.36","0.11","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Na2 O13 Ti6 -","- Na2 O13 Ti6 -","- Na4 O26 Ti12 -","2","0.25","","Kataoka, Kunimitsu; Awaka, Junji; Kijima, Norihito; Hayakawa, Hiroshi; Ohshima, Ken-ichi; Akimoto, Junji","Ion-Exchange Synthesis, Crystal Structure, and Electrochemical Properties of Li2Ti6O13","Chemistry of Materials","2011","23","9","2344","","10.1021/cm103678e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000749","15.3065","0.0004","3.74739","0.00008","9.1404","0.0002","90","","99.379","0.002","90","","517.28","0.02","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li2 O13 Ti6 -","- Li2 O13 Ti6 -","- Li4 O26 Ti12 -","2","0.25","","Kataoka, Kunimitsu; Awaka, Junji; Kijima, Norihito; Hayakawa, Hiroshi; Ohshima, Ken-ichi; Akimoto, Junji","Ion-Exchange Synthesis, Crystal Structure, and Electrochemical Properties of Li2Ti6O13","Chemistry of Materials","2011","23","9","2344","","10.1021/cm103678e","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000750","10.442","0.003","10.442","0.003","13.216","0.008","90","","90","","120","","1248","0.9","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ce0.08 Na0.67 O1.5 Si0.5 -","- Ce0.0833333 Na0.666667 O1.5 Si0.5 -","- Ce3 Na24 O54 Si18 -","36","1","","Wang, Xi; Li, Jiyang; Han, Yide; Li, Yi; Yu, Jihong; Xu, Ruren","Na8CeSi6O18and Its Ti-Doped Analogue Na8Ce0.73Ti0.27Si6O18with Interesting Photovoltaic Properties","Chemistry of Materials","2011","23","11","2842","","10.1021/cm200104t","","","0.71073","MoKα","","0.0919","0.0895","","","0.2186","0.2203","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000751","10.8423","0.0011","10.8423","0.0011","10.8423","0.0011","90","","90","","90","","1274.6","0.2","295","","295","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga Se4 Ta4 Te4 -","- Ga Se4 Ta4 Te4 -","- Ga4 Se16 Ta16 Te16 -","4","0.0416667","","Guiot, V.; Janod, E.; Corraze, B.; Cario, L.","Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)","Chemistry of Materials","2011","23","10","2611","","10.1021/cm200266n","","","0.71069","MoKα","","0.0262","0.0258","","","0.032","0.0322","","","","0.92","0.92","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000752","10.9955","0.0013","10.9955","0.0013","10.9955","0.0013","90","","90","","90","","1329.4","0.3","295","","295","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga Se2 Ta4 Te6 -","- Ga Se2 Ta4 Te6 -","- Ga4 Se8 Ta16 Te24 -","4","0.0416667","","Guiot, V.; Janod, E.; Corraze, B.; Cario, L.","Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)","Chemistry of Materials","2011","23","10","2611","","10.1021/cm200266n","","","0.71069","MoKα","","0.0479","0.0475","","","0.0519","0.0521","","","","1.16","1.16","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000753","10.7389","0.001","10.7389","0.001","10.7389","0.001","90","","90","","90","","1238.5","0.2","295","","295","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Ga Se5.24 Ta4 Te2.76 -","- Ga Se5.24 Ta4 Te2.76 -","- Ga4 Se20.96 Ta16 Te11.04 -","4","0.0416667","","Guiot, V.; Janod, E.; Corraze, B.; Cario, L.","Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)","Chemistry of Materials","2011","23","10","2611","","10.1021/cm200266n","","","0.71069","MoKα","","0.0309","0.028","","","0.0383","0.0391","","","","1.13","1.13","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000754","11.3691","0.0008","11.2041","0.0006","17.6065","0.0011","90","","101.148","0.007","90","","2200.4","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H64 O4 Sn4 Zn4 -","- C27 H64 O4 Sn4 Zn4 -","- C54 H128 O8 Sn8 Zn8 -","2","1","","Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias","Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications","Chemistry of Materials","2011","23","9","2428","","10.1021/cm200282w","","","0.71073","MoKα","","0.0776","0.0669","","","0.1577","0.1639","","","","","","1.107","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000755","11.2398","0.0002","11.0673","0.0002","16.6253","0.0004","90","","98.927","0.002","90","","2043.04","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H56 O4 Sn4 Zn4 -","- C23 H56 O4 Sn4 Zn4 -","- C46 H112 O8 Sn8 Zn8 -","2","1","","Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias","Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications","Chemistry of Materials","2011","23","9","2428","","10.1021/cm200282w","","","0.71073","MoKα","","0.0231","0.0205","","","0.0401","0.0405","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000756","7.03676","0.00013","11.5431","0.0002","13.8379","0.001","76.874","0.005","75.87","0.005","74.923","0.005","1036.28","0.09","123.1","","123.1","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H15 F5 -","- C30 H15 F5 -","- C60 H30 F10 -","2","1","","Okamoto, Toshihiro; Nakahara, Katsumasa; Saeki, Akinori; Seki, Shu; Oh, Joon Hak; Akkerman, Hylke B.; Bao, Zhenan; Matsuo, Yutaka","Aryl−Perfluoroaryl Substituted Tetracene: Induction of Face-to-Face π−π Stacking and Enhancement of Charge Carrier Properties","Chemistry of Materials","2011","23","7","1646","","10.1021/cm200356y","","","1.54187","CuKα","","","0.0529","","","","0.1521","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000757","9.2589","0.0007","10.9073","0.0008","10.9164","0.0009","66.773","0.004","80.036","0.004","89.745","0.005","995.33","0.14","123","","123","","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Okamoto, Toshihiro; Nakahara, Katsumasa; Saeki, Akinori; Seki, Shu; Oh, Joon Hak; Akkerman, Hylke B.; Bao, Zhenan; Matsuo, Yutaka","Aryl−Perfluoroaryl Substituted Tetracene: Induction of Face-to-Face π−π Stacking and Enhancement of Charge Carrier Properties","Chemistry of Materials","2011","23","7","1646","","10.1021/cm200356y","","","1.54187","CuKα","","","0.0694","","","","0.201","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000758","11.004","0.002","13.139","0.003","15.31","0.003","81.67","0.03","87.02","0.03","69.85","0.03","2056.1","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2,2,6,6-tetramethylheptane-3,5-dionato)silver(i)-triethylphosphine","","- C34 H68 Ag2 O4 P2 -","- C34 H68 Ag2 O4 P2 -","- C68 H136 Ag4 O8 P4 -","2","1","","Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku","Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films","Chemistry of Materials","2011","23","11","2901","","10.1021/cm200402j","","","0.71073","MoKα","","0.0441","0.0279","","","0.0555","0.0606","","","","","","0.987","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000759","15.573","0.003","16.835","0.003","16.276","0.003","90","","90","","90","","4267.1","1.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(2,2-dimethyl-6,6,7,7,8,8,8-heptafluoroocta-3,5-dionato)silver(I)-triethylphosphine","","- C16 H25 Ag F7 O2 P -","- C16 H25 Ag F7 O2 P -","- C128 H200 Ag8 F56 O16 P8 -","8","1","","Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku","Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films","Chemistry of Materials","2011","23","11","2901","","10.1021/cm200402j","","","0.71073","MoKα","","0.0987","0.0751","","","0.1773","0.1893","","","","","","1.911","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000760","13.464","0.008","29.985","0.017","19.717","0.011","90","","90","","90","","7960","8","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C86 H50 Cu9 N40 O22 -","- C86 H50 Cu9 N40 O22 -","- C172 H100 Cu18 N80 O44 -","2","0.5","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.1304","0.0778","","","0.1731","0.1943","","","","","","0.91","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000761","7.119","0.006","21.58","0.02","9.1","0.008","90","","90","","90","","1398","2","298","2","298","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C21 H23 Cu2 N9 O6 -","- C21 H23 Cu2 N9 O6 -","- C42 H46 Cu4 N18 O12 -","2","0.25","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.0663","0.0604","","","0.1503","0.154","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000762","7.185","0.0015","9.1854","0.0019","21.544","0.005","90","","90","","90","","1421.8","0.5","298","2","298","2","","","","","","","","6","I m a 2","I 2 -2a","46","Cu-TBA-2F","","","- C11.16 H8 Cu F0.33 N5 O3 -","- C11.164 H8 Cu F0.334 N5 O3 -","- C44.656 H32 Cu4 F1.336 N20 O12 -","4","0.5","","Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul","Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks","Chemistry of Materials","2011","23","11","2908","","10.1021/cm2004352","","","0.71073","MoKα","","0.0933","0.0723","","","0.1961","0.2091","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000763","11.185","0.0018","6.4007","0.001","14.191","0.002","90","","104.634","0.002","90","","983","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Uranyl Fluoroborate Hydrate","","","- B5 F Na O12 U -","- B5 F Na O12 U -","- B20 F4 Na4 O48 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0177","0.0164","","","0.0342","0.0347","","","","","","0.772","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000764","6.443","0.002","13.439","0.005","10.799","0.003","90","","90.625","0.007","90","","935","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Potassium Uranyl Fluoroborate","","","- B5 F K O11 U -","- B5 F K O11 U -","- B20 F4 K4 O44 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.035","0.0249","","","0.0521","0.0555","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000765","11.0914","0.0008","11.0914","0.0008","26.577","0.003","90","","90","","120","","2831.5","0.4","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","Potassium Uranyl Fluoroborate","","","- B25 F22 K11 O51 U6 -","- B25 F22 K11 O51 U6 -","- B50 F44 K22 O102 U12 -","2","0.166667","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0487","0.0262","","","0.0457","0.0501","","","","","","0.916","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000766","11.1442","0.0016","6.4828","0.0009","13.874","0.002","90","","95.462","0.002","90","","997.8","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Rubidium Uranyl Fluoroborate","","","- B5 F O11 Rb U -","- B5 F O11 Rb U -","- B20 F4 O44 Rb4 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0142","0.0136","","","0.0325","0.0328","","","","","","0.952","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000767","6.4163","0.0011","6.4663","0.0011","7.1357","0.0012","103.275","0.002","92.053","0.002","119.58","0.002","246.67","0.07","103","2","103","2","","","","","","","","5","P 1","P 1","1","Thallium Uranyl Fluoroborate","","","- B5 F O11 Tl U -","- B5 F O11 Tl U -","- B5 F O11 Tl U -","1","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0361","0.0294","","","0.0522","0.054","","","","","","0.968","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000768","11.1753","0.0016","6.3975","0.0009","14.113","0.002","90","","104.93","0.002","90","","974.9","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Neptunium (VI) Fluoroborate Hydrate","","","- B5 F Na Np O12 -","- B5 F Na Np O12 -","- B20 F4 Na4 Np4 O48 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates","Chemistry of Materials","2011","23","11","2931","","10.1021/cm2004984","","","0.71073","MoKα","","0.0175","0.0168","","","0.0343","0.0345","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000769","25.559","0.006","25.559","","25.559","","90","","90","","90","","16697","4","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C42 H48 O13 S12 Zn4 -","- C24 H6 O13 S6 Zn4 -","- C192 H48 O104 S48 Zn32 -","8","0.0416667","","He, Jun; Yee, Ka-Kit; Xu, Zhengtao; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Thioether Side Chains Improve the Stability, Fluorescence, and Metal Uptake of a Metal‒Organic Framework","Chemistry of Materials","2011","23","11","2940","","10.1021/cm200557e","","","0.71073","MoKα","","0.2272","0.0948","","","0.2878","0.333","","","","","","0.834","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000770","3.62","0.0013","3.62","0.0013","11.97","0.00012","90","","90","","120","","135.84","0.07","150","2","150","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Co S4 -","- Al2 Co S4 -","- Al2 Co S4 -","1","0.0833333","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.77535","synchrotron","","0.0288","0.0288","","","0.0545","0.0545","","","","","","1.198","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000771","3.7013","0.0013","3.7013","0.0013","36.416","0.0012","90","","90","","120","","432","0.2","150","2","150","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- Al2 Mn S4 -","- Al2 Mn S4 -","- Al6 Mn3 S12 -","3","0.166667","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.7749","synchrotron","","0.023","0.021","","","0.0513","0.0523","","","","","","1.021","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000772","3.6825","0.0013","3.6825","0.0013","12.192","0.0012","90","","90","","120","","143.18","0.07","150","2","150","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Al2 Fe S4 -","- Al2 Fe S4 -","- Al2 Fe S4 -","1","0.0833333","","Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.","High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)","Chemistry of Materials","2011","23","12","3086","","10.1021/cm200561p","","","0.7749","synchrotron","","0.0836","0.0566","","","0.1262","0.1498","","","","","","1.134","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000773","10.171","0.0012","10.171","0.0012","10.171","0.0012","90","","90","","90","","1052.2","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/0.5/3.5/8)","","- Cr Ga2 Se16 V7 -","- Cr Ga2 Se16 V7 -","- Cr2 Ga4 Se32 V14 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0284","0.0242","","","0.0489","0.0495","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000774","10.1818","0.0012","10.1818","0.0012","10.1818","0.0012","90","","90","","90","","1055.5","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/1/3/8)","","- Cr Ga Se8 V3 -","- Cr Ga Se8 V3 -","- Cr4 Ga4 Se32 V12 -","4","0.0416667","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0283","0.0241","","","0.0492","0.0497","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000775","10.1661","0.0012","10.1661","0.0012","10.1661","0.0012","90","","90","","90","","1050.7","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/1.5/2.5/8)","","- Cr3 Ga2 Se16 V5 -","- Cr3 Ga2 Se16 V5 -","- Cr6 Ga4 Se32 V10 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0383","0.0322","","","0.0713","0.0733","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000776","10.1623","0.0012","10.1623","0.0012","10.1623","0.0012","90","","90","","90","","1049.5","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/2/2/8)","","- Cr2 Ga Se8 V2 -","- Cr2 Ga Se8 V2 -","- Cr8 Ga4 Se32 V8 -","4","0.0416667","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0215","0.0209","","","0.0499","0.0501","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000777","10.2045","0.0012","10.2045","0.0012","10.2045","0.0012","90","","90","","90","","1062.6","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/2.5/1.5/8)","","- Cr5 Ga2 Se16 V3 -","- Cr5 Ga2 Se16 V3 -","- Cr10 Ga4 Se32 V6 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0249","0.0231","","","0.0507","0.0513","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000778","10.236","0.002","10.236","0.002","10.236","0.002","90","","90","","90","","1072.5","0.4","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/3/1/8)","","- Cr3 Ga Se8 V -","- Cr3 Ga Se8 V -","- Cr12 Ga4 Se32 V4 -","4","0.0416667","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0516","0.0315","","","0.0568","0.06","","","","","","0.813","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000779","10.2525","0.0012","10.2525","0.0012","10.2525","0.0012","90","","90","","90","","1077.7","0.2","293","2","293","2","","","","","","","","4","F -4 3 m","F -4 2 3","216","","Gallium chromium vanadium selenide (1/3.5/0.5/8)","","- Cr7 Ga2 Se16 V -","- Cr7 Ga2 Se16 V -","- Cr14 Ga4 Se32 V2 -","2","0.0208333","","Bichler, Daniel; Johrendt, Dirk","Interplay of Magnetism and Bonding in GaV4‒xCrxSe8","Chemistry of Materials","2011","23","11","3014","","10.1021/cm200776v","","","0.71073","MoKα","","0.0205","0.0151","","","0.0338","0.0343","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000780","7.458","0.004","7.458","0.004","7.458","0.004","90","","90","","90","","414.8","0.4","294","2","294","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Bi0.94 Mn7 O12 -","- Bi0.9448 Mn7 O12 -","- Bi1.8896 Mn14 O24 -","2","0.0416667","","Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo","Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12","Chemistry of Materials","2011","23","16","3628","","10.1021/cm200879p","","","0.71073","MoKα","","0.0269","0.0195","","","0.0326","0.0343","","","","","","1.096","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000781","6.4774","0.0016","6.4774","0.0016","6.4774","0.0016","109.57","0.03","109.57","0.03","109.57","0.03","208.44","0.16","294","2","294","2","","","","","","","","3","R 3 :R","P 3*","146","","","","- Bi0.95 Mn7 O12 -","- Bi0.947 Mn7 O12 -","- Bi0.947 Mn7 O12 -","1","0.333333","","Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo","Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12","Chemistry of Materials","2011","23","16","3628","","10.1021/cm200879p","","","0.71073","MoKα","","0.0645","0.0508","","","0.0862","0.0916","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000782","10.779","0.002","10.776","0.001","15.663","0.005","90","","99.993","0.006","90","","1791.7","0.7","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Thallium Gallium Selenide","","- Ga Se2 Tl -","- Ga Se2 Tl -","- Ga16 Se32 Tl16 -","16","2","","Johnsen, Simon; Liu, Zhifu; Peters, John A.; Song, Jung-Hwan; Peter, Sebastian C.; Malliakas, Christos D.; Cho, Nam Ki; Jin, Hosub; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Thallium Chalcogenide-Based Wide-Band-Gap Semiconductors: TlGaSe2for Radiation Detectors","Chemistry of Materials","2011","23","12","3120","","10.1021/cm200946y","","","","","","0.0652","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000783","19.1179","0.0014","19.1179","0.0014","19.1179","0.0014","90","","90","","90","","6987.5","0.9","296","2","296","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Te3 Tl2 Zr -","- Te3 Tl2 Zr -","- Te108 Tl72 Zr36 -","36","3","","Sankar, Cheriyedath Raj; Guch, Mykhailo; Assoud, Abdeljalil; Kleinke, Holger","Structural, Thermal, and Physical Properties of the Thallium Zirconium Telluride Tl2ZrTe3","Chemistry of Materials","2011","23","17","3886","","10.1021/cm200994t","","","0.71073","MoKα","","0.0481","0.0387","","","0.0602","0.0644","","","","","","1.192","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000784","11.2592","0.0009","21.3322","0.0017","13.6198","0.0011","90","","101.797","0.001","90","","3202.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rubrene endoperoxide anisole solvate","5,6,11,12-tetraphenyl-5,6-epidioxytetracene anisole solvate","","- C45.5 H32 O2.5 -","- C42 H28 O2 -","- C168 H112 O8 -","4","1","","Fumagalli, Enrico; Raimondo, Luisa; Silvestri, Leonardo; Moret, Massimo; Sassella, Adele; Campione, Marcello","Oxidation Dynamics of Epitaxial Rubrene Ultrathin Films","Chemistry of Materials","2011","23","13","3246","","10.1021/cm201230j","","","0.71073","MoKα","","0.097","0.0518","","","0.1332","0.1683","","","","","","0.724","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000785","7.6249","0.0006","11.1636","0.0009","22.6554","0.0019","101.703","0.001","94.307","0.001","97.867","0.001","1860","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","rubrene endoperoxide dioxane solvate","5,6,11,12-tetraphenyl-5,6-epidioxytetracene dioxane solvate","","- C50 H44 O6 -","- C50 H44 O6 -","- C100 H88 O12 -","2","1","","Fumagalli, Enrico; Raimondo, Luisa; Silvestri, Leonardo; Moret, Massimo; Sassella, Adele; Campione, Marcello","Oxidation Dynamics of Epitaxial Rubrene Ultrathin Films","Chemistry of Materials","2011","23","13","3246","","10.1021/cm201230j","","","0.71073","MoKα","","0.0691","0.0481","","","0.1174","0.1294","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000786","10.452","","6.391","","10.874","","90","","90","","90","","726.369","","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Co F0 Li2 O5 P -","- Co F Li2 O4 P -","- Co8 F8 Li16 O32 P8 -","8","1","","Hadermann, Joke; Abakumov, Artem M.; Turner, Stuart; Hafideddine, Zainab; Khasanova, Nellie R.; Antipov, Evgeny V.; Van Tendeloo, Gustaaf","Solving the Structure of Li Ion Battery Materials with Precession Electron Diffraction: Application to Li2CoPO4F","Chemistry of Materials","2011","23","15","3540","","10.1021/cm201257b","","","0.025","726.3693","","0.244","0.2421","","","0.2371","0.2371","","","","9.11","9.11","8.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000787","18.4561","0.0006","19.2278","0.0007","21.1756","0.0009","75.381","0.002","89.901","0.002","89.104","0.002","7270.4","0.5","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","dilithium (N-methyl-N-butylpyrrolidinium) tris(bis(trifluoromethanesulfonyl)imide","","- C60 H80 F72 Li8 N16 O48 S24 -","- C60 H80.044 F72 Li8 N16 O48 S24 -","- C120 H160.088 F144 Li16 N32 O96 S48 -","2","1","","Zhou, Qian; Boyle, Paul D.; Malpezzi, Luciana; Mele, Andrea; Shin, Joon-Ho; Passerini, Stefano; Henderson, Wesley A.","Phase Behavior of Ionic Liquid‒LiX Mixtures: Pyrrolidinium Cations and TFSI‒Anions ‒ Linking Structure to Transport Properties","Chemistry of Materials","2011","23","19","4331","","10.1021/cm201427k","","","0.71073","MoKα","","0.1482","0.0481","","","0.0612","0.0721","","","","","","0.729","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000788","18.4848","0.0006","19.1867","0.0006","22.1063","0.0008","74.5677","0.0019","88.853","0.002","89.2831","0.0018","7555.9","0.4","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H88 F72 Li8 N16 O48 S24 -","- C64 H88 F72 Li8 N16 O48 S24 -","- C128 H176 F144 Li16 N32 O96 S48 -","2","1","","Zhou, Qian; Boyle, Paul D.; Malpezzi, Luciana; Mele, Andrea; Shin, Joon-Ho; Passerini, Stefano; Henderson, Wesley A.","Phase Behavior of Ionic Liquid‒LiX Mixtures: Pyrrolidinium Cations and TFSI‒Anions ‒ Linking Structure to Transport Properties","Chemistry of Materials","2011","23","19","4331","","10.1021/cm201427k","","","0.71073","MoKα","","0.0947","0.0485","","","0.1131","0.1395","","","","","","1.013","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000789","8.27528","0.00015","8.27528","","8.27528","","90","","90","","90","","566.693","0.01","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li2.03 Ni O8 -","- Ge3 Li2.03043 Ni O8 -","- Ge12 Li8.12172 Ni4 O32 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.07198","","1.49","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000790","8.19851","0.00011","8.19851","","8.19851","","90","","90","","90","","551.067","0.007","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li2 Ni O8 -","- Ge3 Li2 Ni O8 -","- Ge12 Li8 Ni4 O32 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.05515","","1.53","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000791","8.28823","0.00017","8.28823","","8.28823","","90","","90","","90","","569.358","0.012","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- Ge3 Li1.99 O8 Zn -","- Ge3 Li1.99416 O8 Zn -","- Ge12 Li7.97664 O32 Zn4 -","4","0.166667","","Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.","Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)","Chemistry of Materials","2011","23","15","3556","","10.1021/cm201429f","powder diffraction","neutron","","","","","","","","","","0.11522","","1.43","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000792","14.8683","0.0002","5.6636","0.0001","17.6849","0.0003","90","","90","","90","","1489.21","0.04","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba Mo2 O9 Te -","- Ba Mo2 O9 Te -","- Ba8 Mo16 O72 Te8 -","8","2","","Zhang, Junjie; Zhang, Zhonghan; Zhang, Weiguo; Zheng, Qingxin; Sun, Youxuan; Zhang, Chengqian; Tao, Xutang","Polymorphism of BaTeMo2O9: A New Polar Polymorph and the Phase Transformation","Chemistry of Materials","2011","23","16","3752","","10.1021/cm2015143","","","0.71073","MoKα","","0.022","0.0205","","","0.0383","0.0387","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000793","9.955","0.003","9.955","0.003","4.228","0.003","90","","90","","120","","362.9","0.3","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.76 K0.24 La0.67 Te2 -","- Cu1.758 K0.241333 La0.666667 Te2 -","- Cu5.274 K0.724 La2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0274","0.0268","","","0.0613","0.0617","","","","","","1.218","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000794","9.9649","0.0009","9.9649","0.0009","4.2042","0.0009","90","","90","","120","","361.54","0.09","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ce0.67 Cu1.76 K0.24 Te2 -","- Ce0.666667 Cu1.756 K0.243333 Te2 -","- Ce2 Cu5.268 K0.73 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.021","0.0203","","","0.0422","0.0426","","","","","","1.32","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000795","9.9598","0.0007","9.9598","0.0007","4.1763","0.0006","90","","90","","120","","358.78","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.75 K0.25 Pr0.67 Te2 -","- Cu1.746 K0.254 Pr0.666667 Te2 -","- Cu5.238 K0.762 Pr2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0203","0.02","","","0.0438","0.0439","","","","","","1.259","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000796","9.9683","0.0006","9.9683","0.0006","4.159","0.0005","90","","90","","120","","357.9","0.05","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.74 K0.26 Nd0.67 Te2 -","- Cu1.744 K0.255333 Nd0.666667 Te2 -","- Cu5.232 K0.766 Nd2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0147","0.0139","","","0.0305","0.0308","","","","","","1.246","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000797","10.0056","0.0008","10.0056","0.0008","4.2336","0.0006","90","","90","","120","","367.05","0.07","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.76 La0.67 Rb0.24 Te2 -","- Cu1.762 La0.666667 Rb0.238667 Te2 -","- Cu5.286 La2 Rb0.716 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.024","0.0231","","","0.0498","0.0503","","","","","","1.244","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000798","10.0014","0.0008","10.0014","0.0008","4.1976","0.0006","90","","90","","120","","363.62","0.07","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ce0.67 Cu1.76 Rb0.24 Te2 -","- Ce0.666667 Cu1.764 Rb0.235333 Te2 -","- Ce2 Cu5.292 Rb0.706 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0198","0.019","","","0.0414","0.0417","","","","","","1.311","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000799","9.9955","0.0006","9.9955","0.0006","4.1643","0.0005","90","","90","","120","","360.31","0.05","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.78 Pr0.67 Rb0.22 Te2 -","- Cu1.782 Pr0.666667 Rb0.218 Te2 -","- Cu5.346 Pr2 Rb0.654 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0209","0.0208","","","0.0456","0.0457","","","","","","1.259","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000800","9.9985","0.0008","9.9985","0.0008","4.1487","0.0006","90","","90","","120","","359.18","0.07","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cu1.77 Nd0.67 Rb0.23 Te2 -","- Cu1.768 Nd0.666667 Rb0.232 Te2 -","- Cu5.304 Nd2 Rb0.696 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0212","0.0211","","","0.0507","0.0507","","","","","","1.277","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000801","10.0841","0.0006","10.0841","0.0006","4.2366","0.0006","90","","90","","120","","373.1","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs0.25 Cu1.75 La0.67 Te2 -","- Cs0.251333 Cu1.7488 La0.666667 Te2 -","- Cs0.754 Cu5.2464 La2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.021","0.0202","","","0.0386","0.0389","","","","","","1.216","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000802","10.0777","0.0007","10.0777","0.0007","4.1918","0.0005","90","","90","","120","","368.68","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ce0.67 Cs0.26 Cu1.74 Te2 -","- Ce0.666667 Cs0.256 Cu1.744 Te2 -","- Ce2 Cs0.768 Cu5.232 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0207","0.0203","","","0.0437","0.0439","","","","","","1.248","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000803","10.0763","0.0008","10.0763","0.0008","4.1702","0.0005","90","","90","","120","","366.68","0.06","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs0.24 Cu1.76 Pr0.67 Te2 -","- Cs0.244 Cu1.756 Pr0.666667 Te2 -","- Cs0.732 Cu5.268 Pr2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0189","0.0183","","","0.0408","0.0412","","","","","","1.201","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000804","10.0695","0.0009","10.0695","0.0009","4.1461","0.0008","90","","90","","120","","364.07","0.08","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Cs0.25 Cu1.75 Nd0.67 Te2 -","- Cs0.249333 Cu1.75 Nd0.666667 Te2 -","- Cs0.748 Cu5.25 Nd2 Te6 -","3","0.25","","Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling","Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)","Chemistry of Materials","2011","23","22","4910","","10.1021/cm201574a","","","0.71073","MoKα","","0.0242","0.0235","","","0.0443","0.0446","","","","","","1.246","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000805","5.3535","0.0002","5.3535","0.0002","31.0814","0.0012","90","","90","","120","","771.45","0.05","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ce0.33 Pt1.67 Sb0.33 -","- Ce Pt5 Sb -","- Ce6 Pt30 Sb6 -","6","0.333333","","Salamakha, L.; Bauer, E.; Michor, H.; Hilscher, G.; Müller, H.; Svagera, R.; Sologub, O.; Rogl, P.; Hester, J.; Roisnel, T.; Giester, G.; Mudryi, S.","First-Order Phase Transition in a New CaCu5-Related Antimonide, CePt5Sb","Chemistry of Materials","2011","23","17","4016","","10.1021/cm201584f","","","0.71073","MoKα","","0.0322","0.0242","","","0.0544","0.0559","","","","","","1.061","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000806","4.62","0.002","5.747","0.009","4.857","0.003","91.34","0.1","91.48","0.05","84.68","0.09","128.3","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.45","","","0.0431","0.0382","","","0.0917","0.0934","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000807","4.542","0.006","5.461","0.016","4.98","0.009","90.5","0.2","86.8","0.13","89.84","0.19","123.3","0.5","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","0.5","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.45","","","0.0308","0.0308","","","0.0663","0.0663","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000808","4.695","0.001","5.832","0.001","4.876","0.001","91.64","0.03","92.39","0.03","82.93","0.03","132.34","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.71073","MoKα","","0.0351","0.0342","","","0.0923","0.0932","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000809","4.708","0.001","5.84","0.001","4.884","0.001","91.77","0.03","92.47","0.03","82.81","0.03","133.06","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Cu O4 W -","- Cu O4 W -","- Cu2 O8 W2 -","2","1","","Ruiz-Fuertes, J.; Friedrich, A.; Pellicer-Porres, J.; Errandonea, D.; Segura, A.; Morgenroth, W.; Haussühl, E.; Tu, C.-Y.; Polian, A.","Structure Solution of the High-Pressure Phase of CuWO4and Evolution of the Jahn‒Teller Distortion","Chemistry of Materials","2011","23","18","4220","","10.1021/cm201592h","","","0.71073","MoKα","","0.0267","0.0256","","","0.0653","0.0658","","","","","","1.217","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000810","7.798","0.015","7.212","0.014","10.351","0.019","90","","93.97","0.02","90","","580.7","1.9","125","2","125","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Cs2 Cu3 F12 Zr -","- Cs2 Cu3 F12 Zr -","- Cs4 Cu6 F24 Zr2 -","2","0.5","","Reisinger, Sandra A.; Tang, Chiu C.; Thompson, Stephen P.; Morrison, Finlay D.; Lightfoot, Philip","Structural Phase Transition in theS=1/2Kagome System Cs2ZrCu3F12and a Comparison to the Valence-Bond-Solid Phase in Rb2SnCu3F12","Chemistry of Materials","2011","23","18","4234","","10.1021/cm201762f","","","0.71073","MoKα","","0.062","0.0489","","","0.1022","0.1087","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000811","7.156","0.0019","7.156","0.0019","20.447","0.007","90","","90","","120","","906.8","0.5","292","2","292","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Cs2 Cu3 F12 Zr -","- Cs2 Cu3 F12 Zr -","- Cs6 Cu9 F36 Zr3 -","3","0.0833333","","Reisinger, Sandra A.; Tang, Chiu C.; Thompson, Stephen P.; Morrison, Finlay D.; Lightfoot, Philip","Structural Phase Transition in theS=1/2Kagome System Cs2ZrCu3F12and a Comparison to the Valence-Bond-Solid Phase in Rb2SnCu3F12","Chemistry of Materials","2011","23","18","4234","","10.1021/cm201762f","","","0.71073","MoKα","","0.0516","0.0474","","","0.0993","0.1041","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000812","5.60125","0.00009","15.661","0.0002","11.25153","0.00017","90","","90","","90","","987","0.03","0","","0","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Fe0.75 Mn0.25 O3 -","- Bi Fe0.75 Mn0.25 O3 -","- Bi16 Fe12 Mn4 O48 -","16","2","","Belik, Alexei A.; Abakumov, Artem M.; Tsirlin, Alexander A.; Hadermann, Joke; Kim, Jungeun; Van Tendeloo, Gustaaf; Takayama-Muromachi, Eiji","Structure and Magnetic Properties of BiFe0.75Mn0.25O3Perovskite Prepared at Ambient and High Pressure","Chemistry of Materials","2011","23","20","4505","","10.1021/cm201774y","powder diffraction","","0.41916","X-ray","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000813","7.6205","0.0002","7.6205","0.0002","32.3603","0.0007","90","","90","","90","","1879.23","0.08","293","","293","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","","","- In2 S3 -","- In2 S3 -","- In32 S48 -","16","0.5","","Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.","Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3","Chemistry of Materials","2011","23","23","5168","","10.1021/cm201830e","","","0.71069","MoKα","","0.0325","0.0229","","","0.068","0.0755","","","","1.16","1.16","1.17","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000814","7.6038","0.0005","7.6038","0.0005","32.26","0.002","90","","90","","90","","1865.2","0.2","293","","293","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Al0.06 In1.94 S3 -","- Al0.06 In1.94 S3 -","- Al0.96 In31.04 S48 -","16","0.5","","Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.","Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3","Chemistry of Materials","2011","23","23","5168","","10.1021/cm201830e","","","0.71069","MoKα","","0.0657","0.0391","","","0.0854","0.1009","","","","1.17","1.17","1.18","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000815","10.699","0.0007","10.699","0.0007","10.699","0.0007","90","","90","","90","","1224.7","0.14","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al0.293 In2.373 S4 -","- Al0.293 In2.374 S4 -","- Al2.344 In18.992 S32 -","8","0.0416667","","Lafond, A.; Rocquefelte, X.; Paris, M.; Guillot-Deudon, C.; Jouenne, V.","Crystal Chemistry and Electronic Structure of the Photovoltaic Buffer Layer, (In1-xAlx)2S3","Chemistry of Materials","2011","23","23","5168","","10.1021/cm201830e","","","0.71069","MoKα","","0.064","0.0474","","","0.1086","0.1144","","","","1.7","1.7","1.57","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000816","20.041","0.003","16.808","0.003","9.9175","0.0013","90","","100.606","0.005","90","","3283.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ea007","ea007","","- C74 H78 N2 O4 S8 -","- C74 H78 N2 O4 S8 -","- C148 H156 N4 O8 S16 -","2","0.5","","Ahmed, Eilaf; Ren, Guoqiang; Kim, Felix S.; Hollenbeck, Emily C.; Jenekhe, Samson A.","Design of New Electron Acceptor Materials for Organic Photovoltaics: Synthesis, Electron Transport, Photophysics, and Photovoltaic Properties of Oligothiophene-Functionalized Naphthalene Diimides","Chemistry of Materials","2011","23","20","4563","","10.1021/cm2019668","","","0.71073","MoKα","","0.2102","0.0995","","","0.2407","0.3197","","","","","","0.995","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000817","11.493","0.002","6.6953","0.0013","12.937","0.003","90","","114.98","0.03","90","","902.4","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Hg3 S4 Tl2 -","- Hg3 S4 Tl2 -","- Hg12 S16 Tl8 -","4","0.5","","Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors","Chemistry of Materials","2011","23","19","4375","","10.1021/cm2019857","","","0.71073","MoKα","","0.0667","0.0463","","","0.1058","0.1351","","","","","","1.15","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000818","11.977","0.002","6.9264","0.0014","13.203","0.003","90","","116.36","0.03","90","","981.4","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Hg3 Se4 Tl2 -","- Hg3 Se4 Tl2 -","- Hg12 Se16 Tl8 -","4","0.5","","Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors","Chemistry of Materials","2011","23","19","4375","","10.1021/cm2019857","","","0.71073","MoKα","","0.0705","0.0589","","","0.1307","0.1358","","","","","","1.179","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000819","12.648","0.003","7.3574","0.0015","13.701","0.003","90","","117.48","0.03","90","","1131.1","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Hg3 Te4 Tl2 -","- Hg3 Te4 Tl2 -","- Hg12 Te16 Tl8 -","4","0.5","","Johnsen, Simon; Peter, Sebastian C.; Nguyen, Sandy L.; Song, Jung-Hwan; Jin, Hosub; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Tl2Hg3Q4(Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors","Chemistry of Materials","2011","23","19","4375","","10.1021/cm2019857","","","0.71073","MoKα","","0.0731","0.0513","","","0.0973","0.1032","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000820","6.2034","0.0016","16.478","0.004","14.518","0.004","90","","92.406","0.004","90","","1482.7","0.7","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 N2 O6 -","- C32 H44 N2 O6 -","- C64 H88 N4 O12 -","2","0.5","","Wang, Siyi; Hall, Lincoln; Diev, Vyacheslav V.; Haiges, Ralf; Wei, Guodan; Xiao, Xin; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","N,N-Diarylanilinosquaraines and Their Application to Organic Photovoltaics","Chemistry of Materials","2011","23","21","4789","","10.1021/cm2020803","","","0.71073","MoKα","","0.089","0.0477","","","0.1021","0.1147","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000821","11.1895","0.0009","11.7874","0.0011","11.9792","0.0009","96.371","0.008","91.176","0.007","92.485","0.007","1568.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","DPSQ","","","- C40 H28 N2 O6 -","- C40 H28 N2 O6 -","- C80 H56 N4 O12 -","2","1","","Wang, Siyi; Hall, Lincoln; Diev, Vyacheslav V.; Haiges, Ralf; Wei, Guodan; Xiao, Xin; Djurovich, Peter I.; Forrest, Stephen R.; Thompson, Mark E.","N,N-Diarylanilinosquaraines and Their Application to Organic Photovoltaics","Chemistry of Materials","2011","23","21","4789","","10.1021/cm2020803","","","1.54178","CuKα","","0.1154","0.0819","","","0.224","0.2434","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000823","19.9092","0.0005","7.7405","0.0001","9.5638","0.0002","90","","90","","90","","1473.85","0.05","293","","293","","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C15 H20 N3 O3 -","- C15 H20 N3 O3 -","- C60 H80 N12 O12 -","4","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71073","MoKα","","0.0495","0.0363","","","0.0924","0.0991","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000824","13.922","0.005","11.778","0.005","24.558","0.005","90","","90","","90","","4027","2","293","","293","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N3 O4 -","- C18 H26 N3 O4 -","- C144 H208 N24 O32 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.1065","0.084","","","0.2337","0.2643","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000825","7.738","0.005","19.085","0.005","9.148","0.005","90","0.005","102.262","0.005","90","0.005","1320.2","1.2","293","","293","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C52 H72 N12 O8 -","4","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.0716","0.0425","","","0.1043","0.1193","","","","","","1.023","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000826","13.7796","0.0007","12.3236","0.0006","16.0651","0.0004","90","","90","","90","","2728.1","0.2","293","","293","","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.71069","MoKα","","0.1108","0.0598","","","0.1436","0.1713","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000827","13.7284","0.0006","12.2673","0.0006","16.0254","0.0008","90","","90","","90","","2698.8","0.2","15","2","15","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole-3-oxide-1-oxyl","2-(para-aminophenyl)-4,4,5,5-tetramethyl-4,5-dihydro- 1H-imidazole-3-oxide-1-oxyl","","- C13 H18 N3 O2 -","- C13 H18 N3 O2 -","- C104 H144 N24 O16 -","8","1","","Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.","Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials","Chemistry of Materials","2011","23","21","4844","","10.1021/cm202303q","","x-ray","0.4428","synchrotron","","0.0799","0.0622","","","0.1756","0.1975","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000828","7.3599","0.0004","24.7921","0.0013","29.7428","0.0016","90","","94.438","0.002","90","","5410.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Cs.3DMF","","","- C57 H45 Cs Fe N7 Ni O11 -","- C57 H24 Cs Fe N7 Ni O11 -","- C228 H96 Cs4 Fe4 N28 Ni4 O44 -","4","0.5","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1049","0.0921","","","0.2421","0.2591","","","","","","1.089","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000829","7.2383","0.0004","24.673","0.0013","30.0729","0.0017","90","","94.671","0.002","90","","5352.9","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Cs.3DMF","","","- C57 H45 Fe N7 Ni O11 Rb -","- C57 H24 Fe N7 Ni O11 Rb -","- C228 H96 Fe4 N28 Ni4 O44 Rb4 -","4","0.5","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1631","0.1309","","","0.2887","0.3053","","","","","","1.132","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000830","7.3772","0.0013","24.965","0.004","29.96","0.005","90","","93.307","0.004","90","","5508.6","1.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Cs","","","- C24 H12 Cs0.5 Fe0.5 N2 Ni0.5 O4 -","- C24 H12 Cs0.5 Fe0.5 N2 Ni0.5 O4 -","- C192 H96 Cs4 Fe4 N16 Ni4 O32 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1455","0.0648","","","0.1532","0.1768","","","","","","0.832","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000831","7.366","0.003","25.065","0.01","30.377","0.012","90","","93.03","0.008","90","","5601","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Rb","","","- C24 H12 Fe0.5 N2 Ni0.5 O4 Rb0.5 -","- C24 H12 Fe0.5 N2 Ni0.5 O4 Rb0.5 -","- C192 H96 Fe4 N16 Ni4 O32 Rb4 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1618","0.0837","","","0.2193","0.2463","","","","","","0.861","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000832","7.228","0.004","24.997","0.016","30.902","0.017","90","","93.167","0.015","90","","5575","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)K(H2O)","","","- C24 H12 Fe0.5 K0.5 N2 Ni0.5 O4.5 -","- C24 H12 Fe0.5 K0.5 N2 Ni0.5 O4.5 -","- C192 H96 Fe4 K4 N16 Ni4 O36 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.194","0.0824","","","0.1999","0.2394","","","","","","0.793","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000833","7.09","0.002","25.628","0.009","30.347","0.01","90","","93.375","0.007","90","","5505","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Na","","","- C24 H12 Fe0.5 N2 Na0.5 Ni0.5 O4 -","- C24 H12 Fe0.5 N2 Na0.5 Ni0.5 O4 -","- C192 H96 Fe4 N16 Na4 Ni4 O32 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.2749","0.1151","","","0.2803","0.3192","","","","","","0.741","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000834","7.4852","0.0011","24.226","0.004","30.107","0.004","90","","93.299","0.004","90","","5450.4","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Fe(NiPp-TC)Li","","","- C24 H12 Fe0.5 Li0.5 N2 Ni0.5 O4 -","- C24 H12 Fe0.5 Li0.5 N2 Ni0.5 O4 -","- C192 H96 Fe4 Li4 N16 Ni4 O32 -","8","1","","Fateeva, Alexandra; Devautour-Vinot, Sabine; Heymans, Nicolas; Devic, Thomas; Grenèche, Jean-Marc; Wuttke, Stefan; Miller, Stuart; Lago, Ana; Serre, Christian; De Weireld, Guy; Maurin, Guillaume; Vimont, Alexandre; Férey, Gérard","Series of Porous 3-D Coordination Polymers Based on Iron(III) and Porphyrin Derivatives","Chemistry of Materials","2011","23","20","4641","","10.1021/cm2025747","","","0.71073","MoKα","","0.1741","0.0705","","","0.1744","0.1989","","","","","","0.764","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000835","4.6232","0.0009","8.008","0.003","14.182","0.003","90","","90","0.03","90","","525.1","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- B2 Be2 Ca F Na O6 -","- B2 Be2 Ca F Na O6 -","- B8 Be8 Ca4 F4 Na4 O24 -","4","1","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0604","0.0546","","","0.1285","0.1304","","","","","","0.999","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000836","4.7054","0.0016","4.7054","0.0016","14.554","0.003","90","","90","","120","","279.07","0.15","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- B2 Be2 Ca F K O6 -","- B2 Be2 Ca F K O6 -","- B4 Be4 Ca2 F2 K2 O12 -","2","0.166667","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0215","0.0193","","","0.0666","0.0688","","","","","","1.09","","","","has coordinates","265253","2021-05-16","09:36:35",""
"4000837","4.7652","0.001","4.7652","0.001","15.05","0.003","90","","90","","120","","295.96","0.11","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B2 Be2 F K O6 Sr -","- B2 Be2 F K O6 Sr -","- B4 Be4 F2 K2 O12 Sr2 -","2","0.166667","","Huang, Hongwei; Yao, Jiyong; Lin, Zheshuai; Wang, Xiaoyang; He, Ran; Yao, Wenjiao; Zhai, Naixia; Chen, Chuangtian","Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)","Chemistry of Materials","2011","23","24","5457","","10.1021/cm202870q","","","0.71073","MoKα","","0.0392","0.0302","","","0.0603","0.0612","","","","","","2.203","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000838","7.203","0.001","7.349","0.0008","11.965","0.002","93.495","0.008","75.196","0.007","97.368","0.008","607.02","0.15","300","2","300","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0711","0.0542","","","0.1498","0.1635","","","","","","1.092","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000839","7.199","0.0009","7.336","0.0008","11.959","0.0018","93.433","0.007","75.131","0.006","97.349","0.007","605.17","0.14","285","2","285","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.069","0.0544","","","0.1524","0.1641","","","","","","1.107","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000840","7.197","0.0011","7.324","0.0009","11.952","0.0019","93.346","0.009","75.079","0.007","97.358","0.008","603.53","0.15","270","2","270","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0708","0.0571","","","0.1579","0.1684","","","","","","1.115","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000841","7.194","0.0016","7.319","0.0013","11.932","0.003","93.239","0.012","75.099","0.011","97.384","0.012","601.9","0.2","260","2","260","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0779","0.0607","","","0.1697","0.1833","","","","","","1.082","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000842","9.753","0.006","10.95","0.004","11.442","0.006","101.81","0.03","99.24","0.03","90.64","0.03","1179.3","1.1","260","2","260","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1384","0.0779","","","0.1961","0.2404","","","","","","0.946","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000843","9.765","0.005","10.969","0.003","11.415","0.006","101.8","0.03","99.37","0.02","90.4","0.03","1179.9","0.9","250","2","250","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1194","0.0699","","","0.1795","0.2092","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000844","9.778","0.004","11.03","0.002","11.319","0.004","101.67","0.018","99.762","0.015","89.71","0.02","1177.7","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0953","0.0623","","","0.1727","0.1921","","","","","","1.048","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000845","9.76","0.003","11.083","0.0018","11.203","0.003","101.661","0.016","100.219","0.013","88.723","0.017","1167.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0713","0.0471","","","0.1234","0.1339","","","","","","1.104","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000846","9.736","0.003","11.087","0.0017","11.127","0.003","101.646","0.015","100.553","0.012","87.977","0.015","1156.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Me0.03EDO-TTF)2PF6","","","- C16.06 H12.12 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0597","0.0423","","","0.1104","0.1179","","","","","","1.066","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000847","7.205","0.0007","7.35","0.0016","11.982","0.002","93.527","0.009","75.232","0.009","97.288","0.009","608.33","0.18","300","2","300","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0726","0.0541","","","0.1621","0.1797","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000848","7.2","0.0007","7.326","0.0015","11.97","0.002","93.387","0.009","75.134","0.009","97.3","0.01","605.07","0.17","270","2","270","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.066","0.05","","","0.1498","0.1622","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000849","7.198","0.0006","7.312","0.0014","11.962","0.002","93.288","0.008","75.048","0.008","97.309","0.01","603.12","0.16","250","2","250","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0609","0.0478","","","0.1412","0.15","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000850","7.195","0.0006","7.302","0.0013","11.955","0.002","93.214","0.008","75.002","0.008","97.305","0.009","601.59","0.16","240","2","240","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.06","0.0463","","","0.1343","0.1442","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000851","9.618","0.005","10.918","0.006","11.881","0.007","101.87","0.03","98.4","0.03","90.83","0.03","1206.6","1.2","230","2","230","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.2453","0.1554","","","0.4291","0.4968","","","","","","1.563","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000852","9.805","0.003","10.998","0.004","11.487","0.004","101.766","0.017","99.688","0.018","89.901","0.018","1194.7","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1231","0.0749","","","0.1928","0.2234","","","","","","0.952","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000853","9.778","0.0012","11.065","0.0016","11.268","0.002","101.666","0.008","100.121","0.008","88.786","0.008","1175.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.095","0.0649","","","0.1765","0.1941","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000854","9.759","0.0011","11.087","0.0015","11.162","0.0017","101.643","0.007","100.52","0.008","87.955","0.007","1163","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Me0.05EDO-TTF)2PF6","","","- C16.1 H12.2 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0674","0.0462","","","0.1137","0.1232","","","","","","0.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000855","7.211","0.0006","7.354","0.0011","12.022","0.0015","93.608","0.006","75.377","0.007","97.105","0.008","611.8","0.13","300","2","300","2","","","","","","","","6","P -1","-P 1","2","(Me0.13EDO-TTF)2PF6","","","- C16.26 H12.52 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0754","0.0667","","","0.1845","0.1951","","","","","","1.195","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000856","7.2","0.0006","7.315","0.001","12.004","0.0016","93.38","0.006","75.248","0.007","97.045","0.007","606.52","0.13","250","2","250","2","","","","","","","","6","P -1","-P 1","2","(Me0.13EDO-TTF)2PF6","","","- C16.26 H12.52 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0719","0.0646","","","0.1719","0.1814","","","","","","1.177","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000857","7.192","0.0006","7.277","0.0007","11.981","0.0014","93.097","0.005","75.109","0.007","97.041","0.006","601.25","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","(Me0.13EDO-TTF)2PF6","","","- C16.26 H12.52 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0714","0.0659","","","0.1812","0.1901","","","","","","1.14","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000858","9.552","0.001","10.815","0.0009","11.95","0.0014","101.836","0.006","99.191","0.006","90.42","0.007","1191.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Me0.13EDO-TTF)2PF6","","","- C16.26 H12.52 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1043","0.0825","","","0.2607","0.2937","","","","","","1.089","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000859","9.517","0.0014","10.806","0.0011","11.928","0.0019","101.663","0.009","99.631","0.007","90.246","0.008","1183.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Me0.13EDO-TTF)2PF6","","","- C16.26 H12.52 F6 O4 P S8 -","- C16 H12 F6 O4 P S8 -","- C32 H24 F12 O8 P2 S16 -","2","1","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0871","0.0561","","","0.1827","0.2029","","","","","","1.136","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000860","7.2405","0.0018","7.355","0.0016","12.1","0.003","93.735","0.018","75.445","0.016","96.877","0.014","618.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Me0.22EDO-TTF)2PF6","","","- C16.44 H12.88 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","- C16 H4 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1273","0.0919","","","0.2451","0.2843","","","","","","1.011","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000861","7.237","0.003","7.376","0.0016","12.128","0.005","93.88","0.03","75.44","0.02","96.92","0.02","621.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Me0.37EDO-TTF)2PF6","","","- C16.74 H13.48 F6 O4 P S8 -","- C16.74 F6 O4 P S8 -","- C16.74 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1369","0.0716","","","0.2014","0.2562","","","","","","1.047","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000862","7.271","0.003","7.372","0.003","12.219","0.005","93.8","0.03","75.47","0.03","96.7","0.02","629.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(Me0.44EDO-TTF)2PF6","","","- C16.88 H13.76 F6 O4 P S8 -","- C16.88 F6 O4 P S8 -","- C16.88 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1598","0.0824","","","0.239","0.296","","","","","","0.909","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000863","7.286","0.0011","7.355","0.0017","12.258","0.003","93.91","0.012","75.497","0.011","96.689","0.012","631.1","0.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","(Me0.48EDO-TTF)2PF6","","","- C16.96 H13.92 F6 O4 P S8 -","- C16.96 F6 O4 P S8 -","- C16.96 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.1076","0.075","","","0.2042","0.2318","","","","","","1.001","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000864","7.23","0.0009","7.261","0.0011","12.169","0.002","93.31","0.009","75.702","0.01","96.155","0.008","615.16","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Me0.48EDO-TTF)2PF6","","","- C16.96 H13.92 F6 O4 P S8 -","- C16.96 F6 O4 P S8 -","- C16.96 F6 O4 P S8 -","1","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0728","0.0529","","","0.151","0.1635","","","","","","1.08","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000865","29.658","0.004","12.608","0.0015","6.99","0.0012","90","","90","","90","","2613.8","0.6","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","(Me0.91EDO-TTF)2PF6","","","- C17.82 H15.64 F6 O4 P S8 -","- C17.82 H7.42 F6 O4 P S8 -","- C71.28 H29.68 F24 O16 P4 S32 -","4","0.25","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.121","0.0734","","","0.2129","0.2552","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000866","29.662","0.003","12.615","0.0013","6.994","0.0005","90","","90","","90","","2617.1","0.4","300","2","300","2","","","","","","","","6","C m c m","-C 2c 2","63","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H8 F6 O4 P S8 -","- C72 H32 F24 O16 P4 S32 -","4","0.25","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0878","0.0696","","","0.2008","0.2183","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000867","29.459","0.004","12.607","0.002","6.947","0.0005","90","","90","","90","","2580","0.6","250","2","250","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H16 F6 O4 P S8 -","- C72 H64 F24 O16 P4 S32 -","4","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0962","0.0739","","","0.1822","0.2062","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000868","29.396","0.003","12.564","0.0018","6.906","0.0005","90","","90","","90","","2550.6","0.5","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H16 F6 O4 P S8 -","- C72 H64 F24 O16 P4 S32 -","4","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.068","0.0501","","","0.1437","0.1553","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000869","29.313","0.012","12.572","0.007","6.818","0.0019","90","","90","","90","","2512.6","1.9","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(Me0.94EDO-TTF)2PF6","","","- C17.88 H15.76 F6 O4 P S8 -","- C18 H16 F6 O4 P S8 -","- C72 H64 F24 O16 P4 S32 -","4","0.5","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.157","0.064","","","0.1551","0.203","","","","","","0.893","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000870","29.672","0.003","12.609","0.0014","6.992","0.0004","90","","90","","90","","2615.9","0.4","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","(Me0.97EDO-TTF)2PF6","","","- C17.94 H15.88 F6 O4 P S8 -","- C18 H8 F6 O4 P S8 -","- C72 H32 F24 O16 P4 S32 -","4","0.25","","Murata, Tsuyoshi; Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Uruichi, Mikio; Yakushi, Kyuya; Saito, Gunzi; Tanaka, Koichiro","Tuning of Multi-Instabilities in Organic Alloy, [(EDO-TTF)1−x(MeEDO-TTF)x]2PF6","Chemistry of Materials","2010","22","10","3121","","10.1021/cm100051b","","","0.71073","MoKα","","0.0951","0.0789","","","0.2347","0.2596","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000871","5.0575","0.0004","10.4562","0.001","17.5105","0.0017","90","","90","","90","","925.99","0.15","299","2","299","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3 Mo3 O12 V -","- Li2.96 Mo3 O12 V1.044 -","- Li11.84 Mo12 O48 V4.176 -","4","0.5","","Mikhailova, D.; Sarapulova, A.; Voss, A.; Thomas, A.; Oswald, S.; Gruner, W.; Trots, D. M.; Bramnik, N. N.; Ehrenberg, H.","Li3V(MoO4)3: A New Material for Both Li Extraction and Insertion","Chemistry of Materials","2010","22","10","3165","","10.1021/cm100213a","","","0.71073","MoKα","","0.0282","0.0248","","","0.0757","0.0775","","","","","","1.133","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000872","20.1503","0.0006","9.3143","0.0003","19.2849","0.0007","90","","90","","90","","3619.5","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H61 Li Mg3 O5 -","- C31 H61 Li Mg3 O5 -","- C124 H244 Li4 Mg12 O20 -","4","1","","Heitz, Stephan; Epping, Jan-Dirk; Aksu, Yilmaz; Driess, Matthias","Molecular Heterobimetallic Approach to Li-Containing MgO Nanoparticles with Variable Li-Concentrations Using Lithium-Methylmagnesium Alkoxide Clusters","Chemistry of Materials","2010","22","16","4563","","10.1021/cm100415m","","","0.71073","MoKα","","0.0951","0.0732","","","0.1424","0.1502","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000873","9.5228","","5.4869","","5.4818","","90","","125.222","","90","","233.99","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce0.4 O3 Sr0.4 Ti -","- Ce0.666667 O4 Sr0.666667 Ti1.33333 -","- Ce2 O12 Sr2 Ti4 -","3","0.375","","Ubic, Rick; Subodh, Ganesanpotti; Gout, Delphine; Sebastian, Mailadil T.; Proffen, Thomas","Correction to Crystal Structure of Sr0.4Ce0.4TiO3Ceramics","Chemistry of Materials","2010","22","6","2174","","10.1021/cm100457f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000874","10.4278","0.0004","10.4278","0.0004","14.2602","0.0012","90","","90","","90","","1550.64","0.16","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","Nd(C6H3(CO2)3)(H2O)","","","- C9 H3 Nd O7 -","- C9 H3 Nd O7 -","- C36 H12 Nd4 O28 -","4","1","","Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong","A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity","Chemistry of Materials","2010","22","11","3316","","10.1021/cm100503q","","","0.71073","MoKα","","0.0314","0.0282","","","0.0564","0.0572","","","","","","0.956","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000875","10.452","0.0002","10.452","0.0002","13.8486","0.0009","90","","90","","90","","1512.88","0.11","453","2","453","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","Nd(C6H3(CO2)3)","","","- C9 H3 Nd O6 -","- C9 H3 Nd O6 -","- C36 H12 Nd4 O24 -","4","0.5","","Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong","A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity","Chemistry of Materials","2010","22","11","3316","","10.1021/cm100503q","","","0.71073","MoKα","","0.075","0.036","","","0.0535","0.0567","","","","","","0.972","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000876","10.241","0.0003","10.241","0.0003","14.4026","0.0005","90","","90","","90","","1510.52","0.08","100","2","100","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","Yb(C6H3(CO2)3)H2O","","","- C9 H3 O7 Yb -","- C9 H3 O7 Yb -","- C36 H12 O28 Yb4 -","4","0.5","","Gustafsson, Mikaela; Bartoszewicz, Agnieszka; Martín-Matute, Belén; Sun, Junliang; Grins, Jekabs; Zhao, Tony; Li, Zhongyue; Zhu, Guangshan; Zou, Xiaodong","A Family of Highly Stable Lanthanide Metal−Organic Frameworks: Structural Evolution and Catalytic Activity","Chemistry of Materials","2010","22","11","3316","","10.1021/cm100503q","","","0.907","synchrotron","","0.0296","0.0292","","","0.0793","0.0795","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000877","23.515","0.019","4.611","0.004","21.347","0.018","90","","90.744","0.009","90","","2314","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 O4 S4 -","- C50 H76 O4 S4 -","- C100 H152 O8 S8 -","2","0.5","","McEntee, Greg J.; Skabara, Peter J.; Vilela, Filipe; Tierney, Steven; Samuel, Ifor D. W.; Gambino, Salvatore; Coles, Simon J.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","Synthesis and Electropolymerization of Hexadecyl Functionalized Bithiophene and Thieno[3,2-b]thiophene End-Capped with EDOT and EDTT Units","Chemistry of Materials","2010","22","9","3000","","10.1021/cm100514r","","","0.6941","synchrotron","","0.2312","0.1245","","","0.3058","0.37","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000878","7.1255","0.0001","11.4922","0.0002","16.5104","0.0003","71.958","0.001","83.543","0.001","82.168","0.001","1269.98","0.04","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H76 S8 -","- C50 H76 S8 -","- C50 H76 S8 -","1","0.5","","McEntee, Greg J.; Skabara, Peter J.; Vilela, Filipe; Tierney, Steven; Samuel, Ifor D. W.; Gambino, Salvatore; Coles, Simon J.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","Synthesis and Electropolymerization of Hexadecyl Functionalized Bithiophene and Thieno[3,2-b]thiophene End-Capped with EDOT and EDTT Units","Chemistry of Materials","2010","22","9","3000","","10.1021/cm100514r","","","0.71073","MoKα","","0.0542","0.0431","","","0.0868","0.0932","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000879","7.09109","0.00005","7.09109","","11.50958","0.0001","90","","90","","120","","501.206","0.006","300","","300","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- H4 I Li3 N2 -","- H4.0005 I Li3 N2 -","- H16.002 I4 Li12 N8 -","4","0.333333","","Matsuo, Motoaki; Sato, Toyoto; Miura, Yohei; Oguchi, Hiroyuki; Zhou, Yu; Maekawa, Hideki; Takamura, Hitoshi; Orimo, Shin-ichi","Synthesis and Lithium Fast-Ion Conductivity of a New Complex Hydride Li3(NH2)2I with Double-Layered Structure","Chemistry of Materials","2010","22","9","2702","","10.1021/cm1006857","powder diffraction","","0.800562","Synchrotron","","","","","","","","","","2.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000880","18.641","0.0002","19.8492","0.0003","21.2347","0.0004","108.682","0.001","108.736","0.001","95.74","0.001","6866","0.2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C123 H96 B F4 N9 O4 Pt3 S13 -","- C123 H96 B F4 N9 O4 Pt3 S13 -","- C246 H192 B2 F8 N18 O8 Pt6 S26 -","2","1","","Milum, Kristen M.; Kim, Young Nam; Holliday, Bradley J.","Pt-[NCN] Pincer Conducting Metallopolymers That Display Redox-Attenuated Metal−Ligand Interactions","Chemistry of Materials","2010","22","8","2414","","10.1021/cm100762s","","","0.71069","MoKα","","0.1269","0.0613","","","0.1505","0.1717","","","","","","0.955","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000881","15.1009","0.0004","29.7497","0.0007","22.8254","0.0005","90","","106.558","0.001","90","","9829","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 N3 Pt S4 -","- C45 H32 N3 Pt S4 -","- C360 H256 N24 Pt8 S32 -","8","2","","Milum, Kristen M.; Kim, Young Nam; Holliday, Bradley J.","Pt-[NCN] Pincer Conducting Metallopolymers That Display Redox-Attenuated Metal−Ligand Interactions","Chemistry of Materials","2010","22","8","2414","","10.1021/cm100762s","","","0.71073","MoKα","","0.0843","0.044","","","0.1132","0.1229","","","","","","0.984","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000882","17.8638","0.0012","7.548","0.0007","9.7506","0.0007","90","","90","","90","","1314.73","0.18","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Co3 H6 K2 O16 S3 -","- Co3 H6 K2 O16 S3 -","- Co12 H24 K8 O64 S12 -","4","0.5","","Vilminot, Serge; Baker, Peter J.; Blundell, Stephen J.; Sugano, Tadashi; André, Gilles; Kurmoo, Mohamedally","Giant Magnetic Hardness in the Synthetic Mineral Ferrimagnet K2CoII3(OH)2(SO4)3(H2O)2","Chemistry of Materials","2010","22","13","4090","","10.1021/cm1009515","","","0.71073","MoKα","","0.0315","0.0283","","","0.0559","0.059","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000883","6.66027","0.000079","6.66027","0.000079","10.82919","0.00012","90","","90","","90","","480.374","0.01","293","","293","","","","","","","","","7","I 4/m c m","-I 4 2c","140","","Strontium Calcium Aluminum Silicon Oxygen Fluoride","","- Al0.6 Ca1.2 Ce0.0225 F0.5775 O4.4225 Si0.4 Sr1.7775 -","- Al0.6 Ca1.2 Ce0.0225 F0.5775 O4.4225 Si0.4 Sr1.7775 -","- Al2.4 Ca4.8 Ce0.09 F2.31 O17.69 Si1.6 Sr7.11 -","4","0.125","","Setlur, Anant A.; Radkov, Emil V.; Henderson, Claire S.; Her, Jae-Hyuk; Srivastava, Alok M.; Karkada, Nagaveni; Kishore, M. Satya; Kumar, N. Prasanth; Aesram, Danny; Deshpande, Anirudha; Kolodin, Boris; Grigorov, Ljudmil S.; Happek, Uwe","Energy-Efficient, High-Color-Rendering LED Lamps Using Oxyfluoride and Fluoride Phosphors","Chemistry of Materials","2010","22","13","4076","","10.1021/cm100960g","powder diffraction","","0.77442","synchrotron","","","","","","","","","0.04","2.87","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000884","10.4094","0.0016","5.8636","0.0009","18.465","0.003","90","","99.965","0.003","90","","1110","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 N4 S3 -","- C7 H12 N4 S3 -","- C28 H48 N16 S12 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.0835","0.0751","","","0.1779","0.1826","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000885","13.978","0.002","9.226","0.0015","18.155","0.003","90","","90","","90","","2341.3","0.6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H24 Cl4 Co N6 S4 -","- C12 H24 Cl4 Co N6 S4 -","- C48 H96 Cl16 Co4 N24 S16 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.0421","0.0354","","","0.0635","0.0655","","","","","","1.022","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000886","14.872","0.002","13.832","0.002","13.4507","0.0019","90","","90","","90","","2766.9","0.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H36 Co N9 S6 -","- C18 H36 Co N9 S6 -","- C72 H144 Co4 N36 S24 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.089","0.0432","","","0.068","0.0754","","","","","","0.676","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000887","9.5808","0.0008","42.691","0.004","9.6376","0.0008","90","","97.435","0.002","90","","3908.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H60 Co N9 S6 -","- C30 H60 Co N9 S6 -","- C120 H240 Co4 N36 S24 -","4","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.1117","0.0599","","","0.0789","0.0918","","","","","","0.891","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000888","14.435","0.005","18.35","0.006","25.972","0.008","90","","91.433","0.006","90","","6877","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H56 Co N6 O2 S2 -","- C28 H56 Co N6 O2 S2 -","- C224 H448 Co8 N48 O16 S16 -","8","1","","Ramasamy, Karthik; Malik, Mohammad A.; Raftery, James; Tuna, Floriana; O’Brien, Paul","Selective Deposition of Cobalt Sulfide Nanostructured Thin Films from Single-Source Precursors","Chemistry of Materials","2010","22","17","4919","","10.1021/cm1010345","","","0.71073","MoKα","","0.1424","0.1052","","","0.2104","0.2261","","","","","","1.206","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000889","14.0445","0.0008","14.0445","0.0008","23.235","0.003","90","","90","","120","","3969","0.6","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15.43 H25.71 Cl0.57 Co2 N1.71 O10.86 -","- C15.4286 H25.7143 Cl0.571429 Co2 N1.71429 O10.8571 -","- C108 H180 Cl4 Co14 N12 O76 -","7","0.583333","","Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally","Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties","Chemistry of Materials","2010","22","14","4295","","10.1021/cm1011229","","","0.71073","MoKα","","0.068","0.0538","","","0.1479","0.1603","","","","","","1.062","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000890","14.2295","0.0001","14.2295","0.0001","23.5443","0.0003","90","","90","","120","","4128.53","0.07","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C60 H78 Cl2 Co7 N6 O26 -","- C60 H78 Cl2 Co7 N6 O26 -","- C120 H156 Cl4 Co14 N12 O52 -","2","0.166667","","Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally","Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties","Chemistry of Materials","2010","22","14","4295","","10.1021/cm1011229","","","0.71073","MoKα","","0.0845","0.0709","","","0.1869","0.2074","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000891","14.1074","0.0008","14.1074","0.0008","23.882","0.003","90","","90","","120","","4116.2","0.6","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C54 H60 Cl2 Co7 N24 O20 -","- C54 H60 Cl2 Co7 N24 O20 -","- C108 H120 Cl4 Co14 N48 O40 -","2","0.166667","","Zhou, Yan-Ling; Zeng, Ming-Hua; Wei, Lian-Qiang; Li, Bin-Wen; Kurmoo, Mohamedally","Traditional and Microwave-Assisted Solvothermal Synthesis and Surface Modification of Co7Brucite Disk Clusters and Their Magnetic Properties","Chemistry of Materials","2010","22","14","4295","","10.1021/cm1011229","","","0.71073","MoKα","","0.0911","0.0771","","","0.2361","0.2556","","","","","","1.109","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000892","12.057","0.004","3.7374","0.0013","11.694","0.003","90","","90","","90","","527","0.3","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","CaCr0.84Fe3.16As3","","","- As3 Ca Cr0.84 Fe3.16 -","- As3 Ca Cr0.836 Fe3.164 -","- As12 Ca4 Cr3.344 Fe12.656 -","4","0.5","","Todorov, Iliya; Chung, Duck Young; Claus, Helmut; Gray, Kenneth E.; Li, Qing’an; Schleuter, John; Bakas, Thomas; Douvalis, Alexios P.; Gutmann, Matthias; Kanatzidis, Mercouri G.","Selective Substitution of Cr in CaFe4As3and Its Effect on the Spin Density Wave","Chemistry of Materials","2010","22","17","4996","","10.1021/cm1012679","","neutron","","neutron","","0.0747","0.0747","","","0.1825","0.1825","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000893","12.022","0.004","3.7211","0.0015","11.652","0.003","90","","90","","90","","521.3","0.3","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","CaCr0.84Fe3.16As3","","","- As3 Ca Cr0.84 Fe3.16 -","- As3 Ca Cr0.844 Fe3.156 -","- As12 Ca4 Cr3.376 Fe12.624 -","4","0.5","","Todorov, Iliya; Chung, Duck Young; Claus, Helmut; Gray, Kenneth E.; Li, Qing’an; Schleuter, John; Bakas, Thomas; Douvalis, Alexios P.; Gutmann, Matthias; Kanatzidis, Mercouri G.","Selective Substitution of Cr in CaFe4As3and Its Effect on the Spin Density Wave","Chemistry of Materials","2010","22","17","4996","","10.1021/cm1012679","","neutron","","neutron","","0.0803","0.0803","","","0.1974","0.1974","","","","","","1.076","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000894","10.4063","0.0006","6.2187","0.0003","4.9469","0.0003","90","","90","","90","","320.13","0.03","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","sodium iron phosphate","","- Fe Na O4 P -","- Fe Na1.003 O4 P -","- Fe4 Na4.012 O16 P4 -","4","0.5","","Moreau, P.; Guyomard, D.; Gaubicher, J.; Boucher, F.","Structure and Stability of Sodium Intercalated Phases in Olivine FePO4","Chemistry of Materials","2010","22","14","4126","","10.1021/cm101377h","powder diffraction","","1.5418","CuKα","","0.0163","0.0163","","","0.0183","0.0183","","0.0258","1.18","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000895","10.2886","0.0007","6.0822","0.0004","4.9372","0.0004","90","","90","","90","","308.96","0.04","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","sodium iron phosphate","","- Fe Na0.71 O4 P -","- Fe Na0.71 O4 P -","- Fe4 Na2.84 O16 P4 -","4","0.5","","Moreau, P.; Guyomard, D.; Gaubicher, J.; Boucher, F.","Structure and Stability of Sodium Intercalated Phases in Olivine FePO4","Chemistry of Materials","2010","22","14","4126","","10.1021/cm101377h","powder diffraction","","1.5418","CuKα","","0.0145","0.0145","","","0.0175","0.0175","","0.026","1.37","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000896","11.616","0.003","12.503","0.003","14.891","0.004","90","","90","","90","","2162.7","1","223.1","","223.1","","","","","","","","","4","P c c m","-P 2 2c","49","","","","- C40 H22 Mn N10 -","- C40 H22 Mn N10 -","- C80 H44 Mn2 N20 -","2","0.25","","Shimomura, Satoru; Matsuda, Ryotaro; Kitagawa, Susumu","Flexibility of Porous Coordination Polymers Strongly Linked to Selective Sorption Mechanism","Chemistry of Materials","2010","22","14","4129","","10.1021/cm101410h","","","0.7107","MoKα","","","0.0841","","","","0.0945","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000897","7.4043","0.00031","7.21277","0.00026","7.28756","0.00031","90","","118.346","0.0017","90","","342.53","0.02","300","","300","","","","","","","","","3","C 1 c 1","C -2yc","9","beta_MoOPO4","","","- Mo O5 P -","- Mo O5 P -","- Mo4 O20 P4 -","4","1","","Lister, Sarah E.; Rixom, Victoria J.; Evans, John S. O.","Structural and Mechanistic Studies of the Dehydration of MoO2PO3OH·H2O and the In situ Identification of Two New Molybdenum Phosphates","Chemistry of Materials","2010","22","18","5279","","10.1021/cm101429u","","","1.5406","CuKα","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000898","16.2213","0.0011","3.89355","0.00027","6.27724","0.00043","90","","90","","90","","396.46","0.05","300","","300","","","","","","","","","3","C 2 2 21","C 2c 2","20","delta-(MoO2)2P2O7","","","- Mo2 O11 P2 -","- Mo2 O11 P2 -","- Mo4 O22 P4 -","2","0.25","","Lister, Sarah E.; Rixom, Victoria J.; Evans, John S. O.","Structural and Mechanistic Studies of the Dehydration of MoO2PO3OH·H2O and the In situ Identification of Two New Molybdenum Phosphates","Chemistry of Materials","2010","22","18","5279","","10.1021/cm101429u","","","0.35285","synchrotron","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000899","17.3171","0.0038","3.73005","0.00078","6.4173","0.0012","90","","90","","90","","414.52","0.15","300","","300","","","","","","","","","4","C 2 2 21","C 2c 2","20","Li2Mo2P2O11","","","- Li2 Mo2 O11 P2 -","- Li2 Mo2 O11 P2 -","- Li4 Mo4 O22 P4 -","2","0.25","","Lister, Sarah E.; Rixom, Victoria J.; Evans, John S. O.","Structural and Mechanistic Studies of the Dehydration of MoO2PO3OH·H2O and the In situ Identification of Two New Molybdenum Phosphates","Chemistry of Materials","2010","22","18","5279","","10.1021/cm101429u","","","1.5418","CuKα","","6.503","","","","","","","","1.281","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000900","11.105","0.002","9.934","0.002","16.338","0.003","90","","96.17","0.003","90","","1791.9","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Cu N2 O2 -","- C16 H28 Cu N2 O2 -","- C64 H112 Cu4 N8 O8 -","4","0.5","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Clendenning, Scott B.; Blackwell, James M.; Britten, James F.; Rheingold, Arnold","Investigation of AlMe3, BEt3, and ZnEt2as Co-Reagents for Low-Temperature Copper Metal ALD/Pulsed-CVD","Chemistry of Materials","2010","22","17","4844","","10.1021/cm101442e","","","0.71073","MoKα","","0.0418","0.0331","","","0.0804","0.0849","","","","","","1.045","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000901","11.924","0.003","5.2521","0.0013","14.989","0.004","90","","90","","90","","938.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Cu N2 O2 -","- C10 H8 Cu N2 O2 -","- C40 H32 Cu4 N8 O8 -","4","0.5","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Clendenning, Scott B.; Blackwell, James M.; Britten, James F.; Rheingold, Arnold","Investigation of AlMe3, BEt3, and ZnEt2as Co-Reagents for Low-Temperature Copper Metal ALD/Pulsed-CVD","Chemistry of Materials","2010","22","17","4844","","10.1021/cm101442e","","","0.71073","MoKα","","0.0442","0.0403","","","0.0922","0.0944","","","","","","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000902","9.7348","0.0009","9.0159","0.0009","23.491","0.002","90","","101.282","0.002","90","","2021.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H26 Cu2 N4 -","- C19.5 H26 Cu2 N4 -","- C78 H104 Cu8 N16 -","4","1","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Blackwell, James M.; Clendenning, Scott B.; Britten, James F.","Solution Reactions of a Bis(pyrrolylaldiminate)copper(II) Complex with Peralkyl Zinc, Aluminum, and Boron Reagents: Investigation of the Pathways Responsible for Copper Metal Deposition","Chemistry of Materials","2010","22","17","4854","","10.1021/cm101443x","","","0.71073","MoKα","","0.036","0.0295","","","0.0753","0.0794","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4000903","23.1805","0.0003","9.2975","0.0001","16.7106","0.0002","90","","100.235","0.001","90","","3544.17","0.07","96","2","96","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Al N4 -","- C17 H25 Al N4 -","- C136 H200 Al8 N32 -","8","2","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Blackwell, James M.; Clendenning, Scott B.; Britten, James F.","Solution Reactions of a Bis(pyrrolylaldiminate)copper(II) Complex with Peralkyl Zinc, Aluminum, and Boron Reagents: Investigation of the Pathways Responsible for Copper Metal Deposition","Chemistry of Materials","2010","22","17","4854","","10.1021/cm101443x","","","1.54178","CuKα","","0.0573","0.0505","","","0.1403","0.1464","","","","","","1.048","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000904","12.9816","0.0014","8.3146","0.0009","10.8375","0.0011","90","","108.644","0.002","90","","1108.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 Zn -","- C10 H16 N2 Zn -","- C40 H64 N8 Zn4 -","4","1","","Vidjayacoumar, Balamurugan; Emslie, David J. H.; Blackwell, James M.; Clendenning, Scott B.; Britten, James F.","Solution Reactions of a Bis(pyrrolylaldiminate)copper(II) Complex with Peralkyl Zinc, Aluminum, and Boron Reagents: Investigation of the Pathways Responsible for Copper Metal Deposition","Chemistry of Materials","2010","22","17","4854","","10.1021/cm101443x","","","0.71073","MoKα","","0.0539","0.0317","","","0.0747","0.0846","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000905","21.559","0.003","21.559","0.003","16.642","0.005","90","","90","","120","","6699","2","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85 H36 Cl Co6 N13 O28 -","- C84.96 H36 Cl Co6 N13 O28.02 -","- C254.88 H108 Cl3 Co18 N39 O84.06 -","3","0.166667","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.1297","0.0719","","","0.2257","0.2636","","","","","","1.178","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000906","21.53","0.0016","21.53","","16.5418","0.0013","90","","90","","120","","6640.5","0.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C85 H36 Co6 F N13 O28 -","- C85.02 H36 Co6 F N13 O28.02 -","- C255.06 H108 Co18 F3 N39 O84.06 -","3","0.166667","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.1463","0.084","","","0.2565","0.311","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000907","21.842","0.007","21.842","0.007","14.502","0.009","90","","90","","120","","5992","5","353","2","353","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C84 H36 Cl Co6 N12 O24 -","- C84 H36 Cl Co6 N12 O24 -","- C252 H108 Cl3 Co18 N36 O72 -","3","0.166667","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.2858","0.1217","","","0.241","0.396","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000908","10.68","0.002","11.343","0.003","12.629","0.003","73.756","0.004","77.772","0.003","85.484","0.004","1435.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 Co N7 O9 -","- C29 H27 Co N7 O9 -","- C58 H54 Co2 N14 O18 -","2","1","","Chen, Qing; Zeng, Ming-Hua; Wei, Lian-Qiang; Kurmoo, Mohamedally","A Multifaceted Cage Cluster, [CoII6O12⊃ X]−(X = Cl−or F−): Halide Template Effect and Frustrated Magnetism","Chemistry of Materials","2010","22","14","4328","","10.1021/cm1014459","","","0.71073","MoKα","","0.1253","0.073","","","0.1786","0.2128","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000909","16.305","0.006","3.5304","0.0011","17.788","0.006","90","","116.87","0.04","90","","913.4","0.6","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","","","","- C5 H4 Mn N O6.62 V2 -","- C5 H4 Mn N O6.64 V2 -","- C20 H16 Mn4 N4 O26.56 V8 -","4","0.5","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Vidal, Karmele; Lezama, Luis; Rojo, Teófilo; Arriortua, María I.","Short-Range and Long-Range Magnetic Ordering, in Third Generation Brannerite Type Inorganic−Organic Vanadates: [{Mn(Bpy)}(VO3)2]≈(H2O)1.16and [{Mn(Bpy)0.5}(VO3)2]≈(H2O)0.62","Chemistry of Materials","2010","22","19","5543","","10.1021/cm1015433","","","0.71073","MoKα","","0.0543","0.029","","","0.0509","0.0533","","","","","","0.824","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000910","16.706","0.005","3.5265","0.0004","11.558","0.005","90","","100.77","0.05","90","","668.9","0.4","293","2","293","2","","","","","","","synthesised by authors, see text","6","C 1 2/m 1","-C 2y","12","","","","- C10 H8 Mn N2 O7.2 V2 -","- C10 H8 Mn N2 O7.2 V2 -","- C20 H16 Mn2 N4 O14.4 V4 -","2","0.25","","Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Vidal, Karmele; Lezama, Luis; Rojo, Teófilo; Arriortua, María I.","Short-Range and Long-Range Magnetic Ordering, in Third Generation Brannerite Type Inorganic−Organic Vanadates: [{Mn(Bpy)}(VO3)2]≈(H2O)1.16and [{Mn(Bpy)0.5}(VO3)2]≈(H2O)0.62","Chemistry of Materials","2010","22","19","5543","","10.1021/cm1015433","","","0.71073","MoKα","","0.0921","0.0511","","","0.1175","0.129","","","","","","0.84","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000911","6.986813","0.000009","6.986813","0.000009","12.037947","0.000002","90","","90","","120","","508.91","0.0009","","","300","","","","","","","","","5","P 63 m c","P 6c -2c","186","Cs-Mn-struvite (hexagonal)","struvite","","- Cs2 H12 Mn2 O20 P2 -","- Cs Mn O9.99982 P -","- Cs2 Mn2 O19.9996 P2 -","2","0.166667","","Ferdov, Stanislav; Lin, Zhi","Selective Detection of Cs+in Water Solutions via One-Step Formation of a New Type of Struvite-Like Phosphate","Chemistry of Materials","2010","22","18","5345","","10.1021/cm101657z","powder diffraction","","1.5406","CuKα","","","","","","","","","4.3604","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000912","15.436","0.001","15.436","0.001","28.831","0.002","90","","90","","90","","6869.6","0.8","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C80 H88 Li N8 O8 -","- C80 H88 Li N8 O8 -","- C320 H352 Li4 N32 O32 -","4","0.5","","Pandian, Ramasamy P.; Raju, Nandyala P.; Gallucci, Judith C.; Woodward, Patrick M.; Epstein, Arthur J.; Kuppusamy, Periannan","A New Tetragonal Crystalline Polymorph of Lithium Octa-n-Butoxy-Naphthalocyanine (LiNc-BuO) Radical: Structural, Magnetic and Oxygen-Sensing Properties","Chemistry of Materials","2010","22","23","6254","","10.1021/cm101733h","","","0.7749","synchrotron","","0.1586","0.072","","","0.1896","0.2496","","","","","","0.996","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000913","5.56","0.0011","5.56","0.0011","22.83","0.005","90","","90","","120","","611.2","0.2","300","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- O3 Ru0.821 Sr -","- O3 Ru0.8212 Sr -","- O30 Ru8.212 Sr10 -","10","0.416667","","Yamamoto, Ayako; Hashizume, Daisuke; Katori, Hiroko Aruga; Sasaki, Takahiko; Ohmichi, Eiji; Nishizaki, Terukazu; Kobayashi, Norio; Takagi, Hidenori","Ten Layered Hexagonal Perovskite Sr5Ru5−xO15(x= 0.90), a Weak Ferromagnet with a Giant Coercive FieldHcσim 12 T","Chemistry of Materials","2010","22","20","5712","","10.1021/cm1017954","","","0.71073","MoKα","","0.0551","0.0535","","","0.1139","0.1145","","","","","","1.429","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000914","9.4941","0.0015","11.4556","0.0017","13.758","0.002","89.628","0.003","89.726","0.003","67.548","0.003","1382.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H40 N6 Ni S4 -","- C20 H40 N6 Ni S4 -","- C40 H80 N12 Ni2 S8 -","2","1","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.0651","0.0477","","","0.0991","0.1037","","","","","","1.112","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000915","10.6895","0.0018","18.763","0.003","25.788","0.004","90","","90","","90","","5172.2","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H40 N6 Ni O2 S2 -","- C20 H40 N6 Ni O2 S2 -","- C160 H320 N48 Ni8 O16 S16 -","8","1","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.042","0.0295","","","0.0646","0.0679","","","","","","0.966","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000916","13.888","0.003","6.9629","0.0014","18.451","0.003","90","","90","","90","","1784.2","0.6","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H24 N6 Ni O2 S2 -","- C12 H24 N6 Ni O2 S2 -","- C48 H96 N24 Ni4 O8 S8 -","4","0.5","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.0904","0.0643","","","0.1193","0.1288","","","","","","1.16","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000917","8.1434","0.0016","17.389","0.004","8.304","0.0017","90","","110.001","0.004","90","","1105","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 N6 Ni S4 -","- C16 H32 N6 Ni S4 -","- C32 H64 N12 Ni2 S8 -","2","0.5","","Ramasamy, Karthik; Malik, Mohammad A.; O’Brien, Paul; Raftery, James; Helliwell, Madeleine","Nickel Sulfide Thin Films from Thio- and Dithiobiuret Precursors","Chemistry of Materials","2010","22","23","6328","","10.1021/cm102140t","","","0.71073","MoKα","","0.106","0.0586","","","0.0755","0.0853","","","","","","0.915","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000918","14.3821","0.0005","4.7383","0.0001","18.2103","0.0008","90","","99.526","0.0012","90","","1223.86","0.07","295","2","418","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DADF","DADF","","- C36 H20 N2 O2 -","- C36 H20 N2 O2 -","- C72 H40 N4 O4 -","2","0.5","","Ahmed, Eilaf; Earmme, Taeshik; Ren, Guoqiang; Jenekhe, Samson A.","Novel n-Type Conjugated Ladder Heteroarenes: Synthesis, Self-Assembly of Nanowires, Electron Transport, and Electroluminescence of Bisindenoanthrazolines","Chemistry of Materials","2010","22","20","5786","","10.1021/cm102147n","","","0.71073","MoKα","","0.0799","0.0558","","","0.1449","0.1601","","","","","","1.079","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000919","7.1904","0.0003","27.9435","0.0005","13.7","0.0015","90","","108.429","0.0014","90","","2611.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DADK","DADK","","- C38 H20 N2 O2 -","- C38 H20 N2 O2 -","- C152 H80 N8 O8 -","4","1","","Ahmed, Eilaf; Earmme, Taeshik; Ren, Guoqiang; Jenekhe, Samson A.","Novel n-Type Conjugated Ladder Heteroarenes: Synthesis, Self-Assembly of Nanowires, Electron Transport, and Electroluminescence of Bisindenoanthrazolines","Chemistry of Materials","2010","22","20","5786","","10.1021/cm102147n","","","0.71073","MoKα","","0.13","0.0618","","","0.1355","0.1667","","","","","","0.999","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000920","5.3675","0.0001","11.1072","0.0003","14.7787","0.0003","90","","90","","90","","881.07","0.03","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- Ca2 Co Fe O5 -","- Ca2 Co Fe O5 -","- Ca16 Co8 Fe8 O40 -","8","1","","Ramezanipour, Farshid; Greedan, John E.; Grosvenor, Andrew P.; Britten, James F.; Cranswick, Lachlan M. D.; Garlea, V. Ovidiu","Intralayer Cation Ordering in a Brownmillerite Superstructure: Synthesis, Crystal, and Magnetic Structures of Ca2FeCoO5","Chemistry of Materials","2010","22","21","6008","","10.1021/cm1023025","","","0.71073","MoKα","","0.0668","0.0329","","","0.0767","0.091","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000921","3.8023","0.0006","3.8023","0.0006","24.575","0.004","90","","90","","90","","355.29","0.1","298","2","298","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cu2 Ge3.58 Hf3 Sb1.42 -","- Cu2 Ge3.583 Hf3 Sb1.417 -","- Cu4 Ge7.166 Hf6 Sb2.834 -","2","0.125","","Guch, Mykhailo; Sankar, Cheriyedath Raj; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Antimonide Hf3Cu2Ge3.58Sb1.42","Chemistry of Materials","2010","22","23","6433","","10.1021/cm102632a","","","0.71073","MoKα","","0.0246","0.024","","","0.0563","0.0567","","","","","","1.257","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000922","8.9181","0.0003","8.9181","0.0003","7.9708","0.0006","90","","90","","90","","633.94","0.06","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- H2 O7 Se2 V -","- H O3.5 Se V0.5 -","- H8 O28 Se8 V4 -","8","1","","Kim, Sang-Hwan; Yeon, Jeongho; Sefat, Athena S.; Mandrus, David G.; Halasyamani, P. Shiv","Stereo-Active Lone-Pair Control on the Ferromagnetic Behavior in VO(SeO2OH)2: A New Acentric Ferromagnetic Material","Chemistry of Materials","2010","22","24","6665","","10.1021/cm102659w","","","0.71073","MoKα","","0.0186","0.0125","","","","0.0303","","","","","","0.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000923","4.8938","0.0003","5.6273","0.0003","14.6838","0.0009","93.057","0.001","92.422","0.001","98.455","0.001","398.9","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H4 F8 O2 -","- C22 H4 F8 O2 -","- C22 H4 F8 O2 -","1","0.5","","Liang, Zhixiong; Tang, Qin; Liu, Jing; Li, Jinhua; Yan, Feng; Miao, Qian","N-Type Organic Semiconductors Based on π-Deficient Pentacenequinones: Synthesis, Electronic Structures, Molecular Packing, and Thin Film Transistors","Chemistry of Materials","2010","22","23","6438","","10.1021/cm102681p","","","0.71073","MoKα","","0.0545","0.0381","","","0.112","0.1326","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000924","10.5911","0.0007","16.0352","0.0011","3.8021","0.0002","90","","95.607","0.001","90","","642.62","0.07","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H8 N4 O2 -","- C18 H8 N4 O2 -","- C36 H16 N8 O4 -","2","0.25","","Liang, Zhixiong; Tang, Qin; Liu, Jing; Li, Jinhua; Yan, Feng; Miao, Qian","N-Type Organic Semiconductors Based on π-Deficient Pentacenequinones: Synthesis, Electronic Structures, Molecular Packing, and Thin Film Transistors","Chemistry of Materials","2010","22","23","6438","","10.1021/cm102681p","","","0.71073","MoKα","","0.0457","0.0365","","","0.0989","0.1093","","","","","","1.08","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000925","5.7196","0.0002","5.7196","0.0002","35.805","0.0013","90","","90","","120","","1014.39","0.06","","","293","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba F0.174 Fe O2.65 -","- Ba1.0008 F0.174 Fe O2.6556 -","- Ba15.012 F2.61 Fe15 O39.834 -","15","0.416667","","Sturza, Mihai; Daviero-Minaud, Sylvie; Kabbour, Houria; Gardoll, Olivier; Mentré, Olivier","Fluorination of Iron Hexagonal Perovskites Promoting Low Temperature Oxygen Mobility","Chemistry of Materials","2010","22","24","6726","","10.1021/cm102724k","","","0.71073","MoKα","","0.0287","0.0246","","","0.0234","0.0273","","","","1.25","1.25","1.39","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000926","11.2064","0.0007","14.4508","0.0009","14.4693","0.0009","90","","99.516","0.001","90","","2310.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H44 N7 Ta -","- C17 H44 N7 Ta -","- C68 H176 N28 Ta4 -","4","1","","Chen, Tianniu; Xu, Chongying; Baum, Thomas H.; Stauf, Gregory T.; Roeder, Jeffrey F.; DiPasquale, Antonio G.; Rheingold, Arnold L.","New Tantalum Amido Complexes with Chelate Ligands as Metalorganic (MO) Precursors for Chemical Vapor Deposition (CVD) of Tantalum Nitride Thin Films","Chemistry of Materials","2010","22","1","27","","10.1021/cm9009767","","","0.71073","MoKα","","0.0257","0.024","","","0.0623","0.0633","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000927","17.835","0.002","17.835","0.002","14.457","0.002","90","","90","","90","","4598.6","1","100","2","100","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","","","- C17 H44 N7 Ta -","- C17 H40 N7 Ta -","- C136 H320 N56 Ta8 -","8","0.5","","Chen, Tianniu; Xu, Chongying; Baum, Thomas H.; Stauf, Gregory T.; Roeder, Jeffrey F.; DiPasquale, Antonio G.; Rheingold, Arnold L.","New Tantalum Amido Complexes with Chelate Ligands as Metalorganic (MO) Precursors for Chemical Vapor Deposition (CVD) of Tantalum Nitride Thin Films","Chemistry of Materials","2010","22","1","27","","10.1021/cm9009767","","","0.71073","MoKα","","0.0552","0.0445","","","0.1109","0.1188","","","","","","1.072","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000928","9.29997","0.00006","9.29997","0.00006","9.29997","0.00006","90","","90","","90","","804.349","0.009","296","2","296","2","","","","","","","","3","I m -3","-I 2 2 3","204","Iodine-filled skutterudite","Iodine rhodium antimonide","","- I0.9 Rh4 Sb12 -","- I0.905 Rh4 Sb12 -","- I1.81 Rh8 Sb24 -","2","0.0416667","","Fukuoka, Hiroshi; Yamanaka, Shoji","High-Pressure Synthesis, Structure, and Electrical Property of Iodine-Filled Skutterudite I0.9Rh4Sb12—First Anion-Filled Skutterudite","Chemistry of Materials","2010","22","1","47","","10.1021/cm901594q","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.3955","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000929","22.014","0.0017","12.2313","0.001","4.6081","0.0004","90","","90","","90","","1240.78","0.18","90","2","90","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Mn4.18 Sb9 Yb9 -","- Mn4.18 Sb9 Yb9 -","- Mn8.36 Sb18 Yb18 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.0299","0.0241","","","0.0525","0.0549","","","","","","1.067","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000930","21.668","0.002","12.3168","0.0012","4.5234","0.0004","90","","90","","90","","1207.21","0.19","90","2","90","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Sb9 Yb9 Zn4.18 -","- Sb9 Yb9 Zn4.172 -","- Sb18 Yb18 Zn8.344 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.028","0.0243","","","0.0587","0.0599","","","","","","1.126","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000931","21.874","0.003","12.2929","0.0014","4.5796","0.0005","90","","90","","90","","1231.4","0.3","90","2","120","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Mn2.78 Sb9 Yb9 Zn1.63 -","- Mn2.76 Sb9 Yb9 Zn1.616 -","- Mn5.52 Sb18 Yb18 Zn3.232 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.0385","0.0276","","","0.0565","0.0606","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000932","21.7391","0.0019","12.3474","0.0011","4.5384","0.0004","90","","90","","90","","1218.2","0.19","90","2","120","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Mn0.45 Sb9 Yb9 Zn3.9 -","- Mn0.46 Sb9 Yb9 Zn3.88 -","- Mn0.92 Sb18 Yb18 Zn7.76 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.0395","0.0311","","","0.074","0.0781","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000933","22.265","0.002","12.4098","0.0013","4.707","0.0005","90","","90","","90","","1300.6","0.2","90","2","90","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Mn4 Yb9 -","- Bi9 Mn4 Yb9 -","- Bi18 Mn8 Yb18 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.0278","0.026","","","0.068","0.0687","","","","","","1.098","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000934","22.367","0.005","12.499","0.003","4.706","0.001","90","","90","","90","","1315.6","0.5","90","2","90","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Bi9 Ca9 Mn4 -","- Bi9 Ca9 Mn4 -","- Bi18 Ca18 Mn8 -","2","0.25","","Xia, Sheng-Qing; Bobev, Svilen","New Manganese-Bearing Antimonides and Bismuthides with Complex Structures. Synthesis, Structural Characterization, and Electronic Properties of Yb9Mn4+xPn9(Pn= Sb or Bi)†","Chemistry of Materials","2010","22","3","840","","10.1021/cm901633r","","","0.71073","MoKα","","0.0275","0.0231","","","0.0509","0.052","","","","","","1.078","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000935","9.5351","0.0018","9.4676","0.0016","14.329","0.004","90","","107.82","0.02","90","","1231.5","0.5","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H40 Mg4 O4 -","- C16 H40 Mg4 O4 -","- C32 H80 Mg8 O8 -","2","0.5","","Heitz, Stephan; Aksu, Yilmaz; Merschjann, Christoph; Driess, Matthias","Methylmagnesium Alkoxide Clusters with Mg4O4Cubane- and Mg7O8Biscubane-Like Cores: Organometallic Precursors for Low-Temperature Formation of MgO Nanoparticles with Variable Surface Defects","Chemistry of Materials","2010","22","4","1376","","10.1021/cm9021535","","","0.71073","MoKα","","0.2191","0.0847","","","0.1062","0.1337","","","","","","0.944","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000936","10.2934","0.0006","10.8204","0.0004","11.5065","0.0006","79.617","0.004","68.439","0.005","74.077","0.004","1141.64","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H74 Mg7 O8 -","- C30 H74 Mg7 O8 -","- C30 H74 Mg7 O8 -","1","0.5","","Heitz, Stephan; Aksu, Yilmaz; Merschjann, Christoph; Driess, Matthias","Methylmagnesium Alkoxide Clusters with Mg4O4Cubane- and Mg7O8Biscubane-Like Cores: Organometallic Precursors for Low-Temperature Formation of MgO Nanoparticles with Variable Surface Defects","Chemistry of Materials","2010","22","4","1376","","10.1021/cm9021535","","","0.71073","MoKα","","0.0893","0.0539","","","0.1309","0.1425","","","","","","1.045","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000937","9.768","0.002","5.1552","0.001","14.316","0.003","90","","93.8","0.03","90","","719.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ag6 Fe2 O16 V4 -","- Ag6 Fe2 O16 V4 -","- Ag12 Fe4 O32 V8 -","2","0.25","","Becht, Gregory A.; Vaughey, John T.; Hwu, Shiou-Jyh","Ag3Fe(VO4)2and AgFeV2O7: Synthesis, Structure, and Electrochemical Characteristics of Two New Silver Iron(III) Vanadates†","Chemistry of Materials","2010","22","3","1149","","10.1021/cm9024342","","","0.71073","MoKα","","0.0416","0.0316","","","0.0784","0.0868","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000938","5.6027","0.0011","7.4851","0.0015","7.6437","0.0015","65.07","0.03","89.48","0.03","78.98","0.03","284.4","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag Fe O7 V2 -","- Ag Fe O7 V2 -","- Ag2 Fe2 O14 V4 -","2","1","","Becht, Gregory A.; Vaughey, John T.; Hwu, Shiou-Jyh","Ag3Fe(VO4)2and AgFeV2O7: Synthesis, Structure, and Electrochemical Characteristics of Two New Silver Iron(III) Vanadates†","Chemistry of Materials","2010","22","3","1149","","10.1021/cm9024342","","","0.71073","MoKα","","0.093","0.0885","","","0.281","0.2836","","","","","","1.139","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000939","5.3707","0.0002","11.7032","0.0005","17.9205","0.0007","88.6792","0.0018","84.198","0.002","82.7165","0.0017","1111.51","0.08","110","","110","","","","","","","","","7","P -1","-P 1","2","","[IM101TFSI]1[LiTFSI]1","","- C9 H9 F12 Li N4 O8 S4 -","- C9 H9 F12 Li N4 O8 S4 -","- C18 H18 F24 Li2 N8 O16 S8 -","2","1","","Zhou, Qian; Fitzgerald, Kendall; Boyle, Paul D.; Henderson, Wesley A.","Phase Behavior and Crystalline Phases of Ionic Liquid-Lithium Salt Mixtures with 1-Alkyl-3-methylimidazolium Salts†","Chemistry of Materials","2010","22","3","1203","","10.1021/cm902691v","","","0.71073","MoKα","","0.0411","0.0297","","","0.0766","0.0829","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000940","6.76552","0.00046","22.7353","0.0032","13.4648","0.0014","90","","90","","90","","2071.1","0.4","298","","298","","","","","","","","synthesis","4","I m m a","-I 2b 2","74","","1,4-bis(4-pyrazolato)-benzene nickel(ii)","","- C12 H8 N4 Ni -","- C12 H8 N4 Ni -","- C48 H32 N16 Ni4 -","4","0.25","","Galli, S.; Masciocchi, N.; Colombo, V.; Maspero, A.; Palmisano, G.; López-Garzón, F. J.; Domingo-García, M.; Fernández-Morales, I.; Barea, E.; Navarro, J. A. R.","Adsorption of Harmful Organic Vapors by Flexible Hydrophobic Bis-pyrazolate Based MOFs","Chemistry of Materials","2010","22","5","1664","","10.1021/cm902899t","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000941","13.26573","0.00067","13.26573","0.00067","7.2474","0.0011","90","","90","","90","","1275.4","0.2","298","","298","","","","","","","","synthesis","4","P 42/m m c","-P 4c 2","131","","1,4-bis(4-pyrazolato)-benzene zinc(ii) bis-benzonitrile solvate","","- C26 H18 N6 Zn -","- C26 H18 N6 Zn -","- C52 H36 N12 Zn2 -","2","0.125","","Galli, S.; Masciocchi, N.; Colombo, V.; Maspero, A.; Palmisano, G.; López-Garzón, F. J.; Domingo-García, M.; Fernández-Morales, I.; Barea, E.; Navarro, J. A. R.","Adsorption of Harmful Organic Vapors by Flexible Hydrophobic Bis-pyrazolate Based MOFs","Chemistry of Materials","2010","22","5","1664","","10.1021/cm902899t","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000942","9.1139","0.0013","5.2146","0.0005","9.2164","0.0014","90","","111.298","0.008","90","","408.1","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H2 I2 Na O9 V -","- H2 I2 Na O9 V -","- H4 I4 Na2 O18 V2 -","2","1","","Yang, Bing-Ping; Hu, Chun-Li; Xu, Xiang; Sun, Chuan-Fu; Zhang, Jian-Han; Mao, Jiang-Gao","NaVO2(IO3)2(H2O): A Unique Layered Material Produces A Very Strong SHG Response","Chemistry of Materials","2010","22","4","1545","","10.1021/cm902902j","","","0.71073","MoKα","","0.0296","0.0266","","","0.0545","0.0555","","","","","","1.013","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000943","14.0954","0.0002","13.6059","0.0002","16.2976","0.0002","90","","90","","90","","3125.56","0.07","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H17 N3 O4 -","- C17 H17 N3 O4 -","- C136 H136 N24 O32 -","8","1","","Schreiter, Katja; Hofmann, Katja; Seifert, Andreas; Oehlke, Alexander; Ladewig, Katharina; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan","Novel Periphery-Functionalized Solvatochromic Nitrostilbenes As Precursors for Class II Hybrid Materials","Chemistry of Materials","2010","22","9","2720","","10.1021/cm903048u","","","1.54184","CuKα","","0.0426","0.0355","","","0.1025","0.1056","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000944","6.6544","0.0003","14.0082","0.0005","17.2852","0.0007","90","","98.891","0.004","90","","1591.9","0.11","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O6 -","- C17 H17 N3 O6 -","- C68 H68 N12 O24 -","4","1","","Schreiter, Katja; Hofmann, Katja; Seifert, Andreas; Oehlke, Alexander; Ladewig, Katharina; Rüffer, Tobias; Lang, Heinrich; Spange, Stefan","Novel Periphery-Functionalized Solvatochromic Nitrostilbenes As Precursors for Class II Hybrid Materials","Chemistry of Materials","2010","22","9","2720","","10.1021/cm903048u","","","1.54184","CuKα","","0.1008","0.0821","","","0.2173","0.2268","","","","","","1.001","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000945","7.5411","0.0016","6.6118","0.0014","27.999","0.006","90","","97.065","0.003","90","","1385.4","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H20 Ca2 O14 -","- C30 H20 Ca2 O14 -","- C60 H40 Ca4 O28 -","2","1","","Furman, Joshua D.; Warner, Alina Y.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Tunable, Ligand-Based Emission from Inorganic−Organic Frameworks: A New Approach to Phosphors for Solid State Lighting and Other Applications","Chemistry of Materials","2010","22","7","2255","","10.1021/cm9030733","","","0.7749","synchrotron","","0.0856","0.0818","","","0.2182","0.222","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000946","8.578","0.002","11.836","0.003","15.626","0.004","72.437","0.004","78.722","0.005","85.437","0.004","1483","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Strontium Fluorenonate","","","- C30 H26 O17 Sr2 -","- C30 H26 O17 Sr2 -","- C60 H52 O34 Sr4 -","2","1","","Furman, Joshua D.; Warner, Alina Y.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.","Tunable, Ligand-Based Emission from Inorganic−Organic Frameworks: A New Approach to Phosphors for Solid State Lighting and Other Applications","Chemistry of Materials","2010","22","7","2255","","10.1021/cm9030733","","","0.71073","MoKα","","0.0932","0.0523","","","0.1145","0.1345","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4000947","10.26904","0.00033","10.26904","","8.4729","0.0004","90","","90","","120","","773.79","0.04","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ba6 O13.5 Ta3 -","- Ba6 O13.5 Ta3 -","- Ba12 O27 Ta6 -","2","0.166667","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000948","3.30121","0.0001","3.30121","","3.30121","","90","","90","","90","","35.9765","0.0011","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000949","6.18852","0.00023","6.18852","","16.1277","0.0009","90","","90","","120","","534.91","0.04","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Ba4 O9 Ta2 -","- Ba4 O9 Ta2 -","- Ba8 O18 Ta4 -","2","0.166667","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000950","3.33611","0.0001","3.33611","","3.33611","","90","","90","","90","","37.1297","0.0011","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000951","6.1106","0.0004","16.1109","0.0008","12.2127","0.001","90","","120.332","0.0029","90","","1037.72","0.12","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba4 O9 Ta2 -","- Ba4 O9 Ta2 -","- Ba16 O36 Ta8 -","4","1","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000952","8.1174","0.0017","9.286","0.0019","10.297","0.002","71.589","0.002","75.392","0.002","71.286","0.002","687.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Ag2 N4 O10 S2 -","- C22 H28 Ag2 N4 O10 S2 -","- C22 H28 Ag2 N4 O10 S2 -","1","0.5","","Fei, Honghan; Paw U, Latisha; Rogow, David L.; Bresler, Marc R.; Abdollahian, Yashar A.; Oliver, Scott R. J.","Synthesis, Characterization, and Catalytic Application of a Cationic Metal−Organic Framework: Ag2(4,4′-bipy)2(O3SCH2CH2SO3)","Chemistry of Materials","2010","22","6","2027","","10.1021/cm9032308","","","0.71073","MoKα","","0.0288","0.0262","","","0.0559","0.0569","","","","","","1.87","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000953","7.441","0.002","4.41","0.0014","8.292","0.003","90","","90","","90","","272.1","0.15","100","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","calcium-magnesium silicide","calcium-magnesium silicide","","- Ca Mg Si -","- Ca Mg Si -","- Ca4 Mg4 Si4 -","4","0.5","","Whalen, Jeffrey B.; Zaikina, Julia V.; Achey, Randall; Stillwell, Ryan; Zhou, Haidong; Wiebe, Christopher R.; Latturner, Susan E.","Metal to Semimetal Transition in CaMgSi Crystals Grown from Mg−Al Flux","Chemistry of Materials","2010","22","5","1846","","10.1021/cm9033275","","","0.71073","MoKα","","0.0153","0.0147","","","0.04","0.0401","","","","","","1.168","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000954","7.4752","0.0002","4.4272","0.0001","8.3149","0.0002","90","","90","","90","","275.175","0.012","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","calcium-magnesium silicide","calcium-magnesium silicide","","- Ca Mg Si -","- Ca Mg Si -","- Ca4 Mg4 Si4 -","4","0.5","","Whalen, Jeffrey B.; Zaikina, Julia V.; Achey, Randall; Stillwell, Ryan; Zhou, Haidong; Wiebe, Christopher R.; Latturner, Susan E.","Metal to Semimetal Transition in CaMgSi Crystals Grown from Mg−Al Flux","Chemistry of Materials","2010","22","5","1846","","10.1021/cm9033275","","","0.71073","MoKα","","0.0272","0.021","","","0.046","0.048","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000955","14.1061","0.0013","15.1571","0.0014","15.5414","0.0015","97.079","0.001","96.718","0.001","90.344","0.001","3274.2","0.5","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C62 H76 N2 P4 Pt2 S7 -","- C62 H76 N2 P4 Pt2 S7 -","- C124 H152 N4 P8 Pt4 S14 -","2","2","","Zhao, Xiaoyong; Piliego, Claudia; Kim, BongSoo; Poulsen, Daniel A.; Ma, Biwu; Unruh, David A.; Fréchet, Jean M. J.","Solution-Processable Crystalline Platinum-Acetylide Oligomers with Broadband Absorption for Photovoltaic Cells","Chemistry of Materials","2010","22","7","2325","","10.1021/cm903329a","","","0.71073","MoKα","","0.0417","0.0323","","","0.0778","0.0828","","","","","","1.073","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000956","9.0264","0.0008","9.906","0.0004","16.8195","0.001","90","","90","","90","","1503.92","0.17","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Schwartz, Erik; Lim, Eunhee; Gowda, Chandrakala M.; Liscio, Andrea; Fenwick, Oliver; Tu, Guoli; Palermo, Vincenzo; de Gelder, Rene; Cornelissen, Jeroen J. L. M.; Van Eck, Ernst R. H.; Kentgens, Arno P. M.; Cacialli, Franco; Nolte, Roeland J. M.; Samorì, Paolo; Huck, Wilhelm T. S.; Rowan, Alan E.","Synthesis, Characterization, and Surface Initiated Polymerization of Carbazole Functionalized Isocyanides","Chemistry of Materials","2010","22","8","2597","","10.1021/cm903664g","","","0.71073","MoKα","","0.0885","0.0586","","0.0885","0.0828","0.0885","","","1.165","","","1.165","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000957","6.4334","0.0014","6.4334","0.0014","35.586","0.008","90","","90","","120","","1275.5","0.5","293","2","293","2","","","","","","","","4","P 32","P 32","145","Sodium uranoborate","","","- B10 Na O24 U2 -","- B10 Na O24 U2 -","- B30 Na3 O72 U6 -","3","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0402","0.0364","","","0.066","0.0669","","","","","","0.948","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000958","11.1473","0.0011","6.4441","0.0006","23.756","0.002","90","","90.87","0.001","90","","1706.3","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Sodium Uranyl borate","","","- B10 Na O24 U2 -","- B10 Na O24 U2 -","- B40 Na4 O96 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0429","0.0348","","","0.0636","0.0663","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000959","6.441","0.0004","6.441","0.0004","41.836","0.002","90","","90","","120","","1503.1","0.15","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Sodium uranoborate","","","- B10 Na O27 U2 -","- B10 Na O27 U2 -","- B30 Na3 O81 U6 -","3","0.5","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0411","0.0408","","","0.1023","0.1024","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000960","6.3905","0.0009","11.139","0.0015","15.988","0.002","90","","92.777","0.002","90","","1136.7","0.3","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sodium Unranyl Borate Dihydrate","","","- B6 H Na O15 U -","- B6 H Na O15 U -","- B24 H4 Na4 O60 U4 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0442","0.0416","","","0.1025","0.1041","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000961","11.1689","0.001","6.4541","0.0006","28.216","0.002","90","","99.146","0.001","90","","2008.1","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thallium uranyl borate","","","- B11 O24 Tl2 U2 -","- B11 O24 Tl2 U2 -","- B44 O96 Tl8 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0284","0.0269","","","0.0615","0.0621","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000962","6.4506","0.0008","11.21","0.0014","27.531","0.004","90","","94.387","0.001","90","","1985","0.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thallium uranyl borate","","","- B11 O25 Tl2 U2 -","- B11 O25 Tl2 U2 -","- B44 O100 Tl8 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0338","0.0302","","","0.0548","0.0561","","","","","","0.962","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000963","6.4488","0.0003","7.1595","0.0003","11.0929","0.0005","94.83","","90.01","","97.13","","506.37","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","Thallium uranyl borate","","","- B11 O25 Tl2 U2 -","- B11 O25 Tl2 U2 -","- B11 O25 Tl2 U2 -","1","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0208","0.0204","","","0.0482","0.0484","","","","","","0.769","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000964","11.1568","0.0015","6.4424","0.0009","25.328","0.004","90","","95.919","0.001","90","","1810.8","0.5","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thallium uranyl borate","","","- B10 O23 Tl U2 -","- B10 O23 Tl0.99 U2 -","- B40 O92 Tl3.96 U8 -","4","1","","Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials","Chemistry of Materials","2010","22","6","2155","","10.1021/cm9037796","","","0.71073","MoKα","","0.0348","0.0325","","","0.0743","0.0755","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000968","7.8416","0.0004","4.8947","0.0002","29.7907","0.0012","90","","97.227","0.003","90","","1134.35","0.09","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 F2 N2 O4 -","- C30 H20 F2 N2 O4 -","- C60 H40 F4 N4 O8 -","2","0.5","","Jung, Byung Jun; Sun, Jia; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.","Low-Temperature-Processible, Transparent, and Air-Operable n-Channel Fluorinated Phenylethylated Naphthalenetetracarboxylic Diimide Semiconductors Applied to Flexible Transistors","Chemistry of Materials","2009","21","1","94","","10.1021/cm802281k","","","0.71073","MoKα","","0.0787","0.0594","","","0.1363","0.1442","","","","","","1.164","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000969","6.622","0.0001","22.2242","0.0004","7.8567","0.0002","90","","92.006","0.002","90","","1155.55","0.04","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F4 N2 O4 -","- C30 H18 F4 N2 O4 -","- C60 H36 F8 N4 O8 -","2","0.5","","Jung, Byung Jun; Sun, Jia; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.","Low-Temperature-Processible, Transparent, and Air-Operable n-Channel Fluorinated Phenylethylated Naphthalenetetracarboxylic Diimide Semiconductors Applied to Flexible Transistors","Chemistry of Materials","2009","21","1","94","","10.1021/cm802281k","","","0.71073","MoKα","","0.0559","0.0395","","","0.1053","0.1156","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000970","12.1718","0.0004","12.1718","0.0004","28.197","0.002","90","","90","","120","","3617.8","0.3","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu14.35 Se8.55 Te2.45 -","- Ba3 Cu14.354 Se6.93 Te2.38 -","- Ba18 Cu86.124 Se41.58 Te14.28 -","6","0.166667","","Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11","Chemistry of Materials","2009","21","1","88","","10.1021/cm802304k","","","0.71073","MoKα","","0.0642","0.063","","","0.1254","0.1259","","","","","","1.177","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000971","12.1897","0.0003","12.1897","0.0003","28.2087","0.0017","90","","90","","120","","3629.9","0.3","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu14.38 Se8.3 Te2.7 -","- Ba3 Cu14.37 Se8.299 Te2.701 -","- Ba18 Cu86.22 Se49.794 Te16.206 -","6","0.166667","","Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11","Chemistry of Materials","2009","21","1","88","","10.1021/cm802304k","","","0.71073","MoKα","","0.0513","0.0457","","","0.0909","0.0939","","","","","","1.299","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000972","12.2339","0.0003","12.2339","0.0003","28.2819","0.0016","90","","90","","120","","3665.8","0.2","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu15.05 Se7.73 Te3.27 -","- Ba3 Cu15.025 Se7.749 Te3.251 -","- Ba18 Cu90.15 Se46.494 Te19.506 -","6","0.166667","","Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11","Chemistry of Materials","2009","21","1","88","","10.1021/cm802304k","","","0.71073","MoKα","","0.0416","0.0383","","","0.087","0.0892","","","","","","0.918","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000973","4.7241","0.0002","4.7241","0.0002","4.3862","0.0002","90","","90","","120","","84.773","0.006","293","2","293","2","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe3 N1.08 -","- Fe3 N1.082 -","- Fe6 N2.164 -","2","0.333333","","Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich","High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x","Chemistry of Materials","2009","21","2","392","","10.1021/cm802721k","","","0.56083","AgKα","","0.0339","0.0189","","","0.0453","0.0556","","","","","","1.129","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000974","4.7241","0.0002","4.7241","0.0002","4.3862","0.0002","90","","90","","120","","84.773","0.006","293","2","293","2","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.2 -","- Fe3 N1.198 -","- Fe6 N2.396 -","2","0.166667","","Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich","High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x","Chemistry of Materials","2009","21","2","392","","10.1021/cm802721k","","","0.56083","AgKα","","0.0252","0.0157","","","0.0337","0.0377","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000975","11.6147","0.0002","11.6147","0.0002","51.9135","0.0015","90","","90","","120","","6064.9","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C11 H44 In6 N11 Te9 -","- C10 H38 In6 N10 Te9 -","- C60 H228 In36 N60 Te54 -","6","1","","Zhang, Qichun; Chung, In; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","A Polar and Chiral Indium Telluride Featuring Supertetrahedral T2 Clusters and Nonlinear Optical Second Harmonic Generation","Chemistry of Materials","2009","21","1","12","","10.1021/cm8027516","","","0.71073","MoKα","","0.0864","0.0772","","","0.1645","0.1735","","","","","","1.169","","","","has coordinates","288253","2023-12-12","14:36:06",""
"4000976","17.6591","0.0017","17.6477","0.0017","42.628","0.004","90","","90","","90","","13285","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H62 Ag B F4 S4 Si -","- C78 H62 Ag B F4 S4 Si -","- C624 H496 Ag8 B8 F32 S32 Si8 -","8","1","","Huang, Guo; Yang, Chen; Xu, Zhengtao; Wu, Haohan; Li, Jing; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Shape-Selective Sorption and Fluorescence Sensing of Aromatics in a Flexible Network of Tetrakis[(4-methylthiophenyl)ethynyl]silane and AgBF4","Chemistry of Materials","2009","21","3","541","","10.1021/cm8027687","","","0.71073","MoKα","","0.1044","0.0725","","","0.1913","0.2222","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000977","15.92","0.002","18.508","0.003","6.9299","0.0009","90","","90","","90","","2041.9","0.5","298","","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","3, 9-diphenyl-6, 12-dioxaanthanthrene","","","- C32 H18 O2 -","- C32 H18 O2 -","- C128 H72 O8 -","4","0.5","","Kobayashi, Norihito; Sasaki, Mari; Nomoto, Kazumasa","Stableperi-Xanthenoxanthene Thin-Film Transistors with Efficient Carrier Injection","Chemistry of Materials","2009","21","3","552","","10.1021/cm802826m","","","0.71073","MoKα","","0.1448","0.0505","","","0.108","0.1431","","","","","","0.974","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000978","8.952","0.003","9.036","0.003","11.98","0.01","110.44","0.05","108.64","0.04","97.06","0.03","829.9","0.9","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 F12 Mg O12 -","- C22 H34 F12 Mg O12 -","- C22 H34 F12 Mg O12 -","1","0.5","","Fragalà, Maria E.; Toro, Roberta G.; Rossi, Patrizia; Dapporto, Paolo; Malandrino, Graziella","Synthesis, Characterization, and Mass Transport Properties of a Self-Generating Single-Source Magnesium Precursor for MOCVD of MgF2Films","Chemistry of Materials","2009","21","10","2062","","10.1021/cm802923w","","","0.71069","MoKα","","0.08","0.0773","","","0.2212","0.2338","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000979","12.5401","0.0006","35.6519","0.0019","7.0347","0.0004","90","","90","","90","","3145.1","0.3","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C14 H24 O22 S2 Yb4 -","- C14 H24 O22 S2 Yb4 -","- C56 H96 O88 S8 Yb16 -","4","0.25","","Gándara, Felipe; Puebla, Enrique Gutiérrez; Iglesias, Marta; Proserpio, Davide M.; Snejko, Natalia; Monge, M. Ángeles","Controlling the Structure of Arenedisulfonates toward Catalytically Active Materials","Chemistry of Materials","2009","21","4","655","","10.1021/cm8029517","","","0.71073","MoKα","","0.0947","0.0719","","","0.1883","0.2007","","","","","","1.024","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000980","7.3843","0.0008","7.8665","0.0008","13.7366","0.0015","86.119","0.002","86.097","0.002","86.398","0.002","792.9","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 O10 S2 Yb -","- C14 H9 O10 S2 Yb -","- C28 H18 O20 S4 Yb2 -","2","1","","Gándara, Felipe; Puebla, Enrique Gutiérrez; Iglesias, Marta; Proserpio, Davide M.; Snejko, Natalia; Monge, M. Ángeles","Controlling the Structure of Arenedisulfonates toward Catalytically Active Materials","Chemistry of Materials","2009","21","4","655","","10.1021/cm8029517","","","0.71073","MoKα","","0.0678","0.056","","","0.1291","0.1347","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000981","56.717","0.006","4.1874","0.0005","11.1892","0.0011","90","","94.912","0.003","90","","2647.6","0.5","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C8-BSBS","C8-BSBS","","- C30 H40 Se2 -","- C30 H40 Se2 -","- C120 H160 Se8 -","4","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.71075","MoKα","","0.0886","0.0706","","","0.1918","0.2167","","","","","","1.065","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000982","5.6136","0.0011","7.2956","0.0017","36.003","0.01","90","","92.881","0.01","90","","1472.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C10-BSBS","C10-BSBS","","- C34 H48 Se2 -","- C34 H48 Se2 -","- C68 H96 Se4 -","2","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.71075","MoKα","","0.0434","0.0342","","","0.0812","0.083","","","","","","1.134","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000983","74.517","0.012","4.4014","0.0007","10.6926","0.0019","90","0.002","94.5","0.003","90","0.002","3496.1","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C12-BSBS","C12-BSBS","","- C38 H56 Se2 -","- C38 H56 Se2 -","- C152 H224 Se8 -","4","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.7107","MoKα","","0.0916","0.0688","","","0.1689","0.185","","","","","","0.901","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000984","5.5648","0.0006","7.3316","0.0008","45.334","0.004","90","","93.289","0.003","90","","1846.5","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C14-BSBS","C14-BSBS","","- C42 H64 Se2 -","- C42 H64 Se2 -","- C84 H128 Se4 -","2","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.71075","MoKα","","0.0756","0.0582","","","0.1433","0.1527","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000985","10.354","0.0012","10.354","0.0012","37.055","0.004","90","","90","","120","","3440.3","0.7","100","1","100","1","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B2 H8 Mg -","- B2 H8 Mg -","- B60 H240 Mg30 -","30","2.5","","Filinchuk, Yaroslav; Černý, Radovan; Hagemann, Hans","Insight into Mg(BH4)2with Synchrotron X-ray Diffraction: Structure Revision, Crystal Chemistry, and Anomalous Thermal Expansion","Chemistry of Materials","2009","21","5","925","","10.1021/cm803019e","","","0.77029","synchrotron","","0.0445","0.0408","","","0.0929","0.0952","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000986","9.146","0.002","9.965","0.002","17.876","0.004","103.623","0.003","91.975","0.003","116.457","0.003","1399.2","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Cl2 Zr -","- C32 H38 Cl2 Zr -","- C64 H76 Cl4 Zr2 -","2","1","","Sun, Luyi; Liu, Jia; Kirumakki, Sharath R.; Schwerdtfeger, Eric D.; Howell, Robert J.; Al-Bahily, Khalid; Miller, Stephen A.; Clearfield, Abraham; Sue, Hung-Jue","Polypropylene Nanocomposites Based on Designed Synthetic Nanoplatelets","Chemistry of Materials","2009","21","6","1154","","10.1021/cm803024e","","","0.71073","MoKα","","0.0577","0.0411","","","0.0935","0.1053","","","","","","1.083","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000987","5.49945","0.00016","5.42638","0.00018","11.3846","0.0005","90","","90","","90","","339.74","0.02","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000988","5.52598","0.00023","5.4558","0.00025","11.4457","0.0006","90","","90","","90","","345.07","0.03","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000989","5.55375","0.00031","5.4966","0.00031","11.5086","0.0009","90","","90","","90","","351.32","0.04","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000990","5.49484","0.00016","5.42153","0.00017","11.3721","0.0004","90","","90","","90","","338.78","0.019","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000991","14.447","0.0009","12.496","0.0011","14.806","0.0012","70.521","0.004","82.682","0.004","88.718","0.005","2498.8","0.3","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O8 Re S8 -","- C72 O32 Re4 S32 -","4","2","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0943","0.07","","","0.1665","0.1775","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000992","7.272","0.0005","12.513","0.0013","14.88","0.0014","70.492","0.005","82.574","0.005","89.032","0.006","1265.1","0.2","220","0.2","220","0.2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O7.96 Re S8 -","- C36 O15.92 Re2 S16 -","2","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0643","0.0537","","","0.1566","0.1619","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000993","7.302","0.0007","12.531","0.0016","14.911","0.0018","70.475","0.006","82.402","0.007","89.078","0.007","1274.1","0.3","260","0.2","260","0.2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O7.96 Re S8 -","- C36 O15.92 Re2 S16 -","2","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0677","0.0528","","","0.1483","0.1551","","","","","","1.111","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000994","7.332","0.002","12.552","0.003","14.943","0.006","70.452","0.009","82.256","0.018","89.115","0.01","1283.5","0.7","300","0.2","300","2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O7.96 Re S8 -","- C36 O15.92 Re2 S16 -","2","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0794","0.0585","","","0.1872","0.1993","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000995","8.415","0.0017","21.17","0.004","29.326","0.006","90","","90.6","0.03","90","","5224","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(MeEDO-TTF)2ReO4","(MeEDO-TTF)2ReO4","","- C18 H8 O8 Re S8 -","- C18 O8 Re S8 -","- C144 O64 Re8 S64 -","8","2","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.134","0.0886","","","0.2306","0.2573","","","","","","1.019","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000996","8.382","0.0005","21.511","0.0014","16.292","0.0019","90","","97.587","0.006","90","","2911.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","(MeEDO-TTF)4HCTMM","(MeEDO-TTF)4HCTMM","","- C46 H32 N6 O8 S16 -","- C46 H32 N6 O8 S16 -","- C92 H64 N12 O16 S32 -","2","0.5","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.137","0.1144","","","0.3257","0.3452","","","","","","1.374","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000997","8.351","0.0008","14.372","0.0014","15.421","0.0019","112.353","0.006","100.095","0.007","96.184","0.006","1654.1","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","(MeEDO-TTF)5(CoCl4)2","(MeEDO-TTF)5(CoCl4)2","","- C45 H40 Cl8 Co2 O10 S20 -","- C45 H40 Cl8 Co2 O10 S20 -","- C45 H40 Cl8 Co2 O10 S20 -","1","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0975","0.0597","","","0.1392","0.1602","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000998","8.383","0.0008","14.457","0.0014","15.359","0.0019","111.965","0.006","99.799","0.007","96.161","0.006","1671.1","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","(MeEDO-TTF)5(MnCl4)2","(MEDO-TTF)5(MnCl4)2","","- C45 H40 Cl8 Mn2 O10 S20 -","- C44.99 H40 Cl8 Mn2 O10 S20 -","- C44.99 H40 Cl8 Mn2 O10 S20 -","1","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0756","0.0562","","","0.1332","0.1453","","","","","","1.043","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000999","10.9878","0.0006","11.279","0.0008","12.8651","0.0009","111.898","0.003","90.934","0.003","97.886","0.002","1461.41","0.17","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","Ye, Shanghui; Liu, Yunqi; Di, Chong-an; Xi, Hongxia; Wu, Weiping; Wen, Yugen; Lu, Kun; Du, Chunyan; Liu, Ying; Yu, Gui","Wide-Energy-Gap Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes","Chemistry of Materials","2009","21","7","1333","","10.1021/cm8032302","","","0.7107","MoKα","","0.0753","0.0578","","","0.1169","0.1258","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001000","22.474","0.002","10.6415","0.001","14.7196","0.0014","90","","90","","90","","3520.3","0.6","113","2","113","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C51 H38 -","- C51 H38 -","- C204 H152 -","4","0.5","","Ye, Shanghui; Liu, Yunqi; Di, Chong-an; Xi, Hongxia; Wu, Weiping; Wen, Yugen; Lu, Kun; Du, Chunyan; Liu, Ying; Yu, Gui","Wide-Energy-Gap Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes","Chemistry of Materials","2009","21","7","1333","","10.1021/cm8032302","","","0.7107","MoKα","","0.0375","0.0356","","","0.0841","0.0854","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001001","9.1263","0.0002","9.1263","0.0002","2.9899","0.0001","90","","90","","120","","215.664","0.01","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Bi0.78 Li2 O12 Rh6 -","- Bi0.78 Li2 O12 Rh6 -","- Bi0.78 Li2 O12 Rh6 -","1","0.0833333","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0168","0.0153","","","0.0315","0.032","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001002","9.202","0.003","9.202","0.003","2.987","0.002","90","","90","","120","","219.04","0.18","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Bi0.75 O12 Rh4.92 Sc2.18 -","- Bi0.748 O12 Rh4.926 Sc2.176 -","- Bi0.748 O12 Rh4.926 Sc2.176 -","1","0.0833333","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0212","0.0203","","","0.0527","0.054","","","","","","1.282","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001003","8.9927","0.0004","8.9927","0.0004","3.0604","0.0003","90","","90","","120","","214.33","0.02","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Be Bi0.34 O6 Rh3 -","- Be Bi0.341 O6 Rh3 -","- Be2 Bi0.682 O12 Rh6 -","2","0.166667","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0188","0.0186","","","0.0573","0.0574","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001004","9.129","0.004","9.129","0.004","2.985","0.003","90","","90","","120","","215.4","0.3","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Li2 O12 Pb0.76 Rh6 -","- Li2 O12 Pb0.76 Rh6 -","- Li2 O12 Pb0.76 Rh6 -","1","0.0833333","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0255","0.0197","","","0.0396","0.0413","","","","","","1.111","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001005","8.2783","0.001","8.2783","0.001","8.2783","0.001","90","","90","","90","","567.31","0.12","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Spinel-gallium-oxonitride","Gallium-oxonitride","","- Ga2.79 N0.76 O3.05 -","- Ga2.79 N0.7624 O3.052 -","- Ga22.32 N6.0992 O24.416 -","8","0.0416667","","Huppertz, Hubert; Hering, Stefanie A.; Zvoriste, Carmen E.; Lauterbach, Stefan; Oeckler, Oliver; Riedel, Ralf; Kinski, Isabel","High-Pressure Synthesis, Electron Energy-Loss Spectroscopy Investigations, and Single Crystal Structure Determination of a Spinel-Type Gallium Oxonitride Ga2.79◻0.21(O3.05N0.76◻0.19)","Chemistry of Materials","2009","21","10","2101","","10.1021/cm803371k","","","0.71073","MoKα","","0.0191","0.0171","","","0.0516","0.0528","","","","","","1.153","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001006","8.8298","0.0008","12.2817","0.0004","14.3159","0.0005","91.086","0.002","103.967","0.002","95.266","0.002","1498.87","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Fe N10 O2 S2 -","- C28 H30 Fe N10 O2 S2 -","- C56 H60 Fe2 N20 O4 S4 -","2","1","","Bonnet, Sylvestre; Molnár, Gábor; Sanchez Costa, José; Siegler, Maxime A.; Spek, Anthony L.; Bousseksou, Azedine; Fu, Wen-Tian; Gamez, Patrick; Reedijk, Jan","Influence of Sample Preparation, Temperature, Light, and Pressure on the Two-Step Spin Crossover Mononuclear Compound [Fe(bapbpy)(NCS)2]","Chemistry of Materials","2009","21","6","1123","","10.1021/cm803414q","","","0.71073","MoKα","","0.0785","0.0464","","","0.086","0.093","","","","","","1.191","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001007","14.0652","0.0002","3.9413","0.0001","6.7477","0.0001","90","","91.283","0.001","90","","373.966","0.012","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K0.05 La0.91 Nb O4.1 -","- K0.05 La0.913 Nb O4.099 -","- K0.2 La3.652 Nb4 O16.396 -","4","1","","Nyman, May; Rodriguez, Mark A.; Alam, Todd M.; Anderson, Travis M.; Ambrosini, Andrea","Aqueous Synthesis and Structural Comparison of Rare Earth Niobates and Tantalates: (La,K,◻)2Nb2O7−x(OH)2and Ln2Ta2O7(OH)2(◻ = vacancy; Ln = La−Sm)","Chemistry of Materials","2009","21","11","2201","","10.1021/cm9001509","powder diffraction","x-ray","0.41317","synchrotron","","","","","","","","0.03372","","1.73","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001008","5.752","0.002","8.88","0.004","13.167","0.005","87.439","0.008","84.837","0.008","86.219","0.008","667.8","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","6,13-dihydro-6,13-diazapentacene","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Tang, Qin; Zhang, Dieqing; Wang, Shenglong; Ke, Ning; Xu, Jianbin; Yu, Jimmy C.; Miao, Qian","A Meaningful Analogue of Pentacene: Charge Transport, Polymorphs, and Electronic Structures of Dihydrodiazapentacene","Chemistry of Materials","2009","21","7","1400","","10.1021/cm9001916","","","0.71073","MoKα","","0.0793","0.0559","","","0.1549","0.1869","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001009","25.0681","0.0008","9.2334","0.0003","23.8407","0.0008","90","","100.205","0.0005","90","","5431","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H30 B2 F24 O6 -","- C60 H30 B2 F24 O6 -","- C240 H120 B8 F96 O24 -","4","0.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0923","0.0541","","","0.1177","0.1399","","","","","","1.027","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001010","14.9941","0.0004","9.1881","0.0003","15.3393","0.0004","90","","100.575","0.0004","90","","2077.36","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H42 B2 O8 -","- C54 H42 B2 O8 -","- C108 H84 B4 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0403","0.0383","","","0.1005","0.1027","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001011","15.0896","0.0006","9.2975","0.0003","15.4377","0.0006","90","","100.947","0.0005","90","","2126.43","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H42 B2 O8 -","- C54 H42 B2 O8 -","- C108 H84 B4 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0538","0.0455","","","0.1125","0.1188","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001012","17.22","0.003","10.4078","0.0017","13.283","0.002","90","","100.181","0.003","90","","2343.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B O8 -","- C30 H22 B O8 -","- C120 H88 B4 O32 -","4","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0903","0.0669","","","0.165","0.177","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001013","17.324","0.006","10.56","0.003","13.652","0.005","90","","99.007","0.007","90","","2466.7","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B O8 -","- C30 H22 B O8 -","- C120 H88 B4 O32 -","4","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.1417","0.0803","","","0.1988","0.2372","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001014","12.655","0.002","13.72","0.003","18.273","0.003","73.905","0.004","89.524","0.005","80.516","0.005","3004.3","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H34 B2 F24 O8 -","- C62 H34 B2 F24.009 O8 -","- C124 H68 B4 F48.018 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0797","0.0489","","","0.1195","0.1383","","","","","","1.013","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001015","7.1364","0.0004","7.1364","0.0004","11.4687","0.0013","90","","90","","120","","505.83","0.07","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- O12 Rb Se2 V3 -","- O12 Rb Se2 V3 -","- O24 Rb2 Se4 V6 -","2","0.333333","","Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv","New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12","Chemistry of Materials","2009","21","8","1654","","10.1021/cm9002614","","","0.71073","MoKα","","0.0209","0.0189","","","0.0349","0.0353","","","","","","0.99","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001016","7.1248","0.0003","7.1248","0.0003","11.4287","0.0011","90","","90","","120","","502.43","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","","","","- O12 Se2 Tl V3 -","- O12 Se2 Tl V3 -","- O24 Se4 Tl2 V6 -","2","0.333333","","Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv","New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12","Chemistry of Materials","2009","21","8","1654","","10.1021/cm9002614","","","0.71073","MoKα","","0.0311","0.0285","","","0.0716","0.0724","","","","","","1.09","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001017","64.229","0.005","7.6301","0.0005","5.8399","0.0004","90","","92.136","0.004","90","","2860","0.4","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 S2 -","- C34 H38 S2 -","- C136 H152 S8 -","4","0.5","","Liu, Ping; Wu, Yiliang; Pan, Hualong; Li, Yuning; Gardner, Sandra; Ong, Beng S.; Zhu, Shiping","Novel High-Performance Liquid-Crystalline Organic Semiconductors for Thin-Film Transistors","Chemistry of Materials","2009","21","13","2727","","10.1021/cm900265q","","","1.54178","CuKα","","0.1516","0.1094","","","0.2861","0.3278","","","","","","1.017","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001018","26.259","0.005","7.36","0.0015","6.1739","0.0012","90","","94.51","0.03","90","","1189.5","0.4","113","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 S6 -","- C30 H16 S6 -","- C60 H32 S12 -","2","0.5","","Zhang, Lei; Tan, Lin; Wang, Zhaohui; Hu, Wenping; Zhu, Daoben","High-Performance, Stable Organic Field-Effect Transistors Based ontrans-1,2-(Dithieno[2,3-b:3′,2′-d]thiophene)ethene","Chemistry of Materials","2009","21","9","1993","","10.1021/cm900369s","","","0.71073","MoKα","","0.0822","0.0646","","","0.1422","0.1493","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001019","6.0327","0.0012","13.627","0.003","15.26","0.003","107.89","0.03","96.87","0.03","91.74","0.03","1182.3","0.5","113","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H12 S8 -","- C26 H12 S8 -","- C52 H24 S16 -","2","1","","Zhang, Lei; Tan, Lin; Wang, Zhaohui; Hu, Wenping; Zhu, Daoben","High-Performance, Stable Organic Field-Effect Transistors Based ontrans-1,2-(Dithieno[2,3-b:3′,2′-d]thiophene)ethene","Chemistry of Materials","2009","21","9","1993","","10.1021/cm900369s","","","0.71073","MoKα","","0.1319","0.075","","","0.1546","0.1835","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001020","10.485","","10.485","","10.901","","90","","90","","120","","1037.85","","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Cl6 Fe H12 O6 Pt -","- Cl6 Fe H12 O6 Pt -","- Cl18 Fe3 H36 O18 Pt3 -","3","0.166667","","Capobianchi, Aldo; Colapietro, Marcello; Fiorani, Dino; Foglia, Sabrina; Imperatori, Patrizia; Laureti, Sara; Palange, Elia","General Strategy for Direct Synthesis of L10Nanoparticle Alloys from Layered Precursor: The Case of FePt","Chemistry of Materials","2009","21","10","2007","2009","10.1021/cm9003992","","","0.71073","","","0.026","0.026","","0.033","0.033","","","","1.164","1.164","1.164","","","","","has coordinates","218794","2020-10-21","18:00:00",""
"4001021","12.544","0.002","6.8773","0.0011","18.322","0.003","90","","101.746","0.003","90","","1547.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N4 Pt -","- C13 H17 N4 Pt -","- C52 H68 N16 Pt4 -","4","1","","Drew, Steven M.; Smith, Lisa I.; McGee, Kari A.; Mann, Kent R.","A Platinum(II) Extended Linear Chain Material That Selectively Uptakes Benzene","Chemistry of Materials","2009","21","14","3117","","10.1021/cm900401u","","","0.71073","MoKα","","0.0262","0.0197","","","0.0426","0.0445","","","","","","1.001","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001022","9.5109","0.0017","21.228","0.004","6.4158","0.0012","90","","96.675","0.003","90","","1286.6","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H14 N4 Pt -","- C10 H14 N4 Pt -","- C40 H56 N16 Pt4 -","4","1","","Drew, Steven M.; Smith, Lisa I.; McGee, Kari A.; Mann, Kent R.","A Platinum(II) Extended Linear Chain Material That Selectively Uptakes Benzene","Chemistry of Materials","2009","21","14","3117","","10.1021/cm900401u","","","0.71073","MoKα","","0.0321","0.0252","","","0.0491","0.0507","","","","","","0.995","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001023","11.787","0.002","5.9569","0.0012","18.334","0.004","90","","97.17","0.03","90","","1277.2","0.4","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 -","- C38 H22 -","- C76 H44 -","2","0.5","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71073","MoKα","","0.0885","0.0479","","","0.09","0.1005","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001024","22.866","0.005","5.3567","0.0011","16.93","0.003","90","","99.72","0.03","90","","2043.9","0.7","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71073","MoKα","","0.1008","0.0594","","","0.1235","0.1388","","","","","","1.09","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001025","16.508","0.003","10.367","0.002","21.587","0.004","90","","90","","90","","3694.4","1.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H14 S2 -","- C26.01 H14.01 S1.861 -","- C208.08 H112.08 S14.888 -","8","1","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71069","MoKα","","0.0918","0.049","","","0.1211","0.142","","","","","","0.81","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001026","5.6102","0.0011","12.937","0.003","13.201","0.003","111.53","0.03","99.42","0.03","94.75","0.03","868.5","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H44 O2 S4 -","- C42 H44 O2 S4 -","- C42 H44 O2 S4 -","1","0.5","","Wang, Jie-Yu; Zhou, Yan; Yan, Jing; Ding, Lin; Ma, Yuguo; Cao, Yong; Wang, Jian; Pei, Jian","New Fused Heteroarenes for High-Performance Field-Effect Transistors","Chemistry of Materials","2009","21","13","2595","","10.1021/cm900568k","","","0.71073","MoKα","","0.0759","0.044","","","0.0968","0.1076","","","","","","0.905","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001027","10.3537","0.0002","10.3537","0.0002","13.2837","0.0005","90","","90","","120","","1233.22","0.06","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- O15 Pb3 Rh7 -","- O15 Pb3 Rh7 -","- O60 Pb12 Rh28 -","4","0.166667","","Mizoguchi, Hiroshi; Ramirez, A. P.; Siegrist, T.; Zakharov, L. N.; Sleight, A. W.; Subramanian, M. A.","Possible Verwey-Type Transition in Pb3Rh7O15","Chemistry of Materials","2009","21","11","2300","","10.1021/cm900697s","","","0.71073","MoKα","","0.0173","0.017","","","0.0391","0.0392","","","","","","1.209","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001028","10.351","0.005","10.351","0.005","13.152","0.013","90","","90","","120","","1220.4","1.5","268","2","268","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Bi0.96 O15 Pb2.04 Rh7 -","- Bi0.96 O15 Pb2.04 Rh7 -","- Bi3.84 O60 Pb8.16 Rh28 -","4","0.166667","","Mizoguchi, Hiroshi; Ramirez, A. P.; Siegrist, T.; Zakharov, L. N.; Sleight, A. W.; Subramanian, M. A.","Possible Verwey-Type Transition in Pb3Rh7O15","Chemistry of Materials","2009","21","11","2300","","10.1021/cm900697s","","","0.71073","MoKα","","0.0228","0.0212","","","0.0487","0.0504","","","","","","1.276","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001029","7.805","0.0003","11.0797","0.0005","9.4489","0.0004","90","","106.013","0.002","90","","785.41","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl2 N4 O0 Se2 -","- C10 H16 Cl2 N4 Se2 -","- C20 H32 Cl4 N8 Se4 -","2","1","","Choi, Jaewon; Ko, Ju Hong; Jung, Il Gu; Yang, Hye Yun; Ko, Kyoung Chul; Lee, Jin Yong; Lee, Sang Moon; Kim, Hae Jin; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk","Reaction of Imidazoline-2-Selone with Acids and Its Use for Selective Coordination of Platinum Ions on Silica Surface","Chemistry of Materials","2009","21","13","2571","","10.1021/cm900802z","","","0.71073","MoKα","","0.0225","0.0201","","","0.041","0.0415","","","","","","0.915","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001030","18.824","0.003","7.6306","0.0011","12.438","0.0018","90","","90","","90","","1786.6","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H16 Cl4 N4 Pt Se2 -","- C10 H16 Cl4 N4 Pt Se2 -","- C40 H64 Cl16 N16 Pt4 Se8 -","4","1","","Choi, Jaewon; Ko, Ju Hong; Jung, Il Gu; Yang, Hye Yun; Ko, Kyoung Chul; Lee, Jin Yong; Lee, Sang Moon; Kim, Hae Jin; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk","Reaction of Imidazoline-2-Selone with Acids and Its Use for Selective Coordination of Platinum Ions on Silica Surface","Chemistry of Materials","2009","21","13","2571","","10.1021/cm900802z","","","0.71073","MoKα","","0.0662","0.0406","","","0.0782","0.0868","","","","","","0.972","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001031","7.6858","0.0006","7.6858","0.0006","7.6858","0.0006","90","","90","","90","","454.01","0.06","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Eu Rh1.08 Zn0.92 -","- Eu Rh1.078 Zn0.922 -","- Eu8 Rh8.624 Zn7.376 -","8","0.0416667","","Hermes, Wilfried; Harmening, Thomas; Pöttgen, Rainer","Ferromagnetism and Magnetocaloric Effect around 95 K in the Laves Phase EuRh1.2Zn0.8","Chemistry of Materials","2009","21","14","3325","","10.1021/cm900841t","","","0.56083","AgKα","","0.0168","0.0095","","","0.0114","0.0121","","","","","","1.207","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001032","12.9582","0.0009","13.1246","0.0009","20.0338","0.0014","106.486","0.001","100.577","0.001","98.147","0.001","3143","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","07146","","","- C66 H48 B Cu F24 N4 -","- C66 H48 B Cu F24 N4 -","- C132 H96 B2 Cu2 F48 N8 -","2","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.0653","0.0465","","","0.1147","0.1287","","","","","","1.023","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001033","13.5298","0.001","14.5589","0.001","16.8576","0.0012","104.85","0.001","106.354","0.001","97.85","0.001","3000.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","06203","","","- C60 H36 B Cu F24 N4 -","- C60 H36 B Cu F24 N4 -","- C120 H72 B2 Cu2 F48 N8 -","2","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.0875","0.0543","","","0.122","0.1344","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001034","16.171","0.001","16.194","0.001","16.754","0.001","113.524","0.001","90.951","0.002","107.56","0.001","3787.9","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","08232","","","- C84 H52 B Cu F24 N4 -","- C84 H52 B Cu F24 N4 -","- C168 H104 B2 Cu2 F48 N8 -","2","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71069","MoKα","","0.1116","0.0658","","","0.1605","0.1913","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001035","12.514","0.003","18.018","0.004","23.063","0.005","90","","90.103","0.004","90","","5200","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 B Cu F4 N4 -","- C28 H24 B Cu F4 N4 -","- C224 H192 B8 Cu8 F32 N32 -","8","2","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.0806","0.0529","","","0.1178","0.1325","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001036","14.586","0.0017","17.2051","0.0019","14.3183","0.0016","90","","103.637","0.002","90","","3491.9","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","09017","","","- C36 H40 B Cu F4 N4 -","- C36 H40 B Cu F4 N4 -","- C144 H160 B4 Cu4 F16 N16 -","4","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.1126","0.0546","","","0.1407","0.1758","","","","","","1.019","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001037","11.6719","0.0006","13.2121","0.0007","20.8465","0.0011","72.96","0.001","80.787","0.001","86.489","0.001","3033.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H43 N O4 Pt -","- C34 H43 N O4 Pt -","- C136 H172 N4 O16 Pt4 -","4","2","","Santoro, Amedeo; Whitwood, Adrian C.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Bruce, Duncan W.","Synthesis, Mesomorphism, and Luminescent Properties of Calamitic 2-Phenylpyridines and Their Complexes with Platinum(II)","Chemistry of Materials","2009","21","16","3871","","10.1021/cm9012156","","","0.71073","MoKα","","0.0346","0.0284","","","0.0695","0.0721","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001038","11.5266","0.0007","11.5631","0.0007","13.0188","0.0008","102.94","0.001","90.928","0.001","109.123","0.001","1590.23","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H47 N O4 Pt -","- C37 H47 N O4 Pt -","- C74 H94 N2 O8 Pt2 -","2","1","","Santoro, Amedeo; Whitwood, Adrian C.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Bruce, Duncan W.","Synthesis, Mesomorphism, and Luminescent Properties of Calamitic 2-Phenylpyridines and Their Complexes with Platinum(II)","Chemistry of Materials","2009","21","16","3871","","10.1021/cm9012156","","","0.71073","MoKα","","0.0274","0.0228","","","0.0539","0.0555","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001039","25.5055","0.0012","21.3004","0.001","37.4088","0.0018","90","","108.121","0.001","90","","19315.4","1.6","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Cl N O3 Pt S -","- C34 H45.998 Cl N O3 Pt S -","- C816 H1103.95 Cl24 N24 O72 Pt24 S24 -","24","6","","Santoro, Amedeo; Whitwood, Adrian C.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Bruce, Duncan W.","Synthesis, Mesomorphism, and Luminescent Properties of Calamitic 2-Phenylpyridines and Their Complexes with Platinum(II)","Chemistry of Materials","2009","21","16","3871","","10.1021/cm9012156","","","0.71073","MoKα","","0.0491","0.0329","","","0.0719","0.079","","","","","","1.08","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001040","9.2822","0.0009","3.8967","0.0004","12.0777","0.0011","90","","95.522","0.001","90","","434.82","0.07","100","1","100","1","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- Eu Ga2 P2 -","- Eu1.009 Ga1.982 P2 -","- Eu4.036 Ga7.928 P8 -","4","1","","Goforth, Andrea M.; Hope, Håkon; Condron, Cathie L.; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary","Magnetism and Negative Magnetoresistance of Two Magnetically Ordering, Rare-Earth-Containing Zintl phases with a New Structure Type: EuGa2Pn2(Pn = P, As)","Chemistry of Materials","2009","21","19","4480","","10.1021/cm901219u","","","0.71073","MoKα","","0.0159","0.0148","","","0.0325","0.0327","","","","","","1.197","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001041","9.4953","0.0007","4.0294","0.0003","12.4237","0.0009","90","","95.304","0.001","90","","473.3","0.06","100","1","100","1","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- As2 Eu Ga2 -","- As2 Eu1.00685 Ga1.9863 -","- As8 Eu4.0274 Ga7.9452 -","4","1","","Goforth, Andrea M.; Hope, Håkon; Condron, Cathie L.; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary","Magnetism and Negative Magnetoresistance of Two Magnetically Ordering, Rare-Earth-Containing Zintl phases with a New Structure Type: EuGa2Pn2(Pn = P, As)","Chemistry of Materials","2009","21","19","4480","","10.1021/cm901219u","","","0.71073","MoKα","","0.0161","0.0155","","","0.0315","0.0317","","","","","","1.261","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001042","10.9807","0.0006","16.9871","0.0007","17.3239","0.0007","81.0128","0.0014","82.301","0.002","75.0575","0.0016","3068.9","0.2","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cu F12 N4 P2 -","- C24 H28 Cu F12 N4 P2 -","- C96 H112 Cu4 F48 N16 P8 -","4","2","","Noro, Shin-ichiro; Tanaka, Daisuke; Sakamoto, Hirotoshi; Shimomura, Satoru; Kitagawa, Susumu; Takeda, Sadamu; Uemura, Kazuhiro; Kita, Hidetoshi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Selective Gas Adsorption in One-Dimensional, Flexible Cu^II^ Coordination Polymers with Polar Units","Chemistry of Materials","2009","21","14","3346","3355","10.1021/cm9012969","","","0.71075","MoKα","","","0.0353","","","","0.0591","","","","","","1.064","","","","has coordinates","218799","2020-10-21","18:00:00",""
"4001043","20.652","0.003","6.798","0.001","9.954","0.001","90","","92.145","0.006","90","","1396.5","0.3","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 O5 V -","- C14 O5 V -","- C56 O20 V4 -","4","1","","Djerdj, Igor; Cao, Minhua; Rocquefelte, Xavier; Černý, Radovan; Jagličić, Zvonko; Arčon, Denis; Potočnik, Anton; Gozzo, Fabia; Niederberger, Markus","Structural Characterization of a Nanocrystalline Inorganic−Organic Hybrid with Fiberlike Morphology and One-Dimensional Antiferromagnetic Properties","Chemistry of Materials","2009","21","14","3356","","10.1021/cm901345h","powder diffraction","","1.03469","synchrotron","","","","","","","","","1.02","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001044","3.986","0.003","12.488","0.001","25.251","0.002","90","","90","","90","","1256.9","1","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Br0.41 I0.85 S4 Se2 -","- C5.5 H3 I1.14 S4 Se2 -","- C22 H12 I4.56 S16 Se8 -","4","0.5","","Bando, Yoshimasa; Kawamoto, Tadashi; Mori, Takehiko; Kakiuchi, Toru; Sawa, Hiroshi; Takimiya, Kazuo; Otsubo, Tetsuo","Organic Superconductivity Enhanced by Asymmetric-Anion Random Potential in (MDT-TS)I0.85Br0.41[MDT-TS = 5H-2-(1,3-diselenole-2-ylidene)-1,3,4,6-tetrathiapentalene]","Chemistry of Materials","2009","21","15","3521","","10.1021/cm901456j","","","0.7107","MoKα","","","0.0325","","","","0.0301","","","","","","1.303","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001045","11.579","0.003","5.476","0.001","59.015","0.002","90","","90.28","0.02","90","","3741.9","1.2","300","","293","","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Bi14.32 O42 P7 Zn1.99 -","- Bi14.31 O41 P7 Zn1.9936 -","- Bi57.24 O164 P28 Zn7.9744 -","4","1","","Huvé, Marielle; Colmont, Marie; Lejay, Julien; Aschehoug, Patrick; Mentré, Olivier","Building Units and Intergrowths: Toward the Design of an Extended Family of Acentric Bi-Based Materials with Second Harmonic Generacy","Chemistry of Materials","2009","21","17","4019","","10.1021/cm901466e","","","0.71069","MoKα","","0.1107","0.0817","","","0.0774","0.0984","","","","2.48","2.48","2.51","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001046","11.4651","0.0003","11.4651","0.0003","8.9154","0.0003","90","","90","","90","","1171.92","0.06","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C4 H0 Ho K O12 -","- C4 Ho K O12 -","- C16 Ho4 K4 O48 -","4","0.125","","Mohapatra, Sudip; Hembram, K. P. S. S.; Waghmare, Umesh; Maji, Tapas Kumar","Immobilization of Alkali Metal Ions in a 3D Lanthanide-Organic Framework: Selective Sorption and H2Storage Characteristics","Chemistry of Materials","2009","21","22","5406","","10.1021/cm9014749","","","0.71073","MoKα","","0.0291","0.0255","","","0.0921","0.0927","","","","","","1.385","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001047","13.6623","0.0005","13.9688","0.0006","18.0454","0.0009","90","","111.235","0.003","90","","3210.1","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H39 B2 Li2 N13 O -","- C27 H39 B2 Li2 N13 O -","- C108 H156 B8 Li8 N52 O4 -","4","1","","Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks","Chemistry of Materials","2009","21","16","3830","","10.1021/cm9015063","","","0.71073","MoKα","","0.118","0.096","","","0.2684","0.2889","","","","","","1.058","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001048","16.3138","0.0001","16.3138","0.0001","16.3138","0.0001","90","","90","","90","","4341.76","0.05","150","2","150","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C20 H28 B Li N8 -","- C20 H28 B Li N8 -","- C120 H168 B6 Li6 N48 -","6","0.25","","Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks","Chemistry of Materials","2009","21","16","3830","","10.1021/cm9015063","","","0.71073","MoKα","","0.0752","0.0691","","","0.2063","0.2121","","","","","","1.045","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001049","12.4369","0.0003","13.4869","0.0003","17.8943","0.0003","90","","90.709","0.001","90","","3001.27","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 B Li N9 O -","- C32 H31 B Li N9 O -","- C128 H124 B4 Li4 N36 O4 -","4","1","","Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks","Chemistry of Materials","2009","21","16","3830","","10.1021/cm9015063","","","0.71073","MoKα","","0.1006","0.0548","","","0.1356","0.1596","","","","","","1.07","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001050","5.8511","0.0012","16.252","0.003","10.372","0.002","90","","100.77","0.03","90","","968.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Bi Br5 N2 -","- C12 H14 Bi Br5 N2 -","- C24 H28 Bi2 Br10 N4 -","2","0.5","","Bi, Wenhua; Leblanc, Nicolas; Mercier, Nicolas; Auban-Senzier, Pascale; Pasquier, Claude","Thermally Induced Bi(III) Lone Pair Stereoactivity: Ferroelectric Phase Transition and Semiconducting Properties of (MV)BiBr5(MV= methylviologen)","Chemistry of Materials","2009","21","18","4099","","10.1021/cm9016003","","x-ray","0.71073","MoKα","","","0.0408","","","","0.086","","","","","","1.154","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001051","5.845","0.0012","16.248","0.003","10.318","0.002","90","","101.12","0.03","90","","961.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Bi Br5 N2 -","- C12 H14 Bi Br5 N2 -","- C24 H28 Bi2 Br10 N4 -","2","1","","Bi, Wenhua; Leblanc, Nicolas; Mercier, Nicolas; Auban-Senzier, Pascale; Pasquier, Claude","Thermally Induced Bi(III) Lone Pair Stereoactivity: Ferroelectric Phase Transition and Semiconducting Properties of (MV)BiBr5(MV= methylviologen)","Chemistry of Materials","2009","21","18","4099","","10.1021/cm9016003","","x-ray","0.71073","MoKα","","","0.0421","","","","0.0846","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001052","10.3829","0.0006","10.3829","","8.5722","0.0008","90","","90","","120","","800.31","0.09","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ba6 Nb3 O13.5 -","- Ba6 Nb3 O13.5 -","- Ba12 Nb6 O27 -","2","0.166667","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001053","3.33572","0.00023","3.33572","","3.33572","","90","","90","","90","","37.117","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001054","6.0327","0.0015","12.4065","0.0027","10.431","0.0032","90","","90","","90","","780.7","0.4","","","298","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Ba6 H Nb3 O14 -","- Ba6 H Nb3 O14 -","- Ba12 H2 Nb6 O28 -","2","0.5","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","neutron","1.621","","","","","","","","","0.08466","","2.83","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001055","11.6795","0.0003","19.9926","0.0006","8.9249","0.0003","90","","93.168","0.001","90","","2080.81","0.11","293","","293","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C2 H12 Co3 N2 O14 S3 -","- C2 H12 Co3 N2 O14 S3 -","- C12 H72 Co18 N12 O84 S18 -","6","1.5","","Powell, Anthony V.; Leyva-Bailen, Patricia; Vaqueiro, Paz; Sanchez, Rodolfo D.","Co3(SO4)3(OH)2[enH2]: A NewS= 3/2 Kagome-Type Layered Sulfate with a Unique Connectivity","Chemistry of Materials","2009","21","18","4102","","10.1021/cm901765n","","","0.71073","MoKα","","0.022","0.0211","","0.0258","0.0255","0.0255","","","","","","1.0646","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001056","9.4541","0.0003","16.3285","0.0005","15.0644","0.0005","90","","90.212","0.001","90","","2325.49","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H70 Br2 P4 Pd2 -","- C38 H70 Br2 P4 Pd2 -","- C76 H140 Br4 P8 Pd4 -","2","0.5","","Altman, Marc; Zenkina, Olena V.; Ichiki, Takahiko; Iron, Mark A.; Evmenenko, Guennadi; Dutta, Pulak; van der Boom, Milko E.","Positive Constructs: Charges Localized on Surface-Confined Organometallic Oligomers","Chemistry of Materials","2009","21","19","4676","","10.1021/cm901789e","","","0.71073","MoKα","","0.0506","0.034","","","0.0809","0.0885","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001057","9.5228","","5.4869","","5.4818","","90","","125.222","","90","","233.99","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce0.4 O3 Sr0.4 Ti -","- Ce0.3556 O2.6668 Sr0.3556 Ti0.888933 -","- Ce1.0668 O8.0004 Sr1.0668 Ti2.6668 -","3","0.375","","Ubic, Rick; Subodh, Ganesanpotti; Gout, Delphine; Sebastian, Mailadil T.; Proffen, Thomas","Crystal Structure of Sr0.4Ce0.4TiO3Ceramics","Chemistry of Materials","2009","21","19","4706","","10.1021/cm9018698","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001058","71.687","0.003","71.687","0.003","71.687","0.003","90","","90","","90","","368401","3","100","2","100","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C306 H102 Al51 O374 -","- C306 H102 Al51 O374 -","- C4896 H1632 Al816 O5984 -","16","0.0833333","","Volkringer, Christophe; Popov, Dimitry; Loiseau, Thierry; Férey, Gérard; Burghammer, Manfred; Riekel, Christian; Haouas, Mohamed; Taulelle, Francis","Synthesis, Single-Crystal X-ray Microdiffraction, and NMR Characterizations of the Giant Pore Metal-Organic Framework Aluminum Trimesate MIL-100","Chemistry of Materials","2009","21","24","5695","","10.1021/cm901983a","","","0.9612","synchrotron","","0.2279","0.1744","","","0.4014","0.4298","","","","","","1.441","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001059","8.3193","0.0007","11.207","0.0008","12.0009","0.0009","87.175","0.006","77.446","0.007","84.556","0.006","1086.75","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H3 Cl9 N2 S2 -","- C19 H3 Cl9 N2 S2 -","- C38 H6 Cl18 N4 S4 -","2","1","","Fang, Xiao-Liang; Deng, Shun-Liu; Wang, Jing; Wang, Xiao-Feng; Chen, Cheng; Li, Yue; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","From Self-Assembled Microspheres to Self-Templated Nanotubes: Morphologies and Properties of Sulfur-Bridged Fluoranthene-Based Organic Materials","Chemistry of Materials","2009","21","24","5763","","10.1021/cm901986k","","","0.71073","MoKα","","0.1071","0.0381","","","0.0521","0.0607","","","","","","0.714","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001060","11.8343","0.0009","12.336","0.0005","12.7275","0.0008","84.027","0.004","63.974","0.007","66.052","0.006","1519.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H9 Cl7 N6 S6 -","- C25 H9 Cl7 N6 S6 -","- C50 H18 Cl14 N12 S12 -","2","1","","Fang, Xiao-Liang; Deng, Shun-Liu; Wang, Jing; Wang, Xiao-Feng; Chen, Cheng; Li, Yue; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","From Self-Assembled Microspheres to Self-Templated Nanotubes: Morphologies and Properties of Sulfur-Bridged Fluoranthene-Based Organic Materials","Chemistry of Materials","2009","21","24","5763","","10.1021/cm901986k","","","0.71073","MoKα","","0.1286","0.0727","","","0.1697","0.1853","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001061","27.808","0.003","5.5222","0.0004","17.8631","0.0012","90","","117.876","0.004","90","","2424.8","0.4","93.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 S2 -","- C34 H24 S2 -","- C136 H96 S8 -","4","0.5","","Bolag, Altan; Mamada, Masashi; Nishida, Jun-ichi; Yamashita, Yoshiro","Field-Effect Transistors Based on Tetraphenyldipyranylidenes and the Sulfur Analogues","Chemistry of Materials","2009","21","19","4350","","10.1021/cm902037w","","","0.71075","MoKα","","","0.0418","","","","0.124","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001062","6.081","0.0007","9.2666","0.0011","11.819","0.0014","114.383","0.003","92.559","0.003","91.396","0.003","605.32","0.12","93.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 F4 O2 -","- C34 H20 F4 O2 -","- C34 H20 F4 O2 -","1","0.5","","Bolag, Altan; Mamada, Masashi; Nishida, Jun-ichi; Yamashita, Yoshiro","Field-Effect Transistors Based on Tetraphenyldipyranylidenes and the Sulfur Analogues","Chemistry of Materials","2009","21","19","4350","","10.1021/cm902037w","","","0.71075","MoKα","","","0.0509","","","","0.1493","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001063","7.82857","0.00008","11.21789","0.00012","7.46427","0.00008","90","","90","","90","","655.512","0.012","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- La O4 Ta -","- La O4 Ta -","- La8 O32 Ta8 -","8","1","","Nyman, May; Rodriguez, Mark A.; Rohwer, Lauren E.S.; Martin, James E.; Waller, Mollie; Osterloh, Frank E.","Unique LaTaO4Polymorph for Multiple Energy Applications","Chemistry of Materials","2009","21","19","4731","","10.1021/cm9020645","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001064","11.377","0.002","15.472","0.003","16.952","0.003","78.328","0.003","75.912","0.003","72.344","0.003","2731.1","0.9","274","1","274","1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Bi6 N26 O40 S8 -","- C78 H64 Bi6 N26 O40 S8 -","- C78 H64 Bi6 N26 O40 S8 -","1","0.5","","Stavila, Vitalie; Whitmire, Kenton H.; Rusakova, Irene","Synthesis of Bi2S3Nanostructures from Bismuth(III) Thiourea and Thiosemicarbazide Complexes","Chemistry of Materials","2009","21","22","5456","","10.1021/cm902229x","","","0.71073","MoKα","","0.2128","0.0727","","","0.1487","0.1813","","","","","","0.881","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001065","8.0243","0.0016","10.283","0.002","18.892","0.004","78.1","0.03","78.59","0.03","76.55","0.03","1465","0.6","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Bi N3 O7.5 S0.5 -","- C11 H10 Bi N3 O7.5 S0.5 -","- C44 H40 Bi4 N12 O30 S2 -","4","2","","Stavila, Vitalie; Whitmire, Kenton H.; Rusakova, Irene","Synthesis of Bi2S3Nanostructures from Bismuth(III) Thiourea and Thiosemicarbazide Complexes","Chemistry of Materials","2009","21","22","5456","","10.1021/cm902229x","","","0.71073","MoKα","","0.0361","0.0284","","","0.0741","0.0766","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001066","18.354","0.002","11.8461","0.0015","9.7261","0.0013","90","","104.899","0.002","90","","2043.6","0.4","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cd N4 O6 S2 -","- C16 H18 Cd N4 O6 S2 -","- C64 H72 Cd4 N16 O24 S8 -","4","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.054","0.0358","","","0.084","0.0997","","","","","","0.896","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001067","24.128","0.005","9.5953","0.0019","17.986","0.004","90","","109.6","0.03","90","","3922.8","1.6","298","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 Cd N6 O4.5 S2 -","- C14 H17 Cd N6 O4.5 S2 -","- C112 H136 Cd8 N48 O36 S16 -","8","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.029","0.0224","","","0.0565","0.0616","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001068","19.039","0.004","8.933","0.0018","13.876","0.003","90","","111.37","0.03","90","","2197.7","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H22 Cd N8 O6 S2 -","- C14 H22 Cd N8 O6 S2 -","- C56 H88 Cd4 N32 O24 S8 -","4","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.0842","0.0296","","","0.0627","0.0683","","","","","","0.595","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001069","9.2018","0.0009","9.991","0.001","15.9863","0.0015","80.069","0.002","82.155","0.002","88.526","0.002","1434.1","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H11 Cd N5 O4 S2 -","- C9 H11 Cd N5 O4 S2 -","- C36 H44 Cd4 N20 O16 S8 -","4","2","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.0809","0.0265","","","0.0528","0.0592","","","","","","0.422","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001070","9.3152","0.0006","11.1894","0.0007","17.3774","0.001","90","","94.253","0.001","90","","1806.28","0.19","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 Cd N7 O7 S2 -","- C9 H19 Cd N7 O7 S2 -","- C36 H76 Cd4 N28 O28 S8 -","4","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.0524","0.0267","","","0.0552","0.0583","","","","","","0.633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001071","9.748","0.001","20.048","0.001","7.489","0.001","90","","134.42","0.01","90","","1045.3","0.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","MIL-120","","","- C10 H20 Al4 O21 -","- C10 H10 Al4 O21 -","- C20 H20 Al8 O42 -","2","0.25","","Volkringer, Christophe; Loiseau, Thierry; Haouas, Mohamed; Taulelle, Francis; Popov, Dmitry; Burghammer, Manfred; Riekel, Christian; Zlotea, Claudia; Cuevas, Fermin; Latroche, Michel; Phanon, Delphine; Knöfelv, Christina; Llewellyn, Philip L.; Férey, Gérard","Occurrence of Uncommon Infinite Chains Consisting of Edge-Sharing Octahedra in a Porous Metal Organic Framework-Type Aluminum Pyromellitate Al4(OH)8[C10O8H2] (MIL-120): Synthesis, Structure, and Gas Sorption Properties","Chemistry of Materials","2009","21","24","5783","","10.1021/cm9023106","","","0.9613","synchrotron","","0.0947","0.0818","","","0.2184","0.2322","","","","","","0.964","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001072","10.69238","0.00033","10.69238","","10.69238","","90","","90","","90","","1222.43","0.04","","","298","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","Cerium zirconate","","","- Ce2 O7 Zr2 -","- Ce2 O7 Zr2 -","- Ce16 O56 Zr16 -","8","0.0416667","","Achary, S. Nagabhusan; Sali, Sanjay K.; Kulkarni, Narendra K.; Krishna, P. Siva Ram; Shinde, Anil B.; Tyagi, Avesh K.","Intercalation/Deintercalation of Oxygen: A Sequential Evolution of Phases in Ce2O3/CeO2−ZrO2Pyrochlores","Chemistry of Materials","2009","21","24","5848","","10.1021/cm902450q","powder diffraction","neutron","1.249","","","","","","","","","0.07167","","1.99","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001073","10.61007","0.00023","10.61007","","10.61007","","90","","90","","90","","1194.41","0.03","","","298","","","","","","","","Synthetic","3","F -4 3 m","F -4 2 3","216","Cerium zirconate","","","- Ce4 O15.02 Zr4 -","- Ce4 O15.0238 Zr4 -","- Ce16 O60.0952 Zr16 -","4","0.0416667","","Achary, S. Nagabhusan; Sali, Sanjay K.; Kulkarni, Narendra K.; Krishna, P. Siva Ram; Shinde, Anil B.; Tyagi, Avesh K.","Intercalation/Deintercalation of Oxygen: A Sequential Evolution of Phases in Ce2O3/CeO2−ZrO2Pyrochlores","Chemistry of Materials","2009","21","24","5848","","10.1021/cm902450q","powder diffraction","neutron","1.249","","","","","","","","","0.04246","","1.68","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001074","10.54431","0.00019","10.54431","","10.54431","","90","","90","","90","","1172.34","0.02","","","298","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","Cerium zirconate","","","- Ce O4 Zr -","- Ce O4 Zr -","- Ce16 O64 Zr16 -","16","1.33333","","Achary, S. Nagabhusan; Sali, Sanjay K.; Kulkarni, Narendra K.; Krishna, P. Siva Ram; Shinde, Anil B.; Tyagi, Avesh K.","Intercalation/Deintercalation of Oxygen: A Sequential Evolution of Phases in Ce2O3/CeO2−ZrO2Pyrochlores","Chemistry of Materials","2009","21","24","5848","","10.1021/cm902450q","powder diffraction","neutron","1.249","","","","","","","","","0.05191","","1.99","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001075","17.25","0.01","19.467","0.009","14.031","0.012","90","","95.22","0.05","90","","4692","5","233","2","233","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Cu3 N3 O12 -","- C51 H30 Cu3 N3 O12 -","- C204 H120 Cu12 N12 O48 -","4","1","","Kanoo, Prakash; Matsuda, Ryotaro; Higuchi, Masakazu; Kitagawa, Susumu; Maji, Tapas Kumar","New Interpenetrated Copper Coordination Polymer Frameworks having Porous Properties","Chemistry of Materials","2009","21","24","5860","","10.1021/cm9025683","","","0.71073","MoKα","","0.0507","0.0395","","","0.0902","0.0994","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001076","17.094","0.003","19.605","0.003","11.782","0.002","90","","113.95","0.004","90","","3608.5","1","243","2","243","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cu N O4.5 -","- C18 H13 Cu N O4.5 -","- C144 H104 Cu8 N8 O36 -","8","1","","Kanoo, Prakash; Matsuda, Ryotaro; Higuchi, Masakazu; Kitagawa, Susumu; Maji, Tapas Kumar","New Interpenetrated Copper Coordination Polymer Frameworks having Porous Properties","Chemistry of Materials","2009","21","24","5860","","10.1021/cm9025683","","","0.7107","MoKα","","0.0763","0.0576","","","0.1709","0.1903","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001077","10.5211","0.0013","10.7151","0.0013","5.7452","0.0007","90","","90","","90","","647.68","0.14","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- O5 Pb3 Se -","- O5 Pb3 Se -","- O20 Pb12 Se4 -","4","0.5","","Kim, Sang-Hwan; Yeon, Jeongho; Halasyamani, P. Shiv","Noncentrosymmetric Polar Oxide Material, Pb3SeO5: Synthesis, Characterization, Electronic Structure Calculations, and Structure−Property Relationships","Chemistry of Materials","2009","21","21","5335","","10.1021/cm902639p","","","0.71073","MoKα","","0.0263","0.0251","","","0.0506","0.0509","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001078","8.0322","0.0004","8.4306","0.0005","16.3624","0.001","88.66","0.003","81.815","0.003","61.977","0.002","966.93","0.1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H54 Si2 -","- C46 H54 Si2 -","- C46 H54 Si2 -","1","0.5","","Winzenberg, Kevin N.; Kemppinen, Peter; Fanchini, Giovanni; Bown, Mark; Collis, Gavin E.; Forsyth, Craig M.; Hegedus, Katalin; Singh, Th. Birendra; Watkins, Scott E.","Dibenzo[b,def]chrysene Derivatives: Solution-Processable Small Molecules that Deliver High Power-Conversion Efficiencies in Bulk Heterojunction Solar Cells","Chemistry of Materials","2009","21","24","5701","","10.1021/cm9028337","","","0.71073","MoKα","","0.0817","0.0749","","","0.1329","0.1355","","","","","","1.265","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001079","14.0386","0.0013","14.1668","0.0013","16.2804","0.0015","90.891","0.002","106.262","0.001","112.27","0.001","2849.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C101 H90 Fe6 O28 -","- C80 H66 Fe6 O28 -","- C80 H66 Fe6 O28 -","1","0.5","","Tahir, Asif Ali; Wijayantha, K. G. Upul; Saremi-Yarahmadi, Sina; Mazhar, Muhammad; McKee, Vickie","Nanostructured α-Fe2O3Thin Films for Photoelectrochemical Hydrogen Generation","Chemistry of Materials","2009","21","16","3763","","10.1021/cm803510v","","","0.71073","MoKα","","0.0539","0.0438","","","0.1143","0.119","","","","","","0.991","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001080","9.976","0.0013","11.281","0.0013","15.387","0.002","70.76","0.008","81.138","0.008","84.7","0.009","1613.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H50 N4 O2 -","- C37 H50 N4 O2 -","- C74 H100 N8 O4 -","2","1","","Cardinaels, Thomas; Ramaekers, Jan; Nockemann, Peter; Driesen, Kris; Van Hecke, Kristof; Van Meervelt, Luc; Lei, Shengbin; De Feyter, Steven; Guillon, Daniel; Donnio, Bertrand; Binnemans, Koen","Imidazo[4,5-f]-1,10-phenanthrolines: Versatile Ligands for the Design of Metallomesogens","Chemistry of Materials","2008","20","4","1278","","10.1021/cm070637i","","","1.54178","CuKα","","0.1271","0.0682","","","0.1607","0.196","","","","","","0.994","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001081","10.8917","0.0008","15.677","0.0011","15.9877","0.0008","117.819","0.003","97.656","0.004","93.066","0.005","2371.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 Eu F9 N4 O9 S3 -","- C45.774 H36 Eu F9 N4 O9 S3 -","- C91.548 H72 Eu2 F18 N8 O18 S6 -","2","1","","Cardinaels, Thomas; Ramaekers, Jan; Nockemann, Peter; Driesen, Kris; Van Hecke, Kristof; Van Meervelt, Luc; Lei, Shengbin; De Feyter, Steven; Guillon, Daniel; Donnio, Bertrand; Binnemans, Koen","Imidazo[4,5-f]-1,10-phenanthrolines: Versatile Ligands for the Design of Metallomesogens","Chemistry of Materials","2008","20","4","1278","","10.1021/cm070637i","","","1.54178","CuKα","","0.0674","0.0581","","","0.1403","0.1454","","","","","","0.975","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001082","8.89","0.006","10.729","0.007","13.263","0.008","81.23","0.04","71.34","0.04","80.52","0.04","1175.4","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Br N5 O4 Re -","- C25 H19 Br N5 O4 Re -","- C50 H38 Br2 N10 O8 Re2 -","2","1","","Cardinaels, Thomas; Ramaekers, Jan; Nockemann, Peter; Driesen, Kris; Van Hecke, Kristof; Van Meervelt, Luc; Lei, Shengbin; De Feyter, Steven; Guillon, Daniel; Donnio, Bertrand; Binnemans, Koen","Imidazo[4,5-f]-1,10-phenanthrolines: Versatile Ligands for the Design of Metallomesogens","Chemistry of Materials","2008","20","4","1278","","10.1021/cm070637i","","","1.54178","CuKα","","0.0774","0.0556","","","0.1529","0.1803","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001083","7.1145","0.0004","25.8569","0.0015","43.551","0.003","90","","90","","90","","8011.6","0.9","295","2","295","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C17 H9 F6 In O5 -","- C17 H9 F6 In O5 -","- C272 H144 F96 In16 O80 -","16","0.5","","Gándara, F.; Gomez-Lor, B.; Gutiérrez-Puebla, E.; Iglesias, M.; Monge, M. A.; Proserpio, D. M.; Snejko, N.","An Indium Layered MOF as Recyclable Lewis Acid Catalyst","Chemistry of Materials","2008","20","1","72","","10.1021/cm071079a","","","0.71073","MoKα","","0.0849","0.072","","","0.1435","0.1478","","","","","","1.421","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001084","7.1213","0.0005","25.8933","0.0017","43.629","0.003","90","","90","","90","","8044.9","1","295","2","295","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C20 H9 F6 In O5 -","- C20 H9 F6 In O5 -","- C320 H144 F96 In16 O80 -","16","0.5","","Gándara, F.; Gomez-Lor, B.; Gutiérrez-Puebla, E.; Iglesias, M.; Monge, M. A.; Proserpio, D. M.; Snejko, N.","An Indium Layered MOF as Recyclable Lewis Acid Catalyst","Chemistry of Materials","2008","20","1","72","","10.1021/cm071079a","","","0.71073","MoKα","","0.0864","0.0643","","","0.1076","0.1135","","","","","","1.264","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001085","5.84039","0.0001","5.84039","","6.06707","0.00017","90","","90","","120","","179.223","0.006","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Mo O8 W Zr -","- Mo O8 W Zr -","- Mo O8 W Zr -","1","0.0833333","","Deng, Xuebin; Tao, Juzhou; Yang, Xiaojing; Ma, Hui; Richardson, James W.; Zhao, Xinhua","Novel Trigonal ZrWMoO8Structure and Its Transformations","Chemistry of Materials","2008","20","5","1733","","10.1021/cm071605y","powder diffraction","x-ray","1.54187","CuKα","","","","","","","","0.08807","","2.98","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001086","9.87224","0.00008","9.87224","","17.54547","0.00024","90","","90","","120","","1480.9","0.02","","","","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Mo O8 W Zr -","- Mo O8 W Zr -","- Mo9 O72 W9 Zr9 -","9","0.5","","Deng, Xuebin; Tao, Juzhou; Yang, Xiaojing; Ma, Hui; Richardson, James W.; Zhao, Xinhua","Novel Trigonal ZrWMoO8Structure and Its Transformations","Chemistry of Materials","2008","20","5","1733","","10.1021/cm071605y","powder diffraction","neutron","","","","","","","","","","0.03225","","1.28","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001087","13.3098","0.0004","13.3098","0.0004","27.436","0.0018","90","","90","","120","","4209.2","0.3","299","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","TAF24-IMI","","","- C24 H40 F24 N16 O12 Ta8 -","- C18 H30 F24 N12 O12 Ta8 -","- C54 H90 F72 N36 O36 Ta24 -","3","0.166667","","Alam, Todd M.; Clawson, Jacalyn S.; Bonhomme, François; Thoma, Steven G.; Rodriguez, Mark A.; Zheng, Shaohui; Autschbach, Jochen","A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters","Chemistry of Materials","2008","20","6","2205","","10.1021/cm0717763","","","0.71073","MoKα","","0.0319","0.0297","","","0.0601","0.0612","","","","","","1.23","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001088","9.0476","0.0012","15.897","0.002","10.823","0.0015","90","","92.327","0.002","90","","1555.4","0.4","168","2","168","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","TAF16-PYR","","","- C20 H24 F16 N4 O4 Ta4 -","- C10 H12 F16 N2 O4 Ta4 -","- C20 H24 F32 N4 O8 Ta8 -","2","0.25","","Alam, Todd M.; Clawson, Jacalyn S.; Bonhomme, François; Thoma, Steven G.; Rodriguez, Mark A.; Zheng, Shaohui; Autschbach, Jochen","A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters","Chemistry of Materials","2008","20","6","2205","","10.1021/cm0717763","","","0.71073","MoKα","","0.0398","0.0386","","","0.0897","0.0902","","","","","","1.24","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001089","9.257","0.004","15.918","0.006","10.923","0.004","90","","92.915","0.007","90","","1607.5","1.1","298","2","298","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","TAF16-PYR - RT","","","- C20 H24 F16 N4 O4 Ta4 -","- C10 H12 F16 N2 O4 Ta4 -","- C20 H24 F32 N4 O8 Ta8 -","2","0.25","","Alam, Todd M.; Clawson, Jacalyn S.; Bonhomme, François; Thoma, Steven G.; Rodriguez, Mark A.; Zheng, Shaohui; Autschbach, Jochen","A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters","Chemistry of Materials","2008","20","6","2205","","10.1021/cm0717763","","","0.71073","MoKα","","0.0311","0.026","","","0.0631","0.0647","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001090","7.4573","0.0002","18.0966","0.0005","14.0233","0.0004","90","","99.254","0.001","90","","1867.84","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Zeolite STF- template removed using SQUEEZE","","","- F O32 Si16 -","- F O32 Si16 -","- F2 O64 Si32 -","2","0.5","","Wragg, David S.; Morris, Russell E.; Burton, Allen W.","Pure Silica Zeolite-type Frameworks: A Structural Analysis","Chemistry of Materials","2008","20","4","1561","","10.1021/cm071824j","","","0.6892","","","0.0768","0.0607","","","0.1454","0.1508","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001091","7.5018","0.0007","12.116","0.0012","26.764","0.002","90","","97.467","0.002","90","","2412","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C0.63 H0.38 N0.13 O0.06 -","- C2.5 H1.5 N0.5 O0.25 -","- C120 H72 N24 O12 -","48","12","","Zafiropoulos, Nicholas A.; Choi, E-Joon; Dingemans, Theo; Lin, Wenbin; Samulski, Edward T.","New All-Aromatic Liquid Crystal Architectures","Chemistry of Materials","2008","20","12","3821","","10.1021/cm701862w","","","0.71073","MoKα","","0.0901","0.0515","","","0.1223","0.1384","","","","","","0.994","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001092","3.83","0.001","11.069","0.002","7.157","0.001","90","","90","","90","","303.42","0.11","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C Gd Ru2 Si -","- C Gd Ru2 Si -","- C4 Gd4 Ru8 Si4 -","4","0.25","","Fickenscher, Thomas; Rayaprol, Sudhindra; Appen, Jörg von; Dronskowski, Richard; Pöttgen, Rainer; Łat̀ka, Kazimierz; Gurgul, Jacek","Crystal Structure, Chemical Bonding, and Magnetic Hyperfine Interactions in GdRu2SiC","Chemistry of Materials","2008","20","4","1381","","10.1021/cm7020406","","","0.71073","MoKα","","0.0242","0.0179","","","0.0346","0.0363","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001093","3.9595","0.0001","3.9595","0.0001","19.2227","0.0003","90","","90","","90","","301.367","0.012","240","2","240","2","","","","","","","synthesis as described","6","P 4/n m m :2","-P 4a 2a","129","Barium strontium manganese copper oxide sulfide","Barium strontium manganese copper oxide sulfide","","- Ba2.64 Cu1.96 Mn4 O8 S2 Sr1.36 -","- Ba2.64 Cu1.956 Mn4 O8 S2 Sr1.36 -","- Ba2.64 Cu1.956 Mn4 O8 S2 Sr1.36 -","1","0.0625","","Hyett, Geoffrey; Gál, Zoltán A.; Smura, Catherine F.; Clarke, Simon J.","Ba2Mn2O4Cu0.9S: A layered Oxysulfide with a New Perovskite-Related Manganese Oxide Fragment","Chemistry of Materials","2008","20","2","559","","10.1021/cm7021054","","x-ray","0.71073","MoKα","","0.0214","0.0207","","","0.0517","0.052","","","","","","1.26","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001094","15.141","0.002","15.141","0.002","9.3313","0.0019","90","","90","","120","","1852.6","0.5","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C3 H31 Co8 O34 P9 -","- C3 H15 Co8 O34.02 P9 -","- C6 H30 Co16 O68.04 P18 -","2","0.166667","","Zhao, Lang; Li, Jiyang; Chen, Peng; Li, Guanghua; Yu, Jihong; Xu, Ruren","2H3O·[Co8(HPO3)9(CH3OH)3]·2H2O: An Open-Framework Cobalt Phosphite Containing Extra-Large 18-Ring Channels","Chemistry of Materials","2008","20","1","17","","10.1021/cm7021906","","","0.71073","MoKα","","0.0637","0.056","","","0.1546","0.1602","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001095","34.39","0.0003","9.982","0.0002","19.165","0.0007","90","","104.996","0.001","90","","6354.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H60 Fe N6 O2 -","- C81 H60 Fe N6 O2 -","- C324 H240 Fe4 N24 O8 -","4","1","","Chiang, Chao Cheng; Chen, Hong-Chun; Lee, Chin-sheng; Leung, Man-kit; Lin, Kun-Rung; Hsieh, Kuo-Huang","Electrochemical Deposition of Bis(N,N′-diphenylaminoaryl) Substituted Ferrocenes, and Their Application as a Hole-Injection Layer on Polymeric Light-Emitting Diodes","Chemistry of Materials","2008","20","2","540","","10.1021/cm702217u","","","0.71073","MoKα","","0.1344","0.0631","","0.1963","0.1485","","","","1.046","1.11","1.11","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001096","7.326","0.0001","27.768","0.0003","11.572","0.0001","90","","100.063","0.001","90","","2317.86","0.05","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Br2 Fe N4 O2 -","- C26 H16 Br2 Fe N4 O2 -","- C104 H64 Br8 Fe4 N16 O8 -","4","1","","Chiang, Chao Cheng; Chen, Hong-Chun; Lee, Chin-sheng; Leung, Man-kit; Lin, Kun-Rung; Hsieh, Kuo-Huang","Electrochemical Deposition of Bis(N,N′-diphenylaminoaryl) Substituted Ferrocenes, and Their Application as a Hole-Injection Layer on Polymeric Light-Emitting Diodes","Chemistry of Materials","2008","20","2","540","","10.1021/cm702217u","","","0.71073","MoKα","","0.062","0.0389","","0.1419","0.1142","","","","0.975","0.925","0.925","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001097","7.9522","0.0016","10.827","0.002","14.369","0.003","109.02","0.03","91.8","0.03","103.57","0.03","1129.1","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 Fe N -","- C30 H25 Fe N -","- C60 H50 Fe2 N2 -","2","1","","Chiang, Chao Cheng; Chen, Hong-Chun; Lee, Chin-sheng; Leung, Man-kit; Lin, Kun-Rung; Hsieh, Kuo-Huang","Electrochemical Deposition of Bis(N,N′-diphenylaminoaryl) Substituted Ferrocenes, and Their Application as a Hole-Injection Layer on Polymeric Light-Emitting Diodes","Chemistry of Materials","2008","20","2","540","","10.1021/cm702217u","","","0.71073","MoKα","","0.14","0.0562","","","0.1081","0.1384","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001098","12.991","0.003","18.174","0.004","21.696","0.004","67.58","0.03","88.4","0.03","89.16","0.03","4733","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Al2 Ba O8 -","- C48 H64 Al2 Ba O8 -","- C192 H256 Al8 Ba4 O32 -","4","2","","John, Łukasz; Utko, Józef; Szafert, Sławomir; Jerzykiewicz, Lucjan B.; Kȩpiński, Leszek; Sobota, Piotr","Synthesis and Characterization of Mixed-Metal Aryloxo-Organometallic Precursors for Oxide‒Ceramic Materials","Chemistry of Materials","2008","20","13","4231","4239","10.1021/cm702262n","","","0.71073","MoKα","","0.0488","0.0334","","","0.0777","0.0868","","","","","","1.036","","","","has coordinates","218801","2020-10-21","18:00:00",""
"4001099","12.474","0.005","17.861","0.005","20.432","0.005","90","0.05","103.26","0.05","90","0.05","4431","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Ba Ga2 O8 -","- C44 H56 Ba Ga2 O8 -","- C176 H224 Ba4 Ga8 O32 -","4","0.5","","John, Łukasz; Utko, Józef; Szafert, Sławomir; Jerzykiewicz, Lucjan B.; Kȩpiński, Leszek; Sobota, Piotr","Synthesis and Characterization of Mixed-Metal Aryloxo-Organometallic Precursors for Oxide‒Ceramic Materials","Chemistry of Materials","2008","20","13","4231","4239","10.1021/cm702262n","","","0.71073","MoKα","","0.0229","0.0186","","","0.046","0.0473","","","","","","1.058","","","","has coordinates,has disorder","218801","2020-10-21","18:00:00",""
"4001100","10.508","0.005","11.444","0.005","19.927","0.005","89.19","0.04","82.22","0.05","70.33","0.05","2234.4","1.7","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 Ba O8 Zn2 -","- C44 H54 Ba O8 Zn2 -","- C88 H108 Ba2 O16 Zn4 -","2","1","","John, Łukasz; Utko, Józef; Szafert, Sławomir; Jerzykiewicz, Lucjan B.; Kȩpiński, Leszek; Sobota, Piotr","Synthesis and Characterization of Mixed-Metal Aryloxo-Organometallic Precursors for Oxide‒Ceramic Materials","Chemistry of Materials","2008","20","13","4231","4239","10.1021/cm702262n","","","0.71073","MoKα","","0.0365","0.0288","","","0.0685","0.0708","","","","","","1.065","","","","has coordinates","218801","2020-10-21","18:00:00",""
"4001101","7.6492","0.0003","5.258","0.0002","9.0485","0.0003","90","","101.742","0.002","90","","356.31","0.02","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- H2 K O9 S2 Ti -","- H2 K O9 S2 Ti -","- H4 K2 O18 S4 Ti2 -","2","0.5","","Nilsen, G. J.; Rønnow, H. M.; Läuchli, A. M.; Fabbiani, F. P. A.; Sanchez-Benitez, J.; Kamenev, K. V.; Harrison, A.","A New Realisation of theS= 1/2 Frustrated Chain Antiferromagnet","Chemistry of Materials","2008","20","1","8","","10.1021/cm7023263","","","0.71073","MoKα","","0.0353","0.0334","","0.0978","0.0947","0.0978","","","","","","1.0474","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001102","18.8","0.003","18.8","0.003","14.147","0.003","90","","90","","120","","4330.2","1.3","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C27 H100.5 F4.5 Ge21 N15 Ni2 O51.5 -","- C27 H60 F4.758 Ge21 N15 Ni2 O51.798 -","- C54 H120 F9.516 Ge42 N30 Ni4 O103.596 -","2","0.166667","","Pan, Qinhe; Li, Jiyang; Ren, Xiaoyan; Wang, Zhuopeng; Li, Guanghua; Yu, Jihong; Xu, Ruren","[Ni(1,2-PDA)3]2(HOCH2CH2CH2NH3)3(H3O)2[Ge7O14X3]3(X= F, OH): A New 1D Germanate with 12-Ring Hexagonal Tubular Channels","Chemistry of Materials","2008","20","2","370","","10.1021/cm702439v","","","0.71073","MoKα","","0.058","0.0459","","","0.1167","0.1228","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001103","5.738938","0.000032","5.738938","","23.64154","0.00015","90","","90","","120","","674.325","0.006","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba5 In0.94 Mn4 O14.42 -","- Ba5 In0.94399 Mn4 O14.416 -","- Ba10 In1.88798 Mn8 O28.832 -","2","0.0833333","","Yin, Congling; Li, Guobao; Jin, Tounan; You, Liping; Tao, Julian; Richardson, James W.; Loong, Chun-K.; Sun, Junliang; Liao, Fuhui; Lin, Jianhua","Synthesis, Structure, and Characterization of the Hexagonal Provskite Ba5In0.93Mn4O14.40","Chemistry of Materials","2008","20","6","2110","","10.1021/cm7025152","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001104","4.429","0.0006","4.429","0.0006","28.36","0.006","90","","90","","120","","481.78","0.14","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","tin phosphide","","","- P4.04 Sn3 -","- P4.04 Sn3 -","- P12.12 Sn9 -","3","0.0833333","","Zaikina, Julia V.; Kovnir, Kirill A.; Sobolev, Alexey N.; Presniakov, Igor A.; Kytin, Vladimir G.; Kulbachinskii, Vladimir A.; Olenev, Andrei V.; Lebedev, Oleg I.; Tendeloo, Gustaaf Van; Dikarev, Evgeny V.; Shevelkov, Andrei V.","Highly Disordered Crystal Structure and Thermoelectric Properties of Sn3P4","Chemistry of Materials","2008","20","7","2476","","10.1021/cm702655g","","","0.71073","MoKα","","0.0239","0.0226","","","0.057","0.0577","","","","","","1.168","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001105","9.1657","0.0004","10.0618","0.0004","10.7584","0.0004","73.668","0.001","65.366","0.001","65.916","0.001","815.95","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H17 F3 N3 O12 P3 U2 -","- C4 H16 F3 N3 O12 P3 U2 -","- C8 H32 F6 N6 O24 P6 U4 -","2","1","","Lai, Yu-Lun; Chiang, Ray-Kuang; Lii, Kwang-Hwa; Wang, Sue-Lein","The First Organically Templated Tetravalent Uranium Phosphates with Dimer-Structured Topologies","Chemistry of Materials","2008","20","2","523","","10.1021/cm7027959","","","0.71073","MoKα","","0.0281","0.0247","","","0.0528","0.0542","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001106","11.1124","0.0004","19.683","0.0008","10.1466","0.0004","90","","114.362","0.001","90","","2021.71","0.14","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H23 F4 N4 O12 P3 U2 -","- C6 H18 F4 N3.99 O12 P3 U2 -","- C24 H72 F16 N15.96 O48 P12 U8 -","4","1","","Lai, Yu-Lun; Chiang, Ray-Kuang; Lii, Kwang-Hwa; Wang, Sue-Lein","The First Organically Templated Tetravalent Uranium Phosphates with Dimer-Structured Topologies","Chemistry of Materials","2008","20","2","523","","10.1021/cm7027959","","","0.71073","MoKα","","0.0328","0.0271","","","0.0606","0.0629","","","","","","0.918","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001107","18.3826","0.0013","7.8448","0.0006","18.4421","0.0013","90","","113.967","0.001","90","","2430.2","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H34 F10 N6 O8 P2 U2 -","- C8 H2 F10 N6 O8 P2 U2 -","- C32 H8 F40 N24 O32 P8 U8 -","4","1","","Lai, Yu-Lun; Chiang, Ray-Kuang; Lii, Kwang-Hwa; Wang, Sue-Lein","The First Organically Templated Tetravalent Uranium Phosphates with Dimer-Structured Topologies","Chemistry of Materials","2008","20","2","523","","10.1021/cm7027959","","","0.71073","MoKα","","0.0425","0.0288","","","0.0635","0.0666","","","","","","0.84","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001108","10.2346","0.0009","23.846","0.002","8.8091","0.0008","90","","93.459","0.002","90","","2146","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 F7 N4 O4 P U -","- C12 H14 F7 N4 O4 P U -","- C48 H56 F28 N16 O16 P4 U4 -","4","1","","Lai, Yu-Lun; Chiang, Ray-Kuang; Lii, Kwang-Hwa; Wang, Sue-Lein","The First Organically Templated Tetravalent Uranium Phosphates with Dimer-Structured Topologies","Chemistry of Materials","2008","20","2","523","","10.1021/cm7027959","","","0.71073","MoKα","","0.0751","0.0382","","","0.0917","0.1012","","","","","","0.901","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001109","12.3784","0.0016","5.9718","0.0008","15.209","0.002","90","","91.924","0.002","90","","1123.6","0.3","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Cu3 N12 O12 V4 -","- C10 H6 Cu3 N12 O12 V4 -","- C20 H12 Cu6 N24 O24 V8 -","2","0.5","","Li, Jian-Rong; Yu, Qun; Sañudo, E. Carolina; Tao, Ying; Song, Wei-Chao; Bu, Xian-He","Three-Dimensional Homospin Inorganic‒Organic Ferrimagnet Constructed from (VO3‒)nChains Linking {[5-(Pyrimidin-2-yl)tetrazolato-(CuII)1.5]2+}nLayers","Chemistry of Materials","2008","20","4","1218","","10.1021/cm702938q","","","0.71073","MoKα","","0.0248","0.0207","","","0.0534","0.0556","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001110","11.278","0.002","5.033","0.0011","14.307","0.003","90","","92.006","0.004","90","","811.6","0.3","100","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H10 S4 -","- C22 H10 S4 -","- C44 H20 S8 -","2","0.5","","Brusso, Jaclyn L.; Hirst, Oliver D.; Dadvand, Afshin; Ganesan, Srinivasan; Cicoira, Fabio; Robertson, Craig M.; Oakley, Richard T.; Rosei, Federico; Perepichka, Dmitrii F.","Two-Dimensional Structural Motif in Thienoacene Semiconductors: Synthesis, Structure, and Properties of Tetrathienoanthracene Isomers","Chemistry of Materials","2008","20","7","2484","","10.1021/cm7030653","","","0.71073","MoKα","","0.059","0.0464","","","0.1103","0.1186","","","","","","1.065","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001111","12.3815","0.0014","5.257","0.0006","12.7975","0.0015","90","","97.753","0.002","90","","825.37","0.16","100","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H10 S4 -","- C22 H10 S4 -","- C44 H20 S8 -","2","0.5","","Brusso, Jaclyn L.; Hirst, Oliver D.; Dadvand, Afshin; Ganesan, Srinivasan; Cicoira, Fabio; Robertson, Craig M.; Oakley, Richard T.; Rosei, Federico; Perepichka, Dmitrii F.","Two-Dimensional Structural Motif in Thienoacene Semiconductors: Synthesis, Structure, and Properties of Tetrathienoanthracene Isomers","Chemistry of Materials","2008","20","7","2484","","10.1021/cm7030653","","","0.71073","MoKα","","0.0612","0.0553","","","0.1349","0.1392","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001112","6.951343","0.000033","6.951343","","10.76111","0.00006","90","","90","","90","","519.989","0.004","","","","","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- O5 Si Sr3 -","- O5 Si Sr3 -","- O20 Si4 Sr12 -","4","0.25","","Porras-Vázquez, José M.; Losilla, Enrique R.; León-Reina, Laura; Martínez-Lara, María; Aranda, Miguel A. G.","Synthesis and Characterization of a New Family of Mixed Oxide−Proton Conductors Based on Tristrontium Oxysilicate","Chemistry of Materials","2008","20","5","2026","","10.1021/cm703079d","powder diffraction","","","","","","","","","","","","","2.27","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001113","6.9427","0.00014","6.9427","","10.79916","0.00025","90","","90","","90","","520.531","0.016","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Al0.04 O4.98 Si0.96 Sr3 -","- Al0.038 O4.981 Si0.962 Sr3 -","- Al0.152 O19.924 Si3.848 Sr12 -","4","0.25","","Porras-Vázquez, José M.; Losilla, Enrique R.; León-Reina, Laura; Martínez-Lara, María; Aranda, Miguel A. G.","Synthesis and Characterization of a New Family of Mixed Oxide−Proton Conductors Based on Tristrontium Oxysilicate","Chemistry of Materials","2008","20","5","2026","","10.1021/cm703079d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001114","5.2355","0.0003","12.7396","0.0008","19.1626","0.0011","90","","91.17","0.001","90","","1277.84","0.13","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Gd3 Li3 Mo8 O32 Yb0 -","- Ba2 Gd2.9 Li2.86 Mo8 O32 Yb0.24 -","- Ba4 Gd5.8 Li5.72 Mo16 O64 Yb0.48 -","2","0.25","","García-Cortés, Alberto; Cascales, Concepción","Crystal Growth and Optical and Spectroscopic Characterization of the Ytterbium-Doped Laser Molybdate Yb−Li3Gd3Ba2(MoO4)8","Chemistry of Materials","2008","20","12","3884","","10.1021/cm703138x","","","0.71073","MoKα","","0.0524","0.0446","","","0.1069","0.1127","","","","","","1.21","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001115","8.61468","0.00016","8.61468","","3.81019","0.00016","90","","90","","90","","282.765","0.013","293","2","","","","","","","","","","3","P 4/m","-P 4","83","","","","- Mn5 O13 Sr5 -","- Mn5 O13 Sr5 -","- Mn5 O13 Sr5 -","1","0.125","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001116","8.6209","0.0005","12.1263","0.0004","3.8091","0.00017","90","","90","","98.1793","0.0029","394.15","0.03","298","2","","","","","","","","","","3","P 1 1 2/m","-P 2","10","","","","- Mn7 O19.62 Sr7 -","- Mn7 O19.619 Sr7 -","- Mn7 O19.619 Sr7 -","1","0.25","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001117","8.60611","0.00011","8.60611","","3.83812","0.00007","90","","90","","90","","284.271","0.006","293","2","","","","","","","","","","4","P 4/m","-P 4","83","","","","- La0.5 Mn5 O13.7 Sr4.5 -","- La0.5 Mn5 O13.698 Sr4.5 -","- La0.5 Mn5 O13.698 Sr4.5 -","1","0.125","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001118","3.843","0.0005","3.843","","3.843","","90","","90","","90","","56.756","0.007","293","2","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- La0.2 Mn O2.86 Sr0.8 -","- La0.2 Mn O2.8581 Sr0.8 -","- La0.2 Mn O2.8581 Sr0.8 -","1","0.0208333","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001119","8.681","0.0018","8.681","","3.8585","0.0008","90","","90","","90","","290.78","0.09","773","5","","","","","","","","","","4","P 4/m","-P 4","83","","","","- La0.5 Mn5 O13 Sr4.5 -","- La0.5 Mn5 O13 Sr4.5 -","- La0.5 Mn5 O13 Sr4.5 -","1","0.125","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001120","5.5786","0.0016","10.9046","0.0032","3.8684","0.0011","90","","90","","90","","235.32","0.12","773","5","","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- La0.4 Mn4 O10.2 Sr3.6 -","- La0.4 Mn4 O10.2 Sr3.6 -","- La0.4 Mn4 O10.2 Sr3.6 -","1","0.125","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001121","5.5902","0.001","10.8814","0.0019","3.8793","0.0007","90","","90","","90","","235.97","0.07","773","5","","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- La0.2 Mn2 O5 Sr1.8 -","- La0.2 Mn2 O5 Sr1.8 -","- La0.4 Mn4 O10 Sr3.6 -","2","0.25","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001122","5.60595","0.00012","10.92454","0.00025","3.88944","0.00011","90","","90","","90","","238.199","0.01","973","5","","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- La0.2 Mn4 O5 Sr1.8 -","- La0.2 Mn2 O5 Sr1.8 -","- La0.4 Mn4 O10 Sr3.6 -","2","0.25","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001123","3.93138","0.00004","3.93138","","3.93138","","90","","90","","90","","60.7624","0.0006","1173","5","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- La0.1 Mn O2.5 Sr0.9 -","- La0.1 Mn O2.49999 Sr0.9 -","- La0.1 Mn O2.49999 Sr0.9 -","1","0.0208333","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001124","8.73091","0.00028","8.73091","","7.70497","0.00028","90","","90","","90","","587.34","0.03","773","5","","","","","","","","","","4","P 42/m","-P 4c","84","","","","- La Mn5 O13 Sr4 -","- La3.4 Mn5 O13 Sr1.6 -","- La6.8 Mn10 O26 Sr3.2 -","2","0.25","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","1.24","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001125","3.91357","0.00008","3.91357","","3.91357","","90","","90","","90","","59.9404","0.0012","1073","5","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- La0.2 Mn O2.58 Sr0.8 -","- La0.2 Mn O2.58 Sr0.8 -","- La0.2 Mn O2.58 Sr0.8 -","1","0.0208333","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001126","5.5674","0.0021","10.798","0.004","3.8903","0.0014","90","","90","","90","","233.87","0.15","573","5","","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- La0.4 Mn2 O5 Sr1.6 -","- La0.4 Mn2 O5 Sr1.6 -","- La0.8 Mn4 O10 Sr3.2 -","2","0.25","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001127","8.7206","0.0032","8.7206","","7.7289","0.0028","90","","90","","90","","587.8","0.3","573","5","","","","","","","","","","4","P 42/m","-P 4c","84","","","","- La Mn5 O13 Sr4 -","- La Mn5 O13 Sr4 -","- La2 Mn10 O26 Sr8 -","2","0.25","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001128","19.785","0.003","7.2793","0.0009","9.9663","0.0013","90","","90","","90","","1435.4","0.3","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Co3 H10 Na2 O18 S3 -","- Co3 H10 Na2 O18 S3 -","- Co12 H40 Na8 O72 S12 -","4","0.5","","Zhang, Xian-Ming; Li, Cui-Rui; Zhang, Xu-Hui; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unusual Slow Magnetic Relaxation in Helical Co3(OH)2Ferrimagnetic Chain Based Cobalt Hydroxysulfates","Chemistry of Materials","2008","20","6","2298","","10.1021/cm7032542","","","0.71073","MoKα","","0.03","0.0281","","","0.0692","0.0705","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001129","18.25","0.004","7.5988","0.0016","9.813","0.002","90","","90","","90","","1360.8","0.5","298","2","298","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Co3 H12 O18 S3 -","- Co3 H12 O18 S3 -","- Co12 H48 O72 S12 -","4","0.5","","Zhang, Xian-Ming; Li, Cui-Rui; Zhang, Xu-Hui; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unusual Slow Magnetic Relaxation in Helical Co3(OH)2Ferrimagnetic Chain Based Cobalt Hydroxysulfates","Chemistry of Materials","2008","20","6","2298","","10.1021/cm7032542","","","0.71073","MoKα","","0.0292","0.0266","","","0.0609","0.062","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001130","7.179","0.002","14.634","0.005","22.134","0.007","90","","91.121","0.014","90","","2324.9","1.3","296.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Co3 N24 O6 W2 -","- C32 H16 Co3 N24 O6 W2 -","- C64 H32 Co6 N48 O12 W4 -","2","0.5","","Ohkoshi, Shin-ichi; Hamada, Yoshiho; Matsuda, Tomoyuki; Tsunobuchi, Yoshihide; Tokoro, Hiroko","Crystal Structure, Charge-Transfer-Induced Spin Transition, and Photoreversible Magnetism in a Cyano-Bridged Cobalt−Tungstate Bimetallic Assembly","Chemistry of Materials","2008","20","9","3048","","10.1021/cm703258n","","","0.71075","MoKα","","","0.0976","","","","0.2241","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001131","4.7402","0.0003","11.6558","0.0007","12.7944","0.0007","72.455","0.005","85.757","0.005","84.292","0.005","669.95","0.07","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H14 F12 N2 O4 -","- C32 H14 F12 N2 O4 -","- C32 H14 F12 N2 O4 -","1","0.5","","See, Kevin C.; Landis, Chad; Sarjeant, Amy; Katz, Howard E.","Easily Synthesized Naphthalene Tetracarboxylic Diimide Semiconductors with High Electron Mobility in Air","Chemistry of Materials","2008","20","11","3609","","10.1021/cm7032614","","","0.71073","MoKα","","0.0779","0.0418","","","0.0899","0.0971","","","","","","1.003","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001132","10.521","0.002","10.521","0.002","10.521","0.002","90","","90","","90","","1164.6","0.4","293","1","293","1","","","","","","","see text","7","F -4 3 m","F -4 2 3","216","","","","- C6 H2 Fe Mn N6 O Rb -","- C6 Fe Mn N6 O1.001 Rb1.001 -","- C24 Fe4 Mn4 N24 O4.004 Rb4.004 -","4","0.0416667","","Vertelman, Esther J. M.; Lummen, Tom T. A.; Meetsma, Auke; Bouwkamp, Marco W.; Molnar, Gabor; van Loosdrecht, Paul H. M.; van Koningsbruggen, Petra J.","Light- and Temperature-Induced Electron Transfer in Single Crystals of RbMn[Fe(CN)6]·H2O","Chemistry of Materials","2008","20","4","1236","","10.1021/cm7032965","","","0.71073","MoKα","","0.0366","0.0348","","","0.0981","0.1004","","","","","","1.287","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001133","4.2022","0.0013","15.935","0.005","4.0247","0.0012","90","","90","","90","","269.5","0.14","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge0.98 Sn1.02 Tm -","- Ge0.98 Sn1.02 Tm -","- Ge3.92 Sn4.08 Tm4 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0175","0.0173","","","0.0418","0.0419","","","","","","1.374","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001134","3.997","0.0007","15.719","0.003","3.8604","0.0007","90","","90","","90","","242.54","0.08","120","2","120","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ge2 Tm -","- Ge2 Tm -","- Ge8 Tm4 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0191","0.0185","","","0.0415","0.0416","","","","","","1.253","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001135","4.3005","0.0009","16.441","0.004","4.0944","0.0009","90","","90","","90","","289.49","0.11","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Gd Ge0.83 Sn1.17 -","- Gd Ge0.831 Sn1.169 -","- Gd4 Ge3.324 Sn4.676 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0204","0.0195","","","0.0471","0.0476","","","","","","1.277","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001136","4.266","0.002","16.293","0.008","4.062","0.002","90","","90","","90","","282.3","0.2","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge0.89 Sn1.11 Tb -","- Ge0.887 Sn1.113 Tb -","- Ge3.548 Sn4.452 Tb4 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0272","0.0237","","","0.057","0.0589","","","","","","1.113","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001137","4.251","0.002","16.197","0.008","4.0584","0.0019","90","","90","","90","","279.4","0.2","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Dy Ge0.91 Sn1.09 -","- Dy Ge0.917 Sn1.083 -","- Dy4 Ge3.668 Sn4.332 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.026","0.0226","","","0.0513","0.0529","","","","","","1.128","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001138","4.2473","0.0018","16.127","0.007","4.0693","0.0017","90","","90","","90","","278.7","0.2","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge0.9 Ho Sn1.1 -","- Ge0.903 Ho Sn1.097 -","- Ge3.612 Ho4 Sn4.388 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.022","0.0159","","","0.0335","0.0367","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001139","4.209","0.003","16.006","0.01","4.029","0.003","90","","90","","90","","271.4","0.3","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Er Ge0.92 Sn1.08 -","- Er Ge0.921 Sn1.079 -","- Er4 Ge3.684 Sn4.316 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0259","0.0248","","","0.0548","0.0553","","","","","","1.159","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001140","4.2511","0.0014","16.296","0.005","4.0633","0.0013","90","","90","","90","","281.49","0.16","120","2","120","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ge0.86 Sn1.14 Y -","- Ge0.871 Sn1.129 Y -","- Ge3.484 Sn4.516 Y4 -","4","0.25","","Tobash, Paul H.; Meyers, John J.; DiFilippo, Gary; Bobev, Svilen; Ronning, Filip; Thompson, Joe D.; Sarrao, John L.","Structure and Properties of a New Family of Nearly Equiatomic Rare-Earth Metal-Tin-Germanides RESn1+xGe1−x(RE = Y, Gd−Tm): an Unusual Example of Site Preferences Between Elements from the Same Group","Chemistry of Materials","2008","20","6","2151","","10.1021/cm7033799","","","0.71073","MoKα","","0.0208","0.0204","","","0.0475","0.0478","","","","","","1.209","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001141","4.236","0.0003","4.236","","23.7609","0.0017","90","","90","","120","","369.24","0.04","90","","90","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Ge Sb4 Te7 -","- Ge Sb4 Te7 -","- Ge Sb4 Te7 -","1","0.0833333","","Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kifune, Kouichi; Kubota, Yoshiki; Takata, Masaki","Structural Features of Ge1Sb4Te7, an Intermetallic Compound in the GeTe-Sb2Te3Homologous Series","Chemistry of Materials","2008","20","18","5750","","10.1021/cm703484k","powder diffraction","","0.42986","synchrotron","","","","","","","","","0.005","4.86","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001142","3.948","0.002","11.007","0.006","27.36","0.01","90","","90.278","0.009","90","","1188.9","1","293.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 S4 -","- C32 H18 S4 -","- C64 H36 S8 -","2","0.5","","Ashizawa, Minoru; Yamada, Koichi; Fukaya, Atsuko; Kato, Reizo; Hara, Kouji; Takeya, Jun","Effect of Molecular Packing on Field-Effect Performance of Single Crystals of Thienyl-Substituted Pyrenes","Chemistry of Materials","2008","20","15","4883","","10.1021/cm703499q","","","0.7107","MoKα","","","0.1163","","","","0.3397","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001143","14.192","0.014","6.135","0.005","15.912","0.017","90","","116.158","0.016","90","","1244","2","293.1","","","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C32 H18 S4 -","- C32 H18 S3.82 -","- C64 H36 S7.64 -","2","0.5","","Ashizawa, Minoru; Yamada, Koichi; Fukaya, Atsuko; Kato, Reizo; Hara, Kouji; Takeya, Jun","Effect of Molecular Packing on Field-Effect Performance of Single Crystals of Thienyl-Substituted Pyrenes","Chemistry of Materials","2008","20","15","4883","","10.1021/cm703499q","","","0.7107","MoKα","","","0.1144","","","","0.2415","","","","","","1.26","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001144","11.971","0.004","3.944","0.001","35.7","0.01","90","","90.454","0.003","90","","1685.5","0.9","293.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C96 H56 S8 -","4","1","","Ashizawa, Minoru; Yamada, Koichi; Fukaya, Atsuko; Kato, Reizo; Hara, Kouji; Takeya, Jun","Effect of Molecular Packing on Field-Effect Performance of Single Crystals of Thienyl-Substituted Pyrenes","Chemistry of Materials","2008","20","15","4883","","10.1021/cm703499q","","","0.7107","MoKα","","","0.0861","","","","0.2644","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001145","7.88","0.01","11.44","0.02","18.11","0.03","90","","90","","90","","1633","4","293.1","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H14 S2 -","- C24 H14 S2 -","- C96 H56 S8 -","4","0.5","","Ashizawa, Minoru; Yamada, Koichi; Fukaya, Atsuko; Kato, Reizo; Hara, Kouji; Takeya, Jun","Effect of Molecular Packing on Field-Effect Performance of Single Crystals of Thienyl-Substituted Pyrenes","Chemistry of Materials","2008","20","15","4883","","10.1021/cm703499q","","","0.7107","MoKα","","","0.1199","","","","0.2969","","","","","","1.327","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001146","10.5791","0.0009","11.0987","0.0013","14.1662","0.0012","71.53","0.004","75.669","0.003","84.702","0.005","1528.4","0.3","118","","","","","","","","","","","7","P -1","-P 1","2","","","","- C19 H19 Cu Dy F12 N4 O9 -","- C19 H19 Cu Dy F12 N4 O9 -","- C38 H38 Cu2 Dy2 F24 N8 O18 -","2","1","","Okazawa, Atsushi; Nogami, Takashi; Nojiri, Hiroyuki; Ishida, Takayuki","Exchange Coupling and Energy-Level Crossing in a Magnetic Chain [Dy2Cu2]nEvaluated by High-Frequency Electron Paramagnetic Resonance","Chemistry of Materials","2008","20","9","3110","","10.1021/cm703530n","","","0.71069","MoKα","","","0.0615","","","","0.0889","","","","","","1.172","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001147","19.371","0.005","22.47","0.005","24.009","0.005","90","","107.886","0.005","90","","9945","4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H146 Cl2 Fe4 O20 -","- C90 H134 Cl2 Fe4 O20 -","- C360 H536 Cl8 Fe16 O80 -","4","0.5","","Condorelli, Guglielmo G.; Motta, Alessandro; Pellegrino, Giovanna; Cornia, Andrea; Gorini, Lapo; Fragalà, Ignazio L.; Sangregorio, Claudio; Sorace, Lorenzo","Site-Specific Anchoring of Tetrairon(III) Single Molecule Magnets on Functionalized Si(100) Surfaces","Chemistry of Materials","2008","20","6","2405","","10.1021/cm703561c","","","0.71069","MoKα","","0.1276","0.0769","","","0.2036","0.2328","","","","","","1.001","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001148","16.5899","0.0003","16.5899","0.0003","21.909","0.0009","90","","90","","90","","6029.9","0.3","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn0.78 Sb11 Yb14 Zn0.22 -","- Mn0.78 Sb11 Yb14 Zn0.22 -","- Mn6.24 Sb88 Yb112 Zn1.76 -","8","0.25","","Brown, Shawna R.; Toberer, Eric S.; Ikeda, Teruyuki; Cox, Catherine A.; Gascoin, Franck; Kauzlarich, Susan M.; Snyder, G. Jeffrey","Improved Thermoelectric Performance in Yb14Mn1−xZnxSb11by the Reduction of Spin-Disorder Scattering","Chemistry of Materials","2008","20","10","3412","","10.1021/cm703616q","","","0.71073","MoKα","","0.0344","0.0259","","","0.0638","0.0666","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001149","16.5883","0.0007","16.5883","0.0007","21.9115","0.0017","90","","90","","90","","6029.4","0.6","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn0.77 Sb11 Yb14 Zn0.23 -","- Mn0.77 Sb11 Yb14 Zn0.23 -","- Mn6.16 Sb88 Yb112 Zn1.84 -","8","0.25","","Brown, Shawna R.; Toberer, Eric S.; Ikeda, Teruyuki; Cox, Catherine A.; Gascoin, Franck; Kauzlarich, Susan M.; Snyder, G. Jeffrey","Improved Thermoelectric Performance in Yb14Mn1−xZnxSb11by the Reduction of Spin-Disorder Scattering","Chemistry of Materials","2008","20","10","3412","","10.1021/cm703616q","","","0.71073","MoKα","","0.0315","0.0229","","","0.0556","0.0585","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001150","16.5776","0.0007","16.5776","0.0007","21.8888","0.0019","90","","90","","90","","6015.4","0.6","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn0.67 Sb11 Yb14 Zn0.33 -","- Mn0.67 Sb11 Yb14 Zn0.33 -","- Mn5.36 Sb88 Yb112 Zn2.64 -","8","0.25","","Brown, Shawna R.; Toberer, Eric S.; Ikeda, Teruyuki; Cox, Catherine A.; Gascoin, Franck; Kauzlarich, Susan M.; Snyder, G. Jeffrey","Improved Thermoelectric Performance in Yb14Mn1−xZnxSb11by the Reduction of Spin-Disorder Scattering","Chemistry of Materials","2008","20","10","3412","","10.1021/cm703616q","","","0.71073","MoKα","","0.0296","0.0286","","","0.0729","0.0734","","","","","","1.151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001151","16.5893","0.0006","16.5893","0.0006","21.8917","0.0015","90","","90","","90","","6024.7","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn0.32 Sb11 Yb14 Zn0.68 -","- Mn0.32 Sb11 Yb14 Zn0.68 -","- Mn2.56 Sb88 Yb112 Zn5.44 -","8","0.25","","Brown, Shawna R.; Toberer, Eric S.; Ikeda, Teruyuki; Cox, Catherine A.; Gascoin, Franck; Kauzlarich, Susan M.; Snyder, G. Jeffrey","Improved Thermoelectric Performance in Yb14Mn1−xZnxSb11by the Reduction of Spin-Disorder Scattering","Chemistry of Materials","2008","20","10","3412","","10.1021/cm703616q","","","0.71073","MoKα","","0.0274","0.0262","","","0.0672","0.0677","","","","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001152","16.581","0.0006","16.581","0.0006","21.8748","0.0015","90","","90","","90","","6014","0.5","90","2","90","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Mn0.19 Sb11 Yb14 Zn0.81 -","- Mn0.19 Sb11 Yb14 Zn0.81 -","- Mn1.52 Sb88 Yb112 Zn6.48 -","8","0.25","","Brown, Shawna R.; Toberer, Eric S.; Ikeda, Teruyuki; Cox, Catherine A.; Gascoin, Franck; Kauzlarich, Susan M.; Snyder, G. Jeffrey","Improved Thermoelectric Performance in Yb14Mn1−xZnxSb11by the Reduction of Spin-Disorder Scattering","Chemistry of Materials","2008","20","10","3412","","10.1021/cm703616q","","","0.71073","MoKα","","0.0345","0.0246","","","0.0566","0.0602","","","","","","1.198","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001153","5.486","","5.486","","13.4539","","90","","90","","120","","350.663","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ce0.445 O3 Sr0.352 Ti -","- Ce0.448 O3 Sr0.352 Ti -","- Ce2.688 O18 Sr2.112 Ti6 -","6","0.166667","","Ubic, Rick; Subodh, Ganesanpotti; Sebastian, Mailadil T.; Gout, Delphine; Proffen, Thomas","Structure of Compounds in the Sr1‒3x/2CexTiO3Homologous Series","Chemistry of Materials","2008","20","9","3127","","10.1021/cm703659f","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001154","5.5005","","5.5005","","13.4797","","90","","90","","120","","353.196","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ce0.269 O3 Sr0.601 Ti -","- Ce0.269 O3 Sr0.601 Ti -","- Ce1.614 O18 Sr3.606 Ti6 -","6","0.166667","","Ubic, Rick; Subodh, Ganesanpotti; Sebastian, Mailadil T.; Gout, Delphine; Proffen, Thomas","Structure of Compounds in the Sr1‒3x/2CexTiO3Homologous Series","Chemistry of Materials","2008","20","9","3127","","10.1021/cm703659f","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001155","5.5062","","5.5062","","13.4989","","90","","90","","120","","354.432","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ce0.167 O3 Sr0.744 Ti -","- Ce0.167 O3 Sr0.744 Ti -","- Ce1.002 O18 Sr4.464 Ti6 -","6","0.166667","","Ubic, Rick; Subodh, Ganesanpotti; Sebastian, Mailadil T.; Gout, Delphine; Proffen, Thomas","Structure of Compounds in the Sr1‒3x/2CexTiO3Homologous Series","Chemistry of Materials","2008","20","9","3127","","10.1021/cm703659f","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001156","5.5091","","5.5091","","13.5071","","90","","90","","120","","355.021","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ce0.133 O3 Sr0.795 Ti -","- Ce0.132 O3 Sr0.795 Ti -","- Ce0.792 O18 Sr4.77 Ti6 -","6","0.166667","","Ubic, Rick; Subodh, Ganesanpotti; Sebastian, Mailadil T.; Gout, Delphine; Proffen, Thomas","Structure of Compounds in the Sr1‒3x/2CexTiO3Homologous Series","Chemistry of Materials","2008","20","9","3127","","10.1021/cm703659f","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001157","6.6764","0.0003","7.0684","0.0003","7.8103","0.0003","111.141","0.002","95.415","0.002","90.457","0.002","341.89","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H5 O7 P Pr -","- C H5 O7 P Pr -","- C2 H10 O14 P2 Pr2 -","2","1","","Wang, Chih-Min; Wu, Yi-Ying; Chang, Yu-Wei; Lii, Kwang-Hwa","Luminescent Lanthanide Oxalatophosphites with a 3D Framework Structure: [Ln(H2O)(C2O4)0.5(HPO3)]·H2O (Ln = Pr, Nd, and Sm−Lu)","Chemistry of Materials","2008","20","9","2857","","10.1021/cm703703n","","","0.71073","MoKα","","0.0242","0.021","","","0.0423","0.0432","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001158","6.6544","0.0002","7.038","0.0002","7.7938","0.0003","111.16","0.002","95.307","0.002","90.59","0.002","338.57","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H5 Nd O7 P -","- C H5 Nd O7 P -","- C2 H10 Nd2 O14 P2 -","2","1","","Wang, Chih-Min; Wu, Yi-Ying; Chang, Yu-Wei; Lii, Kwang-Hwa","Luminescent Lanthanide Oxalatophosphites with a 3D Framework Structure: [Ln(H2O)(C2O4)0.5(HPO3)]·H2O (Ln = Pr, Nd, and Sm−Lu)","Chemistry of Materials","2008","20","9","2857","","10.1021/cm703703n","","","0.71073","MoKα","","0.0248","0.0235","","","0.0618","0.0627","","","","","","1.093","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001159","6.5619","0.0002","6.9442","0.0003","7.7412","0.0004","111.369","0.003","95.495","0.002","90.824","0.002","326.52","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H5 Eu O7 P -","- C H5 Eu O7 P -","- C2 H10 Eu2 O14 P2 -","2","1","","Wang, Chih-Min; Wu, Yi-Ying; Chang, Yu-Wei; Lii, Kwang-Hwa","Luminescent Lanthanide Oxalatophosphites with a 3D Framework Structure: [Ln(H2O)(C2O4)0.5(HPO3)]·H2O (Ln = Pr, Nd, and Sm−Lu)","Chemistry of Materials","2008","20","9","2857","","10.1021/cm703703n","","","0.71073","MoKα","","0.038","0.0284","","","0.0454","0.0479","","","","","","1.022","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001160","6.5434","0.0002","6.9311","0.0002","7.7465","0.0003","111.487","0.001","95.645","0.002","90.833","0.002","324.839","0.019","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H5 Gd O7 P -","- C H5 Gd O7 P -","- C2 H10 Gd2 O14 P2 -","2","1","","Wang, Chih-Min; Wu, Yi-Ying; Chang, Yu-Wei; Lii, Kwang-Hwa","Luminescent Lanthanide Oxalatophosphites with a 3D Framework Structure: [Ln(H2O)(C2O4)0.5(HPO3)]·H2O (Ln = Pr, Nd, and Sm−Lu)","Chemistry of Materials","2008","20","9","2857","","10.1021/cm703703n","","","0.71073","MoKα","","0.0189","0.0179","","","0.0465","0.0471","","","","","","1.097","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001161","6.4628","0.0002","6.8519","0.0002","7.6936","0.0002","111.646","0.001","95.779","0.001","91.028","0.001","314.497","0.016","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H5 Ho O7 P -","- C H5 Ho O7 P -","- C2 H10 Ho2 O14 P2 -","2","1","","Wang, Chih-Min; Wu, Yi-Ying; Chang, Yu-Wei; Lii, Kwang-Hwa","Luminescent Lanthanide Oxalatophosphites with a 3D Framework Structure: [Ln(H2O)(C2O4)0.5(HPO3)]·H2O (Ln = Pr, Nd, and Sm−Lu)","Chemistry of Materials","2008","20","9","2857","","10.1021/cm703703n","","","0.71073","MoKα","","0.0204","0.0191","","","0.0467","0.0475","","","","","","1.096","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001162","6.44","0.0003","6.8326","0.0004","7.6747","0.0005","111.654","0.004","95.757","0.004","91.096","0.004","311.71","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H5 Er O7 P -","- C H5 Er O7 P -","- C2 H10 Er2 O14 P2 -","2","1","","Wang, Chih-Min; Wu, Yi-Ying; Chang, Yu-Wei; Lii, Kwang-Hwa","Luminescent Lanthanide Oxalatophosphites with a 3D Framework Structure: [Ln(H2O)(C2O4)0.5(HPO3)]·H2O (Ln = Pr, Nd, and Sm−Lu)","Chemistry of Materials","2008","20","9","2857","","10.1021/cm703703n","","","0.71073","MoKα","","0.0427","0.033","","","0.0591","0.0606","","","","","","1.047","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001163","6.4075","0.0005","6.805","0.0007","7.6647","0.0008","111.753","0.002","95.858","0.002","91.204","0.001","308.16","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C H5 O7 P Yb -","- C H5 O7 P Yb -","- C2 H10 O14 P2 Yb2 -","2","1","","Wang, Chih-Min; Wu, Yi-Ying; Chang, Yu-Wei; Lii, Kwang-Hwa","Luminescent Lanthanide Oxalatophosphites with a 3D Framework Structure: [Ln(H2O)(C2O4)0.5(HPO3)]·H2O (Ln = Pr, Nd, and Sm−Lu)","Chemistry of Materials","2008","20","9","2857","","10.1021/cm703703n","","","0.71073","MoKα","","0.0345","0.0291","","","0.0638","0.0649","","","","","","1.075","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001164","20.1007","0.0007","20.1007","0.0007","20.1007","0.0007","90","","90","","90","","8121.4","0.5","273","2","273","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- B1.5 H3.42 Na O7.96 P V0.5 -","- B1.5 H0.5 Na O7.95833 P V0.5 -","- B72 H24 Na48 O382 P48 V24 -","48","1","","Yang, Weiting; Li, Jiyang; Pan, Qinhe; Jin, Zhao; Yu, Jihong; Xu, Ruren","Na2[VB3P2O12(OH)]·2.92H2O: A New Open-Framework Vanadium Borophosphate Containing Extra-Large 16-Ring Pore Openings and 128166Super Cavities Synthesized by Using the Boric Acid Flux Method","Chemistry of Materials","2008","20","15","4900","","10.1021/cm8000283","","","0.71073","MoKα","","0.083","0.0728","","","0.2165","0.2287","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001165","7.751","0.002","8.1021","0.0015","8.987","0.002","90","","112.67","0.03","90","","520.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Au N5 O14 -","- Au N5 O14 -","- Au2 N10 O28 -","2","0.5","","Wickleder, Mathias S.; Büchner, Oliver; Gerlach, Frauke; Necke, Mandus; Al-Shamery, Katharina; Wich, Thomas; Luttermann, Tim","Synthesis, Characterization and Electron Beam Assisted Decomposition of (NO2)[Au(NO3)4]","Chemistry of Materials","2008","20","16","5181","","10.1021/cm800066r","","","0.71073","MoKα","","0.0985","0.0337","","","0.0534","0.0622","","","","","","0.805","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001166","11.7433","0.0001","11.7433","0.0001","4.1857","0.0001","90","","90","","120","","499.895","0.013","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Gd6 Ni1.667 Si3 -","- Gd6 Ni1.668 Si3 -","- Gd12 Ni3.336 Si6 -","2","0.166667","","Gaudin, Etienne; Tencé, Sophie; Weill, François; Rodriguez Fernandez, Jesus; Chevalier, Bernard","Structural and Magnetocaloric Properties of the New Ternary Silicides Gd6M5/3Si3with M = Co and Ni","Chemistry of Materials","2008","20","9","2972","","10.1021/cm8000859","","","0.71069","MoKα","","0.0466","0.0324","","","0.0686","0.0745","","","","1.07","1.07","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001167","11.7123","0.0004","11.7123","0.0004","4.1705","0.0002","90","","90","","120","","495.45","0.03","120","","120","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Gd6 Ni1.667 Si3 -","- Gd6 Ni1.666 Si3 -","- Gd12 Ni3.332 Si6 -","2","0.166667","","Gaudin, Etienne; Tencé, Sophie; Weill, François; Rodriguez Fernandez, Jesus; Chevalier, Bernard","Structural and Magnetocaloric Properties of the New Ternary Silicides Gd6M5/3Si3with M = Co and Ni","Chemistry of Materials","2008","20","9","2972","","10.1021/cm8000859","","","0.71069","MoKα","","0.0378","0.0262","","","0.0583","0.0617","","","","1.04","1.04","1.02","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001168","15.599","0.005","15.599","0.005","6.246","0.005","90","0.005","90","0.005","120","0.005","1316.2","1.2","293","2","293","2","","","","","","","","4","P 32","P 32","145","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C60 H78 N6 O3 -","3","1","","Sliwa, Michel; Spangenberg, Arnaud; Malfant, Isabelle; Lacroix, Pascal G.; Métivier, Rémi; Pansu, Robert B.; Nakatani, Keitaro","Structural, Optical, and Theoretical Studies of a Thermochromic Organic Crystal with Reversibly Variable Second Harmonic Generation","Chemistry of Materials","2008","20","12","4062","","10.1021/cm800093a","","","0.71073","MoKα","","0.0464","0.0356","","","0.0761","0.0793","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001169","6.289","0.003","8.009","0.003","18.625","0.007","78.018","0.008","88.648","0.009","89.537","0.008","917.4","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","aobtc","","","- C32 H46 N6 O13 -","- C32 H46 N6 O13 -","- C32 H46 N6 O13 -","1","0.5","","Wang, Xi-Sen; Ma, Shengqian; Rauch, Karsten; Simmons, Jason M.; Yuan, Daqiang; Wang, Xiaoping; Yildirim, Taner; Cole, William C.; López, Joseph J.; Meijere, Armin de; Zhou, Hong-Cai","Metal−Organic Frameworks Based on Double-Bond-Coupled Di-Isophthalate Linkers with High Hydrogen and Methane Uptakes","Chemistry of Materials","2008","20","9","3145","","10.1021/cm800403d","","","0.71073","MoKα","","0.1649","0.0926","","","0.2617","0.2956","","","","","","1.459","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001170","18.814","0.015","18.814","0.015","30.58","0.04","90","","90","","120","","9374","16","213","2","213","2","","","","","","","","5","R -3 :H","-R 3","148","PCN-10","","","- C16 H10 Cu2 N2 O10 -","- C16 H10 Cu2 N2 O10 -","- C144 H90 Cu18 N18 O90 -","9","0.5","","Wang, Xi-Sen; Ma, Shengqian; Rauch, Karsten; Simmons, Jason M.; Yuan, Daqiang; Wang, Xiaoping; Yildirim, Taner; Cole, William C.; López, Joseph J.; Meijere, Armin de; Zhou, Hong-Cai","Metal−Organic Frameworks Based on Double-Bond-Coupled Di-Isophthalate Linkers with High Hydrogen and Methane Uptakes","Chemistry of Materials","2008","20","9","3145","","10.1021/cm800403d","","","0.71073","MoKα","","0.0803","0.0577","","","0.1441","0.1537","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001171","7.32","0.007","10.709","0.01","12.668","0.01","65.56","0.018","89.18","0.02","88.097","0.019","903.6","1.4","476","2","476","2","","","","","","","","4","P -1","-P 1","2","sbtc","","","- C34 H48 N4 O12 -","- C34 H48 N4 O12 -","- C34 H48 N4 O12 -","1","0.5","","Wang, Xi-Sen; Ma, Shengqian; Rauch, Karsten; Simmons, Jason M.; Yuan, Daqiang; Wang, Xiaoping; Yildirim, Taner; Cole, William C.; López, Joseph J.; Meijere, Armin de; Zhou, Hong-Cai","Metal−Organic Frameworks Based on Double-Bond-Coupled Di-Isophthalate Linkers with High Hydrogen and Methane Uptakes","Chemistry of Materials","2008","20","9","3145","","10.1021/cm800403d","","","0.71073","MoKα","","0.1289","0.118","","","0.3004","0.3105","","","","","","1.248","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001172","18.795","0.003","18.795","0.003","31.28","0.009","90","","90","","120","","9569","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","PCN-11","","","- C18 H12 Cu2 O10 -","- C18 H12 Cu2 O10 -","- C162 H108 Cu18 O90 -","9","0.5","","Wang, Xi-Sen; Ma, Shengqian; Rauch, Karsten; Simmons, Jason M.; Yuan, Daqiang; Wang, Xiaoping; Yildirim, Taner; Cole, William C.; López, Joseph J.; Meijere, Armin de; Zhou, Hong-Cai","Metal−Organic Frameworks Based on Double-Bond-Coupled Di-Isophthalate Linkers with High Hydrogen and Methane Uptakes","Chemistry of Materials","2008","20","9","3145","","10.1021/cm800403d","","","0.71073","MoKα","","0.2457","0.0994","","","0.1984","0.2408","","","","","","0.934","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001173","7.941","0.0002","6.7131","0.0001","17.7867","0.0003","90","","95.269","0.002","90","","944.18","0.03","100","2","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","azidoformamidinium 1-methyl-5-nitriminotetrazolate","azidoformamidinium 1-methyl-5-nitriminotetrazolate","","- C3 H7 N11 O2 -","- C3 H7 N11 O2 -","- C12 H28 N44 O8 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg; Wallek, Andreas U.","Nitrogen-Rich Salts of 1-Methyl-5-nitriminotetrazolate: An Auspicious Class of Thermally Stable Energetic Materials","Chemistry of Materials","2008","20","13","4519","","10.1021/cm8004166","","","0.71073","MoKα","","0.039","0.0298","","","0.0676","0.0735","","","","","","1.081","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001174","10.774","0.0003","8.4315","0.0002","6.4111","0.0002","90","","103.816","0.003","90","","565.54","0.03","100","2","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","silver 1-methyl-5-nitriminotetrazolate","silver 1-methyl-5-nitriminotetrazolate","","- C2 H3 Ag N6 O2 -","- C2 H3 Ag N6 O2 -","- C8 H12 Ag4 N24 O8 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg; Wallek, Andreas U.","Nitrogen-Rich Salts of 1-Methyl-5-nitriminotetrazolate: An Auspicious Class of Thermally Stable Energetic Materials","Chemistry of Materials","2008","20","13","4519","","10.1021/cm8004166","","","0.71073","MoKα","","0.0244","0.019","","","0.0473","0.0494","","","","","","1.076","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001175","7.081","0.002","7.3612","0.0018","10.515","0.003","80.68","0.02","88.59","0.02","74.05","0.02","519.9","0.3","100","2","200","","","","","","","","","4","P -1","-P 1","2","diaminoguanidinium 1-methyl-5-nitriminotetrazolate monohydrate","diaminoguanidinium 1-methyl-5-nitriminotetrazolate monohydrate","","- C3 H13 N11 O3 -","- C3 H13 N11 O3 -","- C6 H26 N22 O6 -","2","1","","Klapötke, Thomas M.; Stierstorfer, Jörg; Wallek, Andreas U.","Nitrogen-Rich Salts of 1-Methyl-5-nitriminotetrazolate: An Auspicious Class of Thermally Stable Energetic Materials","Chemistry of Materials","2008","20","13","4519","","10.1021/cm8004166","","","0.71073","MoKα","","0.0414","0.0315","","","0.0841","0.0889","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001176","21.2356","0.0008","6.8969","0.0002","12.1761","0.0004","90","","102.457","0.002","90","","1741.33","0.1","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","guanidinium 1-methyl-5-nitriminotetrazolate","guanidinium 1-methyl-5-nitriminotetrazolate","","- C3 H9 N9 O2 -","- C3 H9 N9 O2 -","- C24 H72 N72 O16 -","8","1","","Klapötke, Thomas M.; Stierstorfer, Jörg; Wallek, Andreas U.","Nitrogen-Rich Salts of 1-Methyl-5-nitriminotetrazolate: An Auspicious Class of Thermally Stable Energetic Materials","Chemistry of Materials","2008","20","13","4519","","10.1021/cm8004166","","","0.71073","MoKα","","0.0578","0.0487","","","0.1311","0.1359","","","","","","1.155","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001177","6.865","0.0002","7.98","0.0002","10.518","0.0003","101.311","0.002","103.776","0.002","103.123","0.002","525.6","0.03","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Triaminoguanidinium 1-methyl-5-nitriminotetrazolate","Triaminoguanidinium 1-methyl-5-nitriminotetrazolate","","- C3 H12 N12 O2 -","- C3 H12 N12 O2 -","- C6 H24 N24 O4 -","2","1","","Klapötke, Thomas M.; Stierstorfer, Jörg; Wallek, Andreas U.","Nitrogen-Rich Salts of 1-Methyl-5-nitriminotetrazolate: An Auspicious Class of Thermally Stable Energetic Materials","Chemistry of Materials","2008","20","13","4519","","10.1021/cm8004166","","","0.71073","MoKα","","0.0385","0.0354","","","0.1098","0.1131","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001178","7.8548","0.0009","7.8548","0.0009","44.184","0.007","90","","90","","120","","2360.8","0.5","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ag19 Br7 Te6 -","- Ag18.964 Br7 Te6 -","- Ag56.892 Br21 Te18 -","3","0.0833333","","Nilges, Tom; Messel, Julia; Bawohl, Melanie; Lange, Stefan","Silver(I) Chalcogenide Halides Ag19Te6Br7, Ag19Te6Br5.4I1.6, and Ag19Te5SeBr7","Chemistry of Materials","2008","20","12","4080","","10.1021/cm800425u","","","0.71073","MoKα","","0.1182","0.0728","","","0.098","0.1018","","","","2.53","2.53","1.82","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001179","13.604","0.002","7.857","0.002","15.395","0.002","90","","107.13","0.01","90","","1572.5","0.5","298","","298","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ag19 Br7 Te6 -","- Ag18.988 Br7 Te6 -","- Ag37.976 Br14 Te12 -","2","0.25","","Nilges, Tom; Messel, Julia; Bawohl, Melanie; Lange, Stefan","Silver(I) Chalcogenide Halides Ag19Te6Br7, Ag19Te6Br5.4I1.6, and Ag19Te5SeBr7","Chemistry of Materials","2008","20","12","4080","","10.1021/cm800425u","","","0.71073","MoKα","","0.1254","0.043","","","0.0492","0.0607","","","","1.85","1.85","1.15","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001180","15.442","0.003","7.889","0.002","26.089","0.004","90","","90","","90","","3178.2","1.1","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag19 Br5.438 I1.562 Te6 -","- Ag18.987 Br5.43 I1.57 Te6 -","- Ag75.948 Br21.72 I6.28 Te24 -","4","0.5","","Nilges, Tom; Messel, Julia; Bawohl, Melanie; Lange, Stefan","Silver(I) Chalcogenide Halides Ag19Te6Br7, Ag19Te6Br5.4I1.6, and Ag19Te5SeBr7","Chemistry of Materials","2008","20","12","4080","","10.1021/cm800425u","","","0.71073","MoKα","","0.1596","0.0417","","","0.0498","0.0667","","","","1.57","1.57","0.84","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001181","15.298","0.002","38.847","0.004","7.83","0.001","90","","90","","90","","4653.2","1","298","","298","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ag19 Br7 Se0.961 Te5.039 -","- Ag19.0173 Br7 Se0.96 Te5.04 -","- Ag114.104 Br42 Se5.76 Te30.24 -","6","0.75","","Nilges, Tom; Messel, Julia; Bawohl, Melanie; Lange, Stefan","Silver(I) Chalcogenide Halides Ag19Te6Br7, Ag19Te6Br5.4I1.6, and Ag19Te5SeBr7","Chemistry of Materials","2008","20","12","4080","","10.1021/cm800425u","","","0.71073","MoKα","","0.2469","0.022","","","0.0216","0.0503","","","","0.43","0.43","0.47","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001182","9.683","0.00011","13.31784","0.00015","9.59151","0.00011","90","","90","","90","","1236.89","0.02","11","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.03318","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001183","9.68301","0.00011","13.31962","0.00015","9.59143","0.00011","90","","90","","90","","1237.05","0.02","50","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.03287","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001184","9.68232","0.00012","13.32028","0.00017","9.59088","0.00012","90","","90","","90","","1236.95","0.03","100","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.03348","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001185","9.68078","0.00007","13.32122","0.0001","9.58941","0.00007","90","","90","","90","","1236.65","0.016","150","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001186","9.67845","0.00008","13.32378","0.00011","9.58721","0.00008","90","","90","","90","","1236.31","0.018","200","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001187","9.67514","0.00007","13.32701","0.00009","9.58449","0.00007","90","","90","","90","","1235.83","0.015","250","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001188","9.67137","0.00007","13.32622","0.00009","9.58112","0.00007","90","","90","","90","","1234.84","0.015","300","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.04158","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001189","9.66691","0.00006","13.33095","0.00008","9.57804","0.00006","90","","90","","90","","1234.31","0.013","350","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.04486","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001190","9.66276","0.00006","13.33496","0.00008","9.57504","0.00006","90","","90","","90","","1233.77","0.013","400","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.0452","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001191","9.65894","0.00006","13.33824","0.00008","9.57242","0.00006","90","","90","","90","","1233.25","0.013","450","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.04699","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001192","9.65542","0.00005","13.34124","0.00007","9.57","0.00005","90","","90","","90","","1232.76","0.011","500","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.049","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001193","9.65196","0.00005","13.34383","0.00007","9.56777","0.00005","90","","90","","90","","1232.27","0.011","550","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05101","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001194","9.64871","0.00005","13.34598","0.00007","9.56563","0.00005","90","","90","","90","","1231.78","0.011","600","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05444","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001195","9.64531","0.00005","13.3478","0.00007","9.56346","0.00005","90","","90","","90","","1231.23","0.011","650","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05713","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001196","9.64236","0.00005","13.34917","0.00007","9.56139","0.00005","90","","90","","90","","1230.72","0.011","700","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06006","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001197","9.63965","0.00005","13.35026","0.00007","9.55959","0.00005","90","","90","","90","","1230.24","0.011","750","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06199","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001198","9.63696","0.00005","13.3511","0.00007","9.55783","0.00005","90","","90","","90","","1229.75","0.011","800","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06332","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001199","9.6344","0.00005","13.35201","0.00007","9.55607","0.00005","90","","90","","90","","1229.28","0.011","850","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06626","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001200","9.63194","0.00005","13.35293","0.00007","9.55447","0.00005","90","","90","","90","","1228.84","0.011","900","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06851","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001201","9.6297","0.00005","13.35375","0.00007","9.55309","0.00005","90","","90","","90","","1228.46","0.011","950","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.06829","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001202","9.62547","0.00005","13.35545","0.00008","9.55038","0.00005","90","","90","","90","","1227.72","0.012","1050","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07153","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001203","9.62355","0.00006","13.35626","0.00008","9.5491","0.00006","90","","90","","90","","1227.39","0.013","1100","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07383","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001204","9.62166","0.00006","13.35709","0.00008","9.54792","0.00006","90","","90","","90","","1227.07","0.013","1150","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07284","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001205","9.61988","0.00006","13.35768","0.00008","9.54671","0.00006","90","","90","","90","","1226.74","0.013","1200","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.07653","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001206","9.61797","0.00006","13.35797","0.00008","9.54552","0.00006","90","","90","","90","","1226.38","0.013","1250","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001207","6.13228","0.00026","6.13228","","6.13228","","98.928","0.005","98.928","","98.928","","221.22","0.01","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- O12 Sc6 W -","- O12 Sc6 W -","- O12 Sc6 W -","1","0.166667","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001208","9.61588","0.00006","13.35786","0.00009","9.54392","0.00006","90","","90","","90","","1225.89","0.014","1300","","","","","","","","","","","3","P n c a","-P 2a 2n","60","Scandium Tungstate","Scandium Tungstate","","- O12 Sc2 W3 -","- O12 Sc2 W3 -","- O48 Sc8 W12 -","4","0.5","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001209","6.13563","0.0001","6.13563","","6.13563","","98.9226","0.0017","98.9226","","98.9226","","221.594","0.004","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","","","- O12 Sc6 W -","- O12 Sc6 W -","- O12 Sc6 W -","1","0.166667","","Zhou, Yongkai; Adams, Stefan; Rao, R. Prasada; Edwards, Doreen D.; Neiman, Arkady; Pestereva, N.","Charge Transport by Polyatomic Anion Diffusion in Sc2(WO4)3","Chemistry of Materials","2008","20","20","6335","","10.1021/cm800466y","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001210","10.707","0.0005","13.5317","0.0005","16.9215","0.0006","68.1644","0.0013","85.9627","0.0012","84.4285","0.0012","2263.45","0.16","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C57.5 H55.5 O3.5 -","- C57.5 H55.5 O3.5 -","- C115 H111 O7 -","2","1","","Feng, Xinliang; Pisula, Wojciech; Takase, Masayoshi; Dou, Xi; Enkelmann, Volker; Wagner, Manfred; Ding, Ning; Müllen, Klaus","Synthesis, Helical Organization, and Fibrous Formation ofC3Symmetric Methoxy-Substituted Discotic Hexa-peri-hexabenzocoronene","Chemistry of Materials","2008","20","9","2872","","10.1021/cm800515s","","","0.71073","MoKα","","0.1547","0.0557","","0.0314","0.0161","0.0161","","","","","","1.1562","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001211","13.7013","0.0019","18.271","0.002","22.817","0.003","84.145","0.009","83.761","0.009","83.781","0.009","5621.1","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H76 As3 F18 Li3 O18 -","- C36 H76 As3 F18 Li3 O18 -","- C144 H304 As12 F72 Li12 O72 -","4","2","","Zhang, Chuhong; Lilley, Scott J.; Ainsworth, David; Staunton, Edward; Andreev, Yuri G.; Slawin, Alexandra M. Z.; Bruce, Peter G.","Structure and Conductivity of Small-Molecule Electrolytes [CH3O(CH2CH2O)nCH3]:LiAsF6(n= 8−12)","Chemistry of Materials","2008","20","12","4039","","10.1021/cm8005327","","","0.71073","MoKα","","0.0514","0.0446","","","0.1126","0.118","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001212","16.394","0.003","11.3514","0.0017","17.215","0.003","90","","108.251","0.005","90","","3042.5","0.9","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 As2 F12 Li2 O9 -","- C18 H38 As2 F12 Li2 O9 -","- C72 H152 As8 F48 Li8 O36 -","4","1","","Zhang, Chuhong; Lilley, Scott J.; Ainsworth, David; Staunton, Edward; Andreev, Yuri G.; Slawin, Alexandra M. Z.; Bruce, Peter G.","Structure and Conductivity of Small-Molecule Electrolytes [CH3O(CH2CH2O)nCH3]:LiAsF6(n= 8−12)","Chemistry of Materials","2008","20","12","4039","","10.1021/cm8005327","","","0.71073","MoKα","","0.059","0.0437","","","0.1035","0.1126","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001213","9.2197","0.0014","9.3713","0.0014","35.083","0.006","82.412","0.011","84.302","0.012","87.731","0.01","2988.7","0.8","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H84 As3 F18 Li3 O20 -","- C40 H84 As3 F18 Li3 O20 -","- C80 H168 As6 F36 Li6 O40 -","2","1","","Zhang, Chuhong; Lilley, Scott J.; Ainsworth, David; Staunton, Edward; Andreev, Yuri G.; Slawin, Alexandra M. Z.; Bruce, Peter G.","Structure and Conductivity of Small-Molecule Electrolytes [CH3O(CH2CH2O)nCH3]:LiAsF6(n= 8−12)","Chemistry of Materials","2008","20","12","4039","","10.1021/cm8005327","","","0.71073","MoKα","","0.1823","0.1298","","","0.2635","0.2924","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001214","9.399","0.003","9.498","0.003","11.832","0.004","104.518","0.015","111.092","0.013","91.857","0.017","945.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 As2 F12 Li2 O12 -","- C24 H50 As2 F12 Li2 O12 -","- C24 H50 As2 F12 Li2 O12 -","1","0.5","","Zhang, Chuhong; Lilley, Scott J.; Ainsworth, David; Staunton, Edward; Andreev, Yuri G.; Slawin, Alexandra M. Z.; Bruce, Peter G.","Structure and Conductivity of Small-Molecule Electrolytes [CH3O(CH2CH2O)nCH3]:LiAsF6(n= 8−12)","Chemistry of Materials","2008","20","12","4039","","10.1021/cm8005327","","","1.54178","CuKα","","0.1418","0.1379","","","0.3351","0.3439","","","","","","1.494","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001215","12.3091","0.0019","12.9354","0.0016","13.5584","0.0019","87.196","0.009","73.571","0.009","74.149","0.008","1991","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H54 As2 F12 Li2 O13 -","- C26 H54 As2 F12 Li2 O13 -","- C52 H108 As4 F24 Li4 O26 -","2","1","","Zhang, Chuhong; Lilley, Scott J.; Ainsworth, David; Staunton, Edward; Andreev, Yuri G.; Slawin, Alexandra M. Z.; Bruce, Peter G.","Structure and Conductivity of Small-Molecule Electrolytes [CH3O(CH2CH2O)nCH3]:LiAsF6(n= 8−12)","Chemistry of Materials","2008","20","12","4039","","10.1021/cm8005327","","","0.71073","MoKα","","0.1237","0.1069","","","0.2302","0.2409","","","","","","1.15","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001216","7.6335","0.0007","7.655","0.0008","16.8281","0.0008","75.65","0.009","86.542","0.013","81.391","0.008","941.65","0.14","125","","125","","","","","","","","","4","P -1","-P 1","2","","5,12-bis(triisopropylsilylethynyl)tetraceno[2,3-b]thiophene","","- C42 H52 S Si2 -","- C42.1108 H47.1808 S1.112 Si2 -","- C42.1108 H47.1808 S1.112 Si2 -","1","0.5","","Tang, Ming L.; Reichardt, Anna D.; Siegrist, Theo; Mannsfeld, Stefan C. B.; Bao, Zhenan","Trialkylsilylethynyl-Functionalized Tetraceno[2,3-b]thiophene and Anthra[2,3-b]thiophene Organic Transistors","Chemistry of Materials","2008","20","14","4669","","10.1021/cm800644y","","","0.71073","MoKα","","0.086","0.086","","0.2233","0.2233","0.2233","","","","","","1.0115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001217","6.2831","0.0002","17.9804","0.0004","13.9958","0.0004","90","","90.225","0.003","90","","1581.13","0.08","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 S Si2 -","- C36 H40 S Si2 -","- C72 H80 S2 Si4 -","2","0.5","","Tang, Ming L.; Reichardt, Anna D.; Siegrist, Theo; Mannsfeld, Stefan C. B.; Bao, Zhenan","Trialkylsilylethynyl-Functionalized Tetraceno[2,3-b]thiophene and Anthra[2,3-b]thiophene Organic Transistors","Chemistry of Materials","2008","20","14","4669","","10.1021/cm800644y","","","0.71073","MoKα","","0.0726","0.0453","","0.1095","0.0969","0.1095","","","","","","1.2958","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001218","5.93","","10","","11.53","","75.43","","77.4","","84.7","","645.295","","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 S2 Si2 -","- C28.56 H26 S1.5 Si2 -","- C28.56 H26 S1.5 Si2 -","1","0.5","","Tang, Ming L.; Reichardt, Anna D.; Siegrist, Theo; Mannsfeld, Stefan C. B.; Bao, Zhenan","Trialkylsilylethynyl-Functionalized Tetraceno[2,3-b]thiophene and Anthra[2,3-b]thiophene Organic Transistors","Chemistry of Materials","2008","20","14","4669","","10.1021/cm800644y","","","0.71073","MoKα","","0.1345","0.0893","","0.217","0.2003","0.217","","","","","","1.2246","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001219","8.3354","0.0008","10.4582","0.001","11.0523","0.0015","68.223","0.011","86.768","0.009","85.011","0.008","891.01","0.18","120","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H50 S Si2 -","- C37 S1.372 Si2 -","- C37 S1.372 Si2 -","1","0.5","","Tang, Ming L.; Reichardt, Anna D.; Siegrist, Theo; Mannsfeld, Stefan C. B.; Bao, Zhenan","Trialkylsilylethynyl-Functionalized Tetraceno[2,3-b]thiophene and Anthra[2,3-b]thiophene Organic Transistors","Chemistry of Materials","2008","20","14","4669","","10.1021/cm800644y","","","0.71073","MoKα","","0.1806","0.1132","","0.2489","0.2111","0.2489","","","","","","1.9614","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001220","11.0096","0.0008","11.3272","0.0008","11.9921","0.0012","90","","91.079","0.007","90","","1495.2","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 S Si2 -","- C31 S1.26 Si2 -","- C62 S2.52 Si4 -","2","1","","Tang, Ming L.; Reichardt, Anna D.; Siegrist, Theo; Mannsfeld, Stefan C. B.; Bao, Zhenan","Trialkylsilylethynyl-Functionalized Tetraceno[2,3-b]thiophene and Anthra[2,3-b]thiophene Organic Transistors","Chemistry of Materials","2008","20","14","4669","","10.1021/cm800644y","","","0.71073","MoKα","","0.2832","0.156","","0.3313","0.2539","0.3313","","","","","","1.3034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001221","9.015","0.0005","9.4739","0.0006","19.7373","0.0011","88.964","0.001","78.938","0.001","85.489","0.001","1649.25","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H19 Al6 N4 O28 P7 -","- C10 H19 Al6 N4 O28 P7 -","- C20 H38 Al12 N8 O56 P14 -","2","1","","Xing, Hongzhu; Li, Jiyang; Yan, Wenfu; Chen, Peng; Jin, Zhao; Yu, Jihong; Dai, Sheng; Xu, Ruren","Cotemplating Ionothermal Synthesis of a New Open-Framework Aluminophosphate with Unique Al/P Ratio of 6/7","Chemistry of Materials","2008","20","13","4179","","10.1021/cm800701x","","","0.71073","MoKα","","0.0703","0.0572","","","0.1592","0.1736","","","","","","1.072","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001222","8.6408","0.0008","12.9692","0.0013","14.3498","0.0014","79.901","0.002","79.483","0.002","83.439","0.002","1551","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","- C76 H96 N4 O4 -","2","1","","Beverina, Luca; Crippa, Maurizio; Salice, Patrizio; Ruffo, Riccardo; Ferrante, Camilla; Fortunati, Ilaria; Signorini, Raffaella; Mari, Claudio Maria; Bozio, Renato; Facchetti, Antonio; Pagani, Giorgio A.","Indolic Squaraines as Two-Photon Absorbing Dyes in the Visible Region: X-ray Structure, Electrochemical, and Nonlinear Optical Characterization","Chemistry of Materials","2008","20","10","3242","","10.1021/cm800714k","","","0.71073","MoKα","","0.0941","0.0516","","","0.1082","0.124","","","","","","0.9","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001223","7.9237","0.0019","8.468","0.002","12.089","0.003","95.784","0.006","97.426","0.006","111.029","0.006","741.2","0.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 N2 O2 -","- C36 H44 N2 O2 -","- C36 H44 N2 O2 -","1","0.5","","Beverina, Luca; Crippa, Maurizio; Salice, Patrizio; Ruffo, Riccardo; Ferrante, Camilla; Fortunati, Ilaria; Signorini, Raffaella; Mari, Claudio Maria; Bozio, Renato; Facchetti, Antonio; Pagani, Giorgio A.","Indolic Squaraines as Two-Photon Absorbing Dyes in the Visible Region: X-ray Structure, Electrochemical, and Nonlinear Optical Characterization","Chemistry of Materials","2008","20","10","3242","","10.1021/cm800714k","","","0.71073","MoKα","","0.1162","0.087","","","0.2052","0.2167","","","","","","1.099","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4001224","11.943","0.005","22.59","0.008","6.805","0.002","90","","90","","90","","1835.9","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge Li S6 -","- Ga2 Ge Li2 S6 -","- Ga16 Ge8 Li16 S48 -","8","0.5","","Kim, Youngsik; Seo, In-seok; Martin, Steve W.; Baek, Jaewook; Shiv Halasyamani, P.; Arumugam, Nachiappan; Steinfink, Hugo","Characterization of New Infrared Nonlinear Optical Material with High Laser Damage Threshold, Li2Ga2GeS6","Chemistry of Materials","2008","20","19","6048","","10.1021/cm8007304","","","0.71073","MoKα","","0.0459","0.0459","","","0.113","0.113","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001225","9.3965","0.0015","9.3965","0.0015","14.412","0.002","90","","90","","90","","1272.5","0.3","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Bis(eta5-cyclopentadienyl)bis(methylselenolato)titanium(IV)","","- C12 H16 Se2 Ti -","- C12 H16 Se2 Ti -","- C48 H64 Se8 Ti4 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)","Chemistry of Materials","2008","20","15","5100","","10.1021/cm800802g","","","0.71073","MoKα","","0.0533","0.0423","","","0.0747","0.079","","","","","","1.144","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001226","9.5191","0.001","9.5191","0.001","14.604","0.002","90","","90","","90","","1323.3","0.3","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Bis(eta5-cyclopentadienyl)bis(methylselenolato)hafnium(IV)","","- C12 H16 Hf Se2 -","- C12 H16 Hf Se2 -","- C48 H64 Hf4 Se8 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)","Chemistry of Materials","2008","20","15","5100","","10.1021/cm800802g","","","0.71073","MoKα","","0.0212","0.0204","","","0.0443","0.045","","","","","","1.115","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001227","8.2833","0.001","10.763","0.002","13.944","0.003","69.034","0.01","86.054","0.01","68.558","0.01","1077.8","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","mu-oxido-bis{bis(eta5-cyclopentadienyl)(methylselenolato)zirconium(IV)}","","- C22 H26 O Se2 Zr2 -","- C22 H26 O Se2 Zr2 -","- C44 H52 O2 Se4 Zr4 -","2","1","","Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)","Chemistry of Materials","2008","20","15","5100","","10.1021/cm800802g","","","0.71073","MoKα","","0.0352","0.0274","","","0.0662","0.0693","","","","","","1.011","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001228","16.434","0.004","9.3217","0.0017","12.668","0.002","90","","108.391","0.015","90","","1841.5","0.7","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(eta5-cyclopentadienyl)bis(t-butylselenolato)titanium(IV)","","- C18 H28 Se2 Ti -","- C18 H28 Se2 Ti -","- C72 H112 Se8 Ti4 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)","Chemistry of Materials","2008","20","15","5100","","10.1021/cm800802g","","","0.71073","MoKα","","0.2528","0.086","","","0.178","0.2412","","","","","","1.004","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001229","10.026","0.002","10.026","0.002","19.288","0.003","90","","90","","90","","1938.8","0.6","120","2","120","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","bis(eta5-cyclopentadienyl)bis(t-butylselenolato)zirconium(IV)","","- C18 H28 Se2 Zr -","- C18 H28 Se2 Zr -","- C72 H112 Se8 Zr4 -","4","0.5","","Hector, Andrew L.; Levason, William; Reid, Gillian; Reid, Stuart D.; Webster, Michael","Evaluation of Group 4 Metal Bis-cyclopentadienyl Complexes with Selenolate and Tellurolate Ligands for CVD of ME2Films (E = Se or Te)","Chemistry of Materials","2008","20","15","5100","","10.1021/cm800802g","","","0.71073","MoKα","","0.0979","0.0806","","","0.1755","0.1859","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001230","5.6897","0.0001","13.6631","0.0003","16.5159","0.0004","90","","99.566","0.001","90","","1266.08","0.05","180","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phen:1,4-tfbb 2/1","phenazine:1,4-dibromotetrafluorobenzene 2/1","","- C30 H16 Br2 F4 N2 -","- C30 H16 Br2 F4 N4 -","- C60 H32 Br4 F8 N8 -","2","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Structural Equivalence of Br and I Halogen Bonds: A Route to Isostructural Materials with Controllable Properties","Chemistry of Materials","2008","20","21","6623","","10.1021/cm800923r","","","0.71073","MoKα","","0.0466","0.0364","","","0.1004","0.1203","","","","","","1.09","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001231","5.6639","0.0002","14.324","0.0004","16.573","0.0006","90","","102.224","0.001","90","","1314.08","0.08","180","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","phen:1,4-tfib 2/1","phenazine:tetrafluoro-1,4-dioodobenzene 2/1","","- C30 H16 F4 I2 N4 -","- C30 H16 F4 I2 N4 -","- C60 H32 F8 I4 N8 -","2","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Structural Equivalence of Br and I Halogen Bonds: A Route to Isostructural Materials with Controllable Properties","Chemistry of Materials","2008","20","21","6623","","10.1021/cm800923r","","","0.71073","MoKα","","0.0601","0.0371","","","0.0922","0.1203","","","","","","1.139","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001232","9.9607","0.0002","5.6734","0.0001","23.0529","0.0003","90","","91.118","0.001","90","","1302.5","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-dibromo-tetrafluorobenzene-acridine 1/2","","- C32 H18 Br2 F4 N2 -","- C32 H18 Br2 F4 N2 -","- C64 H36 Br4 F8 N4 -","2","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Structural Equivalence of Br and I Halogen Bonds: A Route to Isostructural Materials with Controllable Properties","Chemistry of Materials","2008","20","21","6623","","10.1021/cm800923r","","","0.71073","MoKα","","0.0688","0.0433","","","0.1261","0.161","","","","","","1.206","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001233","10.4907","0.0002","5.5679","0.0001","23.0787","0.0004","90","","90.765","0.001","90","","1347.93","0.04","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","acr-tfib 2/1","acridine-tetrafluoro-1,4-dioodobenzene 2/1","","- C32 H18 F4 I2 N2 -","- C32 H18 F4 I2 N2 -","- C64 H36 F8 I4 N4 -","2","0.5","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Structural Equivalence of Br and I Halogen Bonds: A Route to Isostructural Materials with Controllable Properties","Chemistry of Materials","2008","20","21","6623","","10.1021/cm800923r","","","0.71073","MoKα","","0.0514","0.0346","","","0.096","0.1249","","","","","","1.214","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001234","6.2077","0.0002","9.5818","0.0004","12.7244","0.0005","104.361","0.003","97.004","0.002","107.591","0.002","682.85","0.05","180","2","293","2","","","","","","","","4","P -1","-P 1","2","DABCO:1,4-dib 1/1","1,4-diazabicyclo[2.2.2]octane:1,4-diiodobenzene 1/1","","- C12 H14 I2 N2 -","- C12 H16 I2 N2 -","- C24 H32 I4 N4 -","2","1","","Cinčić, Dominik; Friščić, Tomislav; Jones, William","Structural Equivalence of Br and I Halogen Bonds: A Route to Isostructural Materials with Controllable Properties","Chemistry of Materials","2008","20","21","6623","","10.1021/cm800923r","","","0.71073","MoKα","","0.0739","0.0509","","","0.1255","0.1418","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001235","7.6325","","16.5001","","6.9985","","90","","119.501","","90","","767.098","","","","823","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- O4.5 Pb V1.5 -","- O2.25 Pb0.5 V0.75 -","- O36 Pb8 V12 -","16","4","","Mentré, O.; Koo, H.-J.; Whangbo, M.-H.","Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb2V3O9and Pb2As2VO9","Chemistry of Materials","2008","20","22","6929","","10.1021/cm800924j","","","0.71073","MoKα","","0.0602","0.0501","","","0.0576","0.0659","","","","0.86","0.86","0.89","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001236","7.6002","","16.411","","6.9815","","91.336","","119.324","","90.517","","758.787","","","","293","","","","","","","","","3","C 1","C 1","1","","","","- O9 Pb2 V3 -","- O9 Pb2 V3 -","- O36 Pb8 V12 -","4","","","Mentré, O.; Koo, H.-J.; Whangbo, M.-H.","Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb2V3O9and Pb2As2VO9","Chemistry of Materials","2008","20","22","6929","","10.1021/cm800924j","","","0.71069","MoKα","","0.0798","0.0449","","","0.0499","0.0516","","","","2.35","2.35","1.94","","","","has coordinates","209123","2020-10-21","18:00:00",""
"4001237","7.5647","0.0017","16.473","0.004","6.9557","0.0016","90","","120.07","0.004","90","","750.1","0.3","","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As2 O9 Pb2 V -","- As2 O9 Pb2 V -","- As8 O36 Pb8 V4 -","4","1","","Mentré, O.; Koo, H.-J.; Whangbo, M.-H.","Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb2V3O9and Pb2As2VO9","Chemistry of Materials","2008","20","22","6929","","10.1021/cm800924j","","","0.71073","MoKα","","0.0583","0.0442","","","0.0443","0.0551","","","","2.98","2.98","3.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001238","6.427","0.006","11.786","0.015","10.615","0.013","90","","91.47","0.1","90","","803.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 Ba O8 P -","- C2 H7 Ba O8 P -","- C8 H28 Ba4 O32 P4 -","4","1","","Demadis, Konstantinos D.; Papadaki, Maria; Raptis, Raphael G.; Zhao, Hong","Corrugated, Sheet-Like Architectures in Layered Alkaline-Earth MetalR,S-Hydroxyphosphonoacetate Frameworks: Applications for Anticorrosion Protection of Metal Surfaces","Chemistry of Materials","2008","20","15","4835","","10.1021/cm801004w","","","0.71073","MoKα","","0.029","0.0285","","","0.0747","0.0751","","","","","","1.166","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001239","11.381","0.003","6.9693","0.0017","13.271","0.003","90","","112.404","0.018","90","","973.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 O10 P Sr -","- C2 H11 O10 P Sr -","- C8 H44 O40 P4 Sr4 -","4","1","","Demadis, Konstantinos D.; Papadaki, Maria; Raptis, Raphael G.; Zhao, Hong","Corrugated, Sheet-Like Architectures in Layered Alkaline-Earth MetalR,S-Hydroxyphosphonoacetate Frameworks: Applications for Anticorrosion Protection of Metal Surfaces","Chemistry of Materials","2008","20","15","4835","","10.1021/cm801004w","","","0.71073","MoKα","","0.0264","0.0242","","","0.0655","0.0666","","","","","","1.078","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001240","6.279","0.002","11.203","0.006","10.443","0.005","90","","92.02","0.04","90","","734.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H7 O8 P Sr -","- C2 H7 O8 P Sr -","- C8 H28 O32 P4 Sr4 -","4","1","","Demadis, Konstantinos D.; Papadaki, Maria; Raptis, Raphael G.; Zhao, Hong","Corrugated, Sheet-Like Architectures in Layered Alkaline-Earth MetalR,S-Hydroxyphosphonoacetate Frameworks: Applications for Anticorrosion Protection of Metal Surfaces","Chemistry of Materials","2008","20","15","4835","","10.1021/cm801004w","","","0.71073","MoKα","","0.0239","0.0229","","","0.0614","0.0618","","","","","","1.081","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001241","9.81605","0.00014","9.81605","","2.85489","0.00005","90","","90","","90","","275.082","0.006","","","","","","","","","","","","4","I 4/m","-I 4","87","","","","- K0.07 Mn0.5 O W0 -","- K0.0663775 Mn0.495965 O W0.004035 -","- K1.06204 Mn7.93544 O16 W0.06456 -","16","1","","Calvert, Craig; Joesten, Raymond; Ngala, Katana; Villegas, Josanlet; Morey, Aimee; Shen, Xiongfei; Suib, Steven L.","Synthesis, Characterization, and Rietveld Refinement of Tungsten-Framework-Doped Porous Manganese Oxide (K-OMS-2) Material","Chemistry of Materials","2008","20","20","6382","","10.1021/cm801146m","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.06145","","2.08","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001242","9.80411","0.00015","9.80411","","2.85201","0.00005","90","","90","","90","","274.137","0.006","","","","","","","","","","","","1","I 4/m","-I 4","87","","","","- K0.06 -","- K0.0636775 Mn0.493625 O W0.006375 -","- K1.01884 Mn7.898 O16 W0.102 -","16","1","","Calvert, Craig; Joesten, Raymond; Ngala, Katana; Villegas, Josanlet; Morey, Aimee; Shen, Xiongfei; Suib, Steven L.","Synthesis, Characterization, and Rietveld Refinement of Tungsten-Framework-Doped Porous Manganese Oxide (K-OMS-2) Material","Chemistry of Materials","2008","20","20","6382","","10.1021/cm801146m","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.06417","","1.85","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001243","5.87589","0.00018","8.42064","0.00011","17.6455","0.0005","90","","90","","90","","873.08","0.04","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Li3.06 Mg1.94 O6 Ru -","- Li3.059 Mg1.941 O6 Ru -","- Li24.472 Mg15.528 O48 Ru8 -","8","0.25","","Derakhshan, Shahab; Greedan, John E.; Katsumata, Tetsuhiro; Cranswick, Lachlan M. D.","Long-Range Antiferromagnetic Ordering in the Novel Magnetically Frustrated Rock Salt Oxide System: Li3Mg2RuO6","Chemistry of Materials","2008","20","17","5714","","10.1021/cm801161r","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001244","20.638","0.002","6.5041","0.0007","13.4368","0.0015","90","","94.15","0.002","90","","1798.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Co K O5 -","- C8 H5 Co K O5 -","- C64 H40 Co8 K8 O40 -","8","1","","Cheng, Xiao-Ning; Xue, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming","Weak Ferromagnetism and Dynamic Magnetic Behavior of Two 2D Compounds with Hydroxy/Carboxylate-Bridged Co(II) Chains","Chemistry of Materials","2008","20","16","5345","","10.1021/cm8012599","","","0.71073","MoKα","","0.0324","0.0303","","","0.0772","0.0789","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001245","20.68","0.005","6.6343","0.0016","13.909","0.004","90","","92.946","0.004","90","","1905.8","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H5 Co Cs O5 -","- C8 H5 Co Cs O5 -","- C64 H40 Co8 Cs8 O40 -","8","1","","Cheng, Xiao-Ning; Xue, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming","Weak Ferromagnetism and Dynamic Magnetic Behavior of Two 2D Compounds with Hydroxy/Carboxylate-Bridged Co(II) Chains","Chemistry of Materials","2008","20","16","5345","","10.1021/cm8012599","","","0.71073","MoKα","","0.0635","0.0576","","","0.1363","0.1394","","","","","","1.135","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001246","6.2126","0.0012","28.296","0.006","7.5789","0.0015","90","","90.53","0.03","90","","1332.3","0.5","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","2","","Du, Chunyan; Guo, Yunlong; Liu, Yunqi; Qiu, Wenfeng; Zhang, Hengjun; Gao, Xike; Liu, Ying; Qi, Ting; Lu, Kun; Yu, Gui","Anthra[2,3-b]benzo[d]thiophene: An Air-Stable Asymmetric Organic Semiconductor with High Mobility at Room Temperature","Chemistry of Materials","2008","20","13","4188","","10.1021/cm801305f","","","0.71073","MoKα","","0.0431","0.0386","","","0.0819","0.0851","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001249","6.419","0.002","8.081","0.003","6.116","0.002","102.1","0.02","95.89","0.02","106.87","0.03","292.29","0.18","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 S4 -","- C10 H12 S4 -","- C10 H12 S4 -","1","0.5","","Bando, Yoshimasa; Shirahata, Takashi; Shibata, Koji; Wada, Hiroshi; Mori, Takehiko; Imakubo, Tatsuro","Organic Field-Effect Transistors Based on Alkyl-Terminated Tetrathiapentalene (TTP) Derivatives","Chemistry of Materials","2008","20","16","5119","","10.1021/cm801404d","","","0.7107","MoKa","","","0.0435","","","","0.1466","","","","","","1.933","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001250","10.608","0.007","13.666","0.006","5.216","0.002","96.14","0.03","90","0.04","72.13","0.04","715.1","0.7","293.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H16 S4 -","- C14 H16 S4 -","- C28 H32 S8 -","2","1","","Bando, Yoshimasa; Shirahata, Takashi; Shibata, Koji; Wada, Hiroshi; Mori, Takehiko; Imakubo, Tatsuro","Organic Field-Effect Transistors Based on Alkyl-Terminated Tetrathiapentalene (TTP) Derivatives","Chemistry of Materials","2008","20","16","5119","","10.1021/cm801404d","","","0.7107","MoKa","","","0.0473","","","","0.1336","","","","","","1.371","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001251","6.6429","0.0013","10.541","0.002","16.573","0.003","83.88","0.03","86.2","0.03","84.05","0.03","1145.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H42 N4 -","- C60 H42 N4 -","- C60 H42 N4 -","1","0.5","","Li, Yupeng; Shen, Fangzhong; Wang, Huan; He, Feng; Xie, Zengqi; Zhang, Houyu; Wang, Zhiming; Liu, Linlin; Li, Feng; Hanif, Muddasir; Ye, Ling; Ma, Yuguang","Supramolecular Network Conducting the Formation of Uniaxially Oriented Molecular Crystal of Cyano Substituted Oligo(p-phenylene vinylene) and Its Amplified Spontaneous Emission (ASE) Behavior","Chemistry of Materials","2008","20","23","7312","","10.1021/cm801427s","","","0.71073","MoKα","","0.139","0.0644","","","0.1208","0.1505","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001252","17.257","0.003","4.1599","0.0006","17.49","0.003","90","","90","","90","","1255.6","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 In5 P5 -","- Ba2 In5 P5 -","- Ba8 In20 P20 -","4","0.5","","Mathieu, Josiah; Achey, Randall; Park, Ju-Hyun; Purcell, Kenneth M.; Tozer, Stanley W.; Latturner, Susan E.","Flux Growth and Electronic Properties of Ba2In5Pn5(Pn = P, As): Zintl Phases Exhibiting Metallic Behavior","Chemistry of Materials","2008","20","17","5675","","10.1021/cm8015353","","","0.71073","MoKα","","0.0464","0.0376","","","0.069","0.0718","","","","","","1.196","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001253","17.4609","0.0015","4.2905","0.0004","17.9614","0.0015","90","","90","","90","","1345.6","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As5 Ba2 In5 -","- As5 Ba2 In5 -","- As20 Ba8 In20 -","4","0.5","","Mathieu, Josiah; Achey, Randall; Park, Ju-Hyun; Purcell, Kenneth M.; Tozer, Stanley W.; Latturner, Susan E.","Flux Growth and Electronic Properties of Ba2In5Pn5(Pn = P, As): Zintl Phases Exhibiting Metallic Behavior","Chemistry of Materials","2008","20","17","5675","","10.1021/cm8015353","","","0.71073","MoKα","","0.0404","0.039","","","0.0844","0.085","","","","","","1.347","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001254","8.7184","0.0011","8.7184","0.0011","15.171","0.003","90","","90","","90","","1153.2","0.3","298","","298","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","tbfe4al9si6","","","- Al9 Fe4 Si6 Tb -","- Al9 Fe4 Si6 Tb -","- Al36 Fe16 Si24 Tb4 -","4","0.25","","Sieve, Bradley; Gray, Danielle L.; Henning, Robert; Bakas, Thomas; Schultz, Arthur J.; Kanatzidis, Mercouri G.","Al Flux Synthesis of the Oxidation-Resistant Quaternary Phase REFe4Al9Si6(RE = Tb, Er)","Chemistry of Materials","2008","20","19","6107","","10.1021/cm801554d","","","0.71073","MoKα","","0.0219","0.0202","","","0.0505","0.051","","","","","","1.273","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001255","8.7184","0.0011","8.7184","0.0011","15.171","0.003","90","","90","","90","","1153.2","0.3","298","","298","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","tbfe4al9si6","","","- Al9 Fe4 Si6 Tb -","- Al9 Fe4 Si6 Tb -","- Al36 Fe16 Si24 Tb4 -","4","0.25","","Sieve, Bradley; Gray, Danielle L.; Henning, Robert; Bakas, Thomas; Schultz, Arthur J.; Kanatzidis, Mercouri G.","Al Flux Synthesis of the Oxidation-Resistant Quaternary Phase REFe4Al9Si6(RE = Tb, Er)","Chemistry of Materials","2008","20","19","6107","","10.1021/cm801554d","","neutron","","neutron","","0.0493","0.0401","","","0.0915","0.0959","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001256","8.6882","0.0012","8.6882","0.0012","15.115","0.003","90","","90","","90","","1141","0.3","298","","298","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","ErFe4Al9Si6","","","- Al9 Er Fe4 Si6 -","- Al9 Er Fe4 Si6 -","- Al36 Er4 Fe16 Si24 -","4","0.25","","Sieve, Bradley; Gray, Danielle L.; Henning, Robert; Bakas, Thomas; Schultz, Arthur J.; Kanatzidis, Mercouri G.","Al Flux Synthesis of the Oxidation-Resistant Quaternary Phase REFe4Al9Si6(RE = Tb, Er)","Chemistry of Materials","2008","20","19","6107","","10.1021/cm801554d","","","0.71073","MoKα","","0.0256","0.0255","","","0.0656","0.0657","","","","","","1.351","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001257","14.501","0.003","15.714","0.003","18.541","0.004","90","","111.17","0.03","90","","3939.8","1.6","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H66 O8 Pt Si2 -","- C32 H66 O8 Pt Si2 -","- C128 H264 O32 Pt4 Si8 -","4","1","","Ruddy, Daniel A.; Jarupatrakorn, Jonggol; Rioux, Robert M.; Miller, Jeffrey T.; McMurdo, Meredith J.; McBee, Jennifer L.; Tupper, Karl A.; Tilley, T. Don","Site-Isolated Pt-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pt(II) and Pt(IV)","Chemistry of Materials","2008","20","20","6517","","10.1021/cm801598k","","","0.71073","MoKα","","0.0439","0.0343","","","0.0659","0.0679","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001258","11.299","0.003","15.75","0.004","15.849","0.004","90","","95.882","0.004","90","","2805.6","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H52 N2 O4 Pt Si -","- C21 H52 N2 O4 Pt Si -","- C84 H208 N8 O16 Pt4 Si4 -","4","1","","Ruddy, Daniel A.; Jarupatrakorn, Jonggol; Rioux, Robert M.; Miller, Jeffrey T.; McMurdo, Meredith J.; McBee, Jennifer L.; Tupper, Karl A.; Tilley, T. Don","Site-Isolated Pt-SBA15 Materials from Tris(tert-butoxy)siloxy Complexes of Pt(II) and Pt(IV)","Chemistry of Materials","2008","20","20","6517","","10.1021/cm801598k","","","0.71073","MoKα","","0.102","0.0514","","","0.1047","0.1283","","","","","","0.981","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001259","7.625","0.001","7.5488","0.0009","6.8453","0.0009","90","","112.029","0.013","90","","365.25","0.09","20","2","20","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","Copper(II) fluoride pyrazine hydrate","","","- C4 H8 Cu F2 N2 O2 -","- C4 H8 Cu F2 N2 O2 -","- C8 H16 Cu2 F4 N4 O4 -","2","0.5","","Manson, Jamie L.; Conner, Marianne M.; Schlueter, John A.; McConnell, Amber C.; Southerland, Heather I.; Malfant, Isabelle; Lancaster, Tom; Blundell, Stephen J.; Brooks, Michael L.; Pratt, Francis L.; Singleton, John; McDonald, Ross D.; Lee, Changhoon; Whangbo, Myung-Hwan","Experimental and Theoretical Characterization of the Magnetic Properties of CuF2(H2O)2(pyz) (pyz = pyrazine): A Two-Dimensional Quantum Magnet Arising from Supersuperexchange Interactions through Hydrogen Bonded Paths","Chemistry of Materials","2008","20","24","7408","","10.1021/cm8016566","","","0.71073","MoKα","","0.0265","0.0256","","","0.0712","0.0721","","","","","","1.188","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001260","7.6617","0.0012","7.5402","0.0013","6.8674","0.0011","90","","111.966","0.006","90","","367.93","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Copper(II) fluoride pyrazine hydrate","","","- C4 H8 Cu F2 N2 O2 -","- C4 H8 Cu F2 N2 O2 -","- C8 H16 Cu2 F4 N4 O4 -","2","0.5","","Manson, Jamie L.; Conner, Marianne M.; Schlueter, John A.; McConnell, Amber C.; Southerland, Heather I.; Malfant, Isabelle; Lancaster, Tom; Blundell, Stephen J.; Brooks, Michael L.; Pratt, Francis L.; Singleton, John; McDonald, Ross D.; Lee, Changhoon; Whangbo, Myung-Hwan","Experimental and Theoretical Characterization of the Magnetic Properties of CuF2(H2O)2(pyz) (pyz = pyrazine): A Two-Dimensional Quantum Magnet Arising from Supersuperexchange Interactions through Hydrogen Bonded Paths","Chemistry of Materials","2008","20","24","7408","","10.1021/cm8016566","","","0.71073","MoKα","","0.0239","0.0234","","","0.0831","0.0838","","","","","","1.219","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001261","7.6926","0.0006","7.5568","0.0006","6.897","0.0005","90","","111.065","0.003","90","","374.14","0.05","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Copper(II) fluoride pyrazine hydrate","","","- C4 H8 Cu F2 N2 O2 -","- C4 H8 Cu F2 N2 O2 -","- C8 H16 Cu2 F4 N4 O4 -","2","0.5","","Manson, Jamie L.; Conner, Marianne M.; Schlueter, John A.; McConnell, Amber C.; Southerland, Heather I.; Malfant, Isabelle; Lancaster, Tom; Blundell, Stephen J.; Brooks, Michael L.; Pratt, Francis L.; Singleton, John; McDonald, Ross D.; Lee, Changhoon; Whangbo, Myung-Hwan","Experimental and Theoretical Characterization of the Magnetic Properties of CuF2(H2O)2(pyz) (pyz = pyrazine): A Two-Dimensional Quantum Magnet Arising from Supersuperexchange Interactions through Hydrogen Bonded Paths","Chemistry of Materials","2008","20","24","7408","","10.1021/cm8016566","","","0.71073","MoKα","","0.0169","0.0159","","","0.0511","0.0519","","","","","","1.109","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001262","6.073","0.003","6.073","0.003","15.547","0.005","90","","90","","90","","573.4","0.4","298","2","298","2","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","","","- Ga12 La2 Ni -","- Ga12 La2 Ni -","- Ga24 La4 Ni2 -","2","0.125","","Cho, Jung Young; Millican, Jasmine N.; Capan, Cigdem; Sokolov, Dmitry A.; Moldovan, Monica; Karki, Amar B.; Young, David P.; Aronson, Meigan C.; Chan, Julia Y.","Crystal Growth, Structure, and Physical Properties ofLn2MGa12(Ln= La, Ce;M= Ni, Cu)","Chemistry of Materials","2008","20","19","6116","","10.1021/cm801693t","","","0.71073","MoKα","","0.0337","0.0272","","","0.0632","0.0662","","","","","","1.067","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001263","6.036","0.002","6.036","0.002","15.506","0.008","90","","90","","90","","564.9","0.4","298","2","298","2","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","","","- Ce2 Ga12 Ni -","- Ce2 Ga12 Ni -","- Ce4 Ga24 Ni2 -","2","0.125","","Cho, Jung Young; Millican, Jasmine N.; Capan, Cigdem; Sokolov, Dmitry A.; Moldovan, Monica; Karki, Amar B.; Young, David P.; Aronson, Meigan C.; Chan, Julia Y.","Crystal Growth, Structure, and Physical Properties ofLn2MGa12(Ln= La, Ce;M= Ni, Cu)","Chemistry of Materials","2008","20","19","6116","","10.1021/cm801693t","","","0.71073","MoKα","","0.0403","0.0298","","","0.0624","0.0664","","","","","","1.104","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001264","6.108","0.003","6.108","0.003","15.375","0.004","90","","90","","90","","573.6","0.4","298","2","298","2","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","","","- Ce2 Cu Ga12 -","- Ce2 Cu Ga12 -","- Ce4 Cu2 Ga24 -","2","0.125","","Cho, Jung Young; Millican, Jasmine N.; Capan, Cigdem; Sokolov, Dmitry A.; Moldovan, Monica; Karki, Amar B.; Young, David P.; Aronson, Meigan C.; Chan, Julia Y.","Crystal Growth, Structure, and Physical Properties ofLn2MGa12(Ln= La, Ce;M= Ni, Cu)","Chemistry of Materials","2008","20","19","6116","","10.1021/cm801693t","","","0.71073","MoKα","","0.0611","0.0558","","","0.1444","0.1503","","","","","","1.177","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001265","6.09","0.002","6.09","0.002","15.348","0.007","90","","90","","90","","569.2","0.4","90","2","90","2","","","","","","","","3","P 4/n b m :2","-P 4a 2b","125","","","","- Ce2 Cu Ga12 -","- Ce2 Cu Ga12 -","- Ce4 Cu2 Ga24 -","2","0.125","","Cho, Jung Young; Millican, Jasmine N.; Capan, Cigdem; Sokolov, Dmitry A.; Moldovan, Monica; Karki, Amar B.; Young, David P.; Aronson, Meigan C.; Chan, Julia Y.","Crystal Growth, Structure, and Physical Properties ofLn2MGa12(Ln= La, Ce;M= Ni, Cu)","Chemistry of Materials","2008","20","19","6116","","10.1021/cm801693t","","","0.71073","MoKα","","0.0567","0.0433","","","0.1045","0.1114","","","","","","1.093","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001266","15.951","0.001","15.951","0.001","12.006","0.001","90","","90","","90","","3054.7","0.4","150","0.1","150","0.1","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C60 H68 Cu4 I4 P4 -","- C54 H64 Cu4 I4 P4 -","- C108 H128 Cu8 I8 P8 -","2","0.125","","Tard, Cédric; Perruchas, Sandrine; Maron, Sébastien; Le Goff, Xavier F.; Guillen, François; Garcia, Alain; Vigneron, Jacky; Etcheberry, Arnaud; Gacoin, Thierry; Boilot, Jean-Pierre","Thermochromic Luminescence of Sol−Gel Films Based on Copper Iodide Clusters","Chemistry of Materials","2008","20","22","7010","","10.1021/cm801780g","","","0.71069","MoKα","","0.0861","0.0731","","","0.1953","0.2144","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001267","10.32421","0.00013","6.00449","0.00007","4.6983","0.00006","90","","90","","90","","291.255","0.006","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.99 Li0.9 O4 P Zr0.03 -","- Fe0.987 Li0.8953 O4 P Zr0.0316 -","- Fe3.948 Li3.5812 O16 P4 Zr0.1264 -","4","0.5","","Wagemaker, Marnix; Ellis, Brian L.; Lützenkirchen-Hecht, Dirk; Mulder, Fokko M.; Nazar, Linda F.","Proof of Supervalent Doping in Olivine LiFePO4","Chemistry of Materials","2008","20","20","6313","","10.1021/cm801781k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001268","9.81363","","5.81776","","4.78301","","90","","90","","90","","273.078","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe1.08 O4 P -","- Fe1.08312 O4 P -","- Fe4.33248 O16 P4 -","4","0.5","","Wagemaker, Marnix; Ellis, Brian L.; Lützenkirchen-Hecht, Dirk; Mulder, Fokko M.; Nazar, Linda F.","Proof of Supervalent Doping in Olivine LiFePO4","Chemistry of Materials","2008","20","20","6313","","10.1021/cm801781k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001269","10.31181","0.00016","5.99753","0.0001","4.69673","0.00007","90","","90","","90","","290.471","0.008","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Fe0.99 Li0.97 O4 P Zr0.01 -","- Fe0.993 Li0.973 O4 P Zr0.0085 -","- Fe3.972 Li3.892 O16 P4 Zr0.034 -","4","0.5","","Wagemaker, Marnix; Ellis, Brian L.; Lützenkirchen-Hecht, Dirk; Mulder, Fokko M.; Nazar, Linda F.","Proof of Supervalent Doping in Olivine LiFePO4","Chemistry of Materials","2008","20","20","6313","","10.1021/cm801781k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001270","9.3243","0.0018","11.391","0.002","8.4009","0.0016","90","","90","","90","","892.3","0.3","150","2","150","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C4 H14 F5 In N2 -","- C4 H14 F5 In N2 -","- C16 H56 F20 In4 N8 -","4","0.25","","Jayasundera, Anil C. A.; Finch, Adrian A.; Wormald, Philip; Lightfoot, Philip","Solvothermal Synthesis and Luminescent Properties of Two Organically Templated Chain-Structure Fluorides, [C4H14N2][MF5] (M = In, Sc)","Chemistry of Materials","2008","20","21","6810","","10.1021/cm802049d","","","0.7749","synchrotron","","0.0271","0.0254","","","0.0677","0.0702","","","","","","0.965","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001271","9.353","0.003","11.433","0.001","8.226","0.004","90","","90","","90","","879.6","0.5","93","2","93","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C4 H14 F5 N2 Sc -","- C4 H14 F5 N2 Sc -","- C16 H56 F20 N8 Sc4 -","4","0.25","","Jayasundera, Anil C. A.; Finch, Adrian A.; Wormald, Philip; Lightfoot, Philip","Solvothermal Synthesis and Luminescent Properties of Two Organically Templated Chain-Structure Fluorides, [C4H14N2][MF5] (M = In, Sc)","Chemistry of Materials","2008","20","21","6810","","10.1021/cm802049d","","","0.71073","MoKα","","0.0571","0.0415","","","0.1173","0.1656","","","","","","1.906","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001272","12.5108","0.001","8.393","0.0013","7.0438","0.001","90","","90","","90","","739.62","0.17","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","8.4 Angstrom phase","","","- Cl2 O13 Yb4 -","- Cl2 O13 Yb4 -","- Cl4 O26 Yb8 -","2","0.5","","Poudret, Leslie; Prior, Timothy J.; McIntyre, Laura J.; Fogg, Andrew M.","Synthesis and Crystal Structures of New Lanthanide Hydroxyhalide Anion Exchange Materials, Ln2(OH)5X·1.5H2O (X = Cl, Br; Ln = Y, Dy, Er, Yb)","Chemistry of Materials","2008","20","24","7447","","10.1021/cm802301a","","","0.6943","synchrotron","","0.041","0.033","","","0.0685","0.0733","","","","","","1.178","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001273","6.9438","0.0009","8.2773","0.001","19.208","0.002","79.69","0.002","80.961","0.002","68.408","0.002","1004.9","0.2","209","2","209","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C50 H38 N6 O4 -","2","1","","Xiong, Ying; Tang, Hongding; Zhang, Jidong; Wang, Zhi Yuan; Campo, Jochen; Wenseleers, Wim; Goovaerts, Etienne","Functionalized Picolinium Quinodimethane Chromophores for Electro-Optics: Synthesis, Aggregation Behavior, and Nonlinear Optical Properties","Chemistry of Materials","2008","20","24","7465","","10.1021/cm802341j","","","0.71073","MoKα","","0.1045","0.0591","","","0.1222","0.1387","","","","","","0.975","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001274","17.6356","0.0005","48.0644","0.0013","24.5539","0.0007","90","","90","","90","","20813","1","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","TIF-2","TIF-2","","- C10.46 H15 N4 Zn -","- C10.6317 N4 Zn -","- C510.32 N192 Zn48 -","48","6","","Wu, Tao; Bu, Xianhui; Zhang, Jian; Feng, Pingyun","New Zeolitic Imidazolate Frameworks: From Unprecedented Assembly of Cubic Clusters to Ordered Cooperative Organization of Complementary Ligands","Chemistry of Materials","2008","20","24","7377","","10.1021/cm802400f","","","0.71073","MoKα","","0.14","0.0955","","","0.2511","0.2742","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001275","25.9164","0.001","24.8826","0.001","17.9542","0.0006","90","","93.206","0.003","90","","11560","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","TIF-3","TIF-3","","- C9.13 H0 N4 Zn -","- C9.125 N4 Zn -","- C292 N128 Zn32 -","32","4","","Wu, Tao; Bu, Xianhui; Zhang, Jian; Feng, Pingyun","New Zeolitic Imidazolate Frameworks: From Unprecedented Assembly of Cubic Clusters to Ordered Cooperative Organization of Complementary Ligands","Chemistry of Materials","2008","20","24","7377","","10.1021/cm802400f","","","0.71073","MoKα","","0.1988","0.127","","","0.3227","0.3615","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001276","15.6251","0.0009","16.3217","0.0009","18.1244","0.001","90","","90","","90","","4622.2","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TIF-4","TIF-4","","- C11.5 H11 N4 Zn -","- C11.5 H11 N4 Zn -","- C184 H176 N64 Zn16 -","16","2","","Wu, Tao; Bu, Xianhui; Zhang, Jian; Feng, Pingyun","New Zeolitic Imidazolate Frameworks: From Unprecedented Assembly of Cubic Clusters to Ordered Cooperative Organization of Complementary Ligands","Chemistry of Materials","2008","20","24","7377","","10.1021/cm802400f","","","0.71073","MoKα","","0.0882","0.0709","","","0.2216","0.2448","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001277","16.7862","0.0002","16.7862","0.0002","21.3384","0.0005","90","","90","","90","","6012.66","0.17","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","TIF-5Zn","TIF-5Zn","","- C12 H18 N4 O3 Zn -","- C12 H12 N4 O0.99 Zn -","- C192 H192 N64 O15.84 Zn16 -","16","1","","Wu, Tao; Bu, Xianhui; Zhang, Jian; Feng, Pingyun","New Zeolitic Imidazolate Frameworks: From Unprecedented Assembly of Cubic Clusters to Ordered Cooperative Organization of Complementary Ligands","Chemistry of Materials","2008","20","24","7377","","10.1021/cm802400f","","","0.71073","MoKα","","0.1254","0.0938","","","0.2741","0.2959","","","","","","1.175","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001278","16.6286","0.0002","16.6286","0.0002","21.4148","0.0004","90","","90","","90","","5921.41","0.15","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","TIF-5Co","TIF-5Co","","- C12 H18 Co N4 O3 -","- C12 H12 Co N4 O -","- C192 H192 Co16 N64 O16 -","16","1","","Wu, Tao; Bu, Xianhui; Zhang, Jian; Feng, Pingyun","New Zeolitic Imidazolate Frameworks: From Unprecedented Assembly of Cubic Clusters to Ordered Cooperative Organization of Complementary Ligands","Chemistry of Materials","2008","20","24","7377","","10.1021/cm802400f","","","0.71073","MoKα","","0.0896","0.0652","","","0.1927","0.2156","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001279","17.4113","0.0014","25.125","0.0017","19.4361","0.0017","90","","108.493","0.004","90","","8063.4","1.1","123.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C99 H72 Cl2 N6 O2 S2 -","- C99 H72 Cl2 N6 O2 S2 -","- C396 H288 Cl8 N24 O8 S8 -","4","0.5","","Nakanishi, Tatsuaki; Kojima, Takahiko; Ohkubo, Kei; Hasobe, Taku; Nakayama, Ken-ichi; Fukuzumi, Shunichi","Photoconductivity of Porphyrin Nanochannels Composed of Diprotonated Porphyrin Dications with Saddle Distortion and Electron Donors","Chemistry of Materials","2008","20","24","7492","","10.1021/cm802460t","","","0.7107","MoKα","","","0.0904","","","","0.2218","","","","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001280","8.155","0.002","13.526","0.006","5.9648","0.0015","90","","90","","90","","657.9","0.4","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- S3 Te Tl2 -","- S3 Te Tl2 -","- S12 Te4 Tl8 -","4","0.5","","Rieger, Franziska; Mudring, Anja-Verena","Synthesis, Structure, and Electronic and Physical Properties of Tl2TeS3, the First Characterized Thallium(I) Thiotellurate(IV)","Chemistry of Materials","2007","19","2","221","","10.1021/cm0526866","","","0.71073","MoKα","","0.1088","0.0541","","","0.0997","0.1136","","","","","","0.891","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001281","4.9407","0.0007","8.5277","0.0006","5.0184","0.0006","90","","109.141","0.015","90","","199.75","0.04","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li1.33 Mn0.67 O2 -","- Li1.33333 Mn0.666667 O2 -","- Li8 Mn4 O12 -","6","0.75","","Ngala, J. Katana; Alia, Shaun; Dobley, Arthur; Crisostomo, Vincent Mark B.; Suib, Steven L.","Characterization and Electrocatalytic Behavior of Layered Li2MnO3and Its Acid-Treated Form","Chemistry of Materials","2007","19","2","229","","10.1021/cm0616937","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.11392","","3.2","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001282","5.0512","0.0012","8.7065","0.0018","4.9045","0.0009","90","","109.196","0.016","90","","203.7","0.08","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Li0.11 Mn0.34 O -","- Li0.106333 Mn0.33762 O -","- Li1.276 Mn4.05144 O12 -","12","1.5","","Ngala, J. Katana; Alia, Shaun; Dobley, Arthur; Crisostomo, Vincent Mark B.; Suib, Steven L.","Characterization and Electrocatalytic Behavior of Layered Li2MnO3and Its Acid-Treated Form","Chemistry of Materials","2007","19","2","229","","10.1021/cm0616937","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.12214","","1.98","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001283","10.864","0.002","4.448","0.0009","4.2396","0.0008","90","","90","","90","","204.87","0.07","293","2","293","2","","","","","","","","3","P m n 21","P 2ac -2","31","β-Tin-tetraborate","Tin (II) - tetraborate","","- B4 O7 Sn -","- B4 O7 Sn -","- B8 O14 Sn2 -","2","0.5","","Knyrim, Johanna S.; Schappacher, Falko M.; Pöttgen, Rainer; Schmedt auf der Günne, Jörn; Johrendt, Dirk; Huppertz, Hubert","Pressure-Induced Crystallization and Characterization of the Tin Borate β-SnB4O7","Chemistry of Materials","2007","19","2","254","","10.1021/cm061946w","","","0.71073","MoKα","","0.0155","0.0145","","","0.0322","0.0324","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001284","21.496","0.004","30.23","0.006","25.858","0.005","90","","104.85","0.03","90","","16242","6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C191.26 H120 Mo6 N8 O19.5 -","- C191.194 H120 Mo5.9996 N8 O19.6102 -","- C764.776 H480 Mo23.9984 N32 O78.4408 -","4","0.5","","Kojima, Takahiko; Harada, Ryosuke; Nakanishi, Tatsuaki; Kaneko, Kenji; Fukuzumi, Shunichi","Porphyrin Nanotubes Based on Self-Assembly of Mo(V)−Dodecaphenylporphyrin Complexes and Inclusion of Mo−Oxo Clusters: Synthesis and Characterization by X-ray Crystallography and Transmission Electron Microscopy","Chemistry of Materials","2007","19","1","51","","10.1021/cm062031k","","","0.71073","MoKα","","0.0638","0.0605","","","0.1298","0.1315","","","","","","1.175","","","","has coordinates,has disorder","286259","2023-09-07","05:54:21",""
"4001285","5.8904","0.0003","7.6297","0.0004","8.154","0.0004","90","","90","","90","","366.46","0.03","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H2 Na Np O4 -","- H2 Na Np O4 -","- H8 Na4 Np4 O16 -","4","1","","Almond, Philip M.; Skanthakumar, S.; Soderholm, L.; Burns, Peter C.","Cation−Cation Interactions and Antiferromagnetism in Na[Np(V)O2(OH)2]: Synthesis, Structure, and Magnetic Properties","Chemistry of Materials","2007","19","2","280","","10.1021/cm0621040","","","0.71073","MoKα","","0.0161","0.0152","","","0.0349","0.0351","","","","","","1.041","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001286","7.4158","0.0009","4.618","0.0009","7.8577","0.0008","90","","90","","90","","269.1","0.07","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Rh Sb -","- Ce Rh Sb -","- Ce4 Rh4 Sb4 -","4","0.5","","Chevalier, B.; Decourt, R.; Heying, B.; Schappacher, F. M.; Rodewald, U. Ch.; Hoffmann, R.-D.; Pöttgen, R.; Eger, R.; Simon, A.","Inducing Magnetism in the Kondo Semiconductor CeRhSb through Hydrogenation: Antiferromagnetic Behavior of the New Hydride CeRhSbH0.2","Chemistry of Materials","2007","19","1","28","","10.1021/cm062168a","","","0.71073","MoKα","","0.0661","0.0434","","","0.0873","0.096","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001287","7.422","0.002","4.625","0.002","7.877","0.002","90","","90","","90","","270.39","0.15","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce Rh Sb -","- Ce Rh Sb -","- Ce4 Rh4 Sb4 -","4","0.5","","Chevalier, B.; Decourt, R.; Heying, B.; Schappacher, F. M.; Rodewald, U. Ch.; Hoffmann, R.-D.; Pöttgen, R.; Eger, R.; Simon, A.","Inducing Magnetism in the Kondo Semiconductor CeRhSb through Hydrogenation: Antiferromagnetic Behavior of the New Hydride CeRhSbH0.2","Chemistry of Materials","2007","19","1","28","","10.1021/cm062168a","","","0.71073","MoKα","","0.0723","0.0561","","","0.1409","0.1444","","","","","","1.224","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001288","8.1795","0.0015","14.494","0.003","26.543","0.004","90","","97.8","0.013","90","","3117.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Br N O -","- C14 H28 Br N O -","- C112 H224 Br8 N8 O8 -","8","2","","Villaescusa, L. A.; Díaz, I.; Barrett, P. A.; Nair, S.; LLoris-Cormano, J. M.; Martínez-Mañez, R.; Tsapatsis, M.; Liu, Z.; Terasaki, O.; Camblor, M. A.","Pure Silica Large Pore Zeolite ITQ-7: Synthetic Strategies, Structure-Directing Effects, and Control and Nature of Structural Disorder","Chemistry of Materials","2007","19","7","1601","","10.1021/cm0622248","","","0.71073","MoKα","","0.1037","0.0581","","0.1958","0.1425","","","","1.085","1.109","1.109","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001289","24.9728","0.0006","24.9728","0.0006","9.8957","0.0002","90","","90","","90","","6171.4","0.2","200","2","200","2","","","","","","","synthesis as described","5","I 4 c m","I 4 -2c","108","","","","- C30 H112 Ge36 N10 O92 -","- C30 H112 Ge36 N10 O92 -","- C60 H224 Ge72 N20 O184 -","2","0.125","","Attfield, Martin P.; Al-Ebini, Yousef; Pritchard, Robin G.; Andrews, Ellen M.; Charlesworth, Richard J.; Hung, Wan; Masheder, Ben J.; Royal, Drew S.","Synthesis and Characterization of a Novel Germanate Material Containing 16-Ring Channels and Templated by a Simple Primary Amine","Chemistry of Materials","2007","19","2","316","","10.1021/cm062241x","","x-ray","0.71073","MoKα","","0.0347","0.027","","","0.0577","0.0598","","","","","","0.973","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001290","16.4891","0.0009","3.9705","0.0002","21.1266","0.0011","90","","90","","90","","1383.16","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium erbium sulfide","","","- Ce3 Er3 S9 -","- Ce3 Er3 S9 -","- Ce12 Er12 S36 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0292","0.027","","","0.0667","0.0675","","","","","","1.108","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001291","16.4591","0.0013","3.9704","0.0003","21.0908","0.0017","90","","90","","90","","1378.27","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium thulium sulfide","","","- Ce3 S9 Tm3 -","- Ce3 S9 Tm3 -","- Ce12 S36 Tm12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0338","0.03","","","0.0719","0.0735","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001292","16.3678","0.001","3.9562","0.0002","21.0577","0.0012","90","","90","","90","","1363.58","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cerium ytterbium sulfide","","","- Ce3 S9 Yb3 -","- Ce3 S9 Yb3 -","- Ce12 S36 Yb12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0297","0.0286","","","0.0798","0.0803","","","","","","1.196","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001293","16.5102","0.001","3.9963","0.0002","21.2597","0.0013","90","","90","","90","","1402.71","0.14","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum erbium sulfide","","","- Er3 La3 S9 -","- Er3 La3 S9 -","- Er12 La12 S36 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0328","0.0297","","","0.068","0.0692","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001294","16.45","0.0009","3.9877","0.0002","21.2148","0.0012","90","","90","","90","","1391.64","0.13","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum thulium sulfide","","","- La3 S9 Tm3 -","- La3 S9 Tm3 -","- La12 S36 Tm12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0338","0.0282","","","0.0727","0.0744","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001295","16.41","0.0013","3.9847","0.0003","21.2015","0.0017","90","","90","","90","","1386.34","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","lanthanum ytterbium sulfide","","","- La3 S9 Yb3 -","- La3 S9 Yb3 -","- La12 S36 Yb12 -","4","0.5","","Jin, Geng Bang; Choi, Eun Sang; Guertin, Robert P.; Brooks, James S.; Bray, Travis H.; Booth, Corwin H.; Albrecht-Schmitt, Thomas E.","Syntheses, Structure, Magnetism, and Optical Properties of the Ordered Mixed-Lanthanide Sulfides γ-LnLn‘S3(Ln = La, Ce; Ln‘ = Er, Tm, Yb)","Chemistry of Materials","2007","19","3","567","","10.1021/cm062349c","","","0.71073","MoKα","","0.0383","0.0328","","","0.066","0.0672","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001296","6.4703","0.0013","12.839","0.0007","20.797","0.004","90","","90","","90","","1727.7","0.5","293","2","293","2","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C4 H14 Cl2 I4 N2 Pb -","- C4 H14 Cl2 I4 N2 Pb -","- C16 H56 Cl8 I16 N8 Pb4 -","4","0.5","","Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Boucher, Florent; Buzaré, Jean-Yves; Legein, Christophe","Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface","Chemistry of Materials","2007","19","3","600","","10.1021/cm062380e","","x-ray","0.71073","MoKα","","","0.0395","","","","0.0984","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001297","8.7534","0.001","8.747","0.001","12.72","0.002","90","","97.63","0.01","90","","965.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C4 H14 I6 N2 Pb -","- C4 H14 I6 N2 Pb -","- C8 H28 I12 N4 Pb2 -","2","0.5","","Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Boucher, Florent; Buzaré, Jean-Yves; Legein, Christophe","Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface","Chemistry of Materials","2007","19","3","600","","10.1021/cm062380e","","x-ray","0.71073","MoKα","","","0.0339","","","","0.072","","","","","","0.961","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001298","9.1263","0.001","9.1429","0.001","21.45","0.002","90","","98.65","0.001","90","","1769.4","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Br2 I4 N2 Pb -","- C4 H14 Br2 I4 N2 Pb -","- C16 H56 Br8 I16 N8 Pb4 -","4","0.5","","Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Boucher, Florent; Buzaré, Jean-Yves; Legein, Christophe","Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface","Chemistry of Materials","2007","19","3","600","","10.1021/cm062380e","","x-ray","0.71073","MoKα","","","0.0408","","","","0.1032","","","","","","1.053","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001299","6.4824","0.0003","12.9046","0.0008","21.1409","0.0016","90","","90","","90","","1768.5","0.19","293","2","293","2","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C4 H14 Br2 I4 N2 Pb -","- C4 H14 Br2 I4 N2 Pb -","- C16 H56 Br8 I16 N8 Pb4 -","4","0.5","","Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Boucher, Florent; Buzaré, Jean-Yves; Legein, Christophe","Reduced Band Gap Hybrid Perovskites Resulting from Combined Hydrogen and Halogen Bonding at the Organic−Inorganic Interface","Chemistry of Materials","2007","19","3","600","","10.1021/cm062380e","","x-ray","0.71073","MoKα","","0.0621","0.0396","","","0.0816","0.0894","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001300","13.609","0.002","27.181","0.005","13.617","0.003","90","","92.463","0.012","90","","5032.4","1.6","173","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 N14 O13 Zn4 -","- C38 H34 N14 O13 Zn4 -","- C152 H136 N56 O52 Zn16 -","4","1","","Park, Hyunsoo; Britten, James F.; Mueller, Ulrich; Lee, JeongYong; Li, Jing; Parise, John B.","Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal−Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid","Chemistry of Materials","2007","19","6","1302","","10.1021/cm0623918","","","0.71073","MoKα","","0.265","0.1033","","","0.2347","0.2742","","","","","","0.942","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001301","30.978","0.006","12.62","0.003","13.339","0.003","90","","90","","90","","5215","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H34 N14 O14 Zn4 -","- C38 H34 N14 O14 Zn4 -","- C152 H136 N56 O56 Zn16 -","4","1","","Park, Hyunsoo; Britten, James F.; Mueller, Ulrich; Lee, JeongYong; Li, Jing; Parise, John B.","Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal−Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid","Chemistry of Materials","2007","19","6","1302","","10.1021/cm0623918","","x-ray","0.49594","synchrotron","","0.117","0.1103","","","0.2743","0.2837","","","","","","1.236","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001302","5.566661","0.000021","5.566118","0.000021","7.919158","0.000017","89.9907","0.0019","89.9723","0.0009","89.9962","0.0018","245.373","0.0014","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- Mg Mo O6 Sr2 -","- Mg Mo O6 Sr2 -","- Mg2 Mo2 O12 Sr4 -","2","","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001303","5.3954","0.0004","5.3954","","12.0264","0.0018","90","","90","","90","","350.09","0.06","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Mo O4 Sr -","- Mo O4 Sr -","- Mo4 O16 Sr4 -","4","0.25","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001304","5.56906","0.00004","5.57039","0.00004","7.92407","0.00005","89.978","0.006","90.01","0.004","90.015","0.0034","245.819","0.003","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- Mg Mo O6 Sr2 -","- Mg Mo O6.0018 Sr2 -","- Mg2 Mo2 O12.0036 Sr4 -","2","","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","neutron","","","","","","","","","","0.04862","","2.11","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001305","5.569801","0.000016","5.569576","0.000016","7.923807","0.000017","89.9878","0.0012","89.9992","0.0022","90.0048","0.0016","245.808","0.0011","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- Mg0.5 Mo0.5 O3 Sr -","- Mg0.5 Mo0.5 O3 Sr -","- Mg2 Mo2 O12 Sr4 -","4","","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001306","5.4113","0.0015","5.4113","","12.056","0.006","90","","90","","90","","353","0.2","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Mo O4 Sr -","- Mo O4 Sr -","- Mo4 O16 Sr4 -","4","0.25","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001307","5.572983","0.000031","5.5775","0.00004","7.92131","0.00004","89.9397","0.0008","90.0234","0.0009","89.9524","0.0007","246.22","0.003","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- Mg Mo O5.97 Sr2 -","- Mg Mo O5.968 Sr2 -","- Mg2 Mo2 O11.936 Sr4 -","2","","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001308","3.14683","0.0001","3.14683","","3.14683","","90","","90","","90","","31.1616","0.001","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001309","4.21214","0.00006","4.21214","","4.21214","","90","","90","","90","","74.7323","0.0011","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001310","3.95288","0.00015","3.95288","","20.437","0.005","90","","90","","90","","319.33","0.08","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Mg0.14 Mo0.52 O2.15 Sr -","- Mg0.143867 Mo0.5228 O2.15167 Sr -","- Mg0.8632 Mo3.1368 O12.91 Sr6 -","6","0.1875","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001311","4.93095","","4.93095","","4.93095","","90","","90","","90","","119.892","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- O Sr -","- O Sr -","- O4 Sr4 -","4","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001312","5.571514","0.000015","5.57772","0.00004","7.92034","0.00004","89.8921","0.0007","89.987","0.0003","89.923","0.0005","246.135","0.002","","","","","","","","","","","","4","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","","- Mg0.5 Mo0.5 O3 Sr -","- Mg0.5 Mo0.5 O3 Sr -","- Mg2 Mo2 O12 Sr4 -","4","","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001313","3.146092","0.00003","3.146092","","3.146092","","90","","90","","90","","31.1397","0.0003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001314","4.21041","0.00015","4.21041","","4.21041","","90","","90","","90","","74.64","0.003","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001315","3.938952","0.000008","3.938952","","20.365","0.004","90","","90","","90","","315.97","0.06","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Mg0.43 Mo1.57 O7 Sr3 -","- Mg0.432 Mo1.568 O7 Sr3 -","- Mg0.864 Mo3.136 O14 Sr6 -","2","0.0625","","Bernuy-Lopez, Carlos; Allix, Mathieu; Bridges, Craig A.; Claridge, John B.; Rosseinsky, Matthew J.","Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction","Chemistry of Materials","2007","19","5","1035","","10.1021/cm0624116","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001316","3.1932","0.0015","3.1932","0.0015","5.185","0.003","90","","90","","120","","45.79","0.04","100","2","100","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Ga0.96 Mn0.04 N -","- Ga0.96 Mn0.04 N -","- Ga1.92 Mn0.08 N2 -","2","0.166667","","Kaminski, Michal; Podsiadlo, Slawomir; Dominik, Pawel; Wozniak, Krzysztof; Dobrzycki, Lukasz; Jakiela, Rafal; Barcz, Adam; Psoda, Marek; Mizera, Jaroslaw; Bacewicz, Rajmund; Zajac, Marcin; Twardowski, Andrzej","New Chemical Method of Obtaining Thick Ga1-xMnxN Layers: Prospective Spintronic Material","Chemistry of Materials","2007","19","13","3139","","10.1021/cm062459j","","","0.71073","MoKα","","0.0111","0.0084","","","0.0198","0.0201","","","","","","1.32","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001317","7.3803","0.0007","9.1577","0.0008","17.0898","0.0016","90","","90","","90","","1155.04","0.18","193","2","193","2","","","","","","","","5","I m m m","-I 2 2","71","potassium uranyl vanadium phosphate","","","- K3.48 O26 P5 U V4 -","- K3.476 O26 P5 U V4 -","- K6.952 O52 P10 U2 V8 -","2","0.125","","Shvareva, Tatiana Y.; Skanthakumar, S.; Soderholm, L.; Clearfield, Abraham; Albrecht-Schmitt, Thomas E.","Cs±Selective Ion Exchange and Magnetic Ordering in a Three-Dimensional Framework Uranyl Vanadium(IV) Phosphate","Chemistry of Materials","2007","19","2","132","","10.1021/cm062490l","","","0.71073","MoKα","","0.0277","0.0258","","","0.0617","0.0622","","","","","","1.093","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001318","6.42072","0.00012","6.42072","","10.67623","0.00021","90","","90","","90","","440.134","0.012","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- F Na3 O10.37 P2 Ti2 -","- F Na3 O10.3688 P2 Ti2 -","- F2 Na6 O20.7375 P4 Ti4 -","2","0.0625","","Yang, Sihai; Li, Guobao; You, Liping; Tao, Julian; Loong, Chun-K.; Tian, Shujian; Liao, Fuhui; Lin, Jianhua","Na3[Ti2P2O10F]: A New Oxyfluorinated Titanium Phosphate with an Ionic Conductive Property","Chemistry of Materials","2007","19","4","942","","10.1021/cm062513w","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001319","19.403","0.003","5.8078","0.0005","17.032","0.002","90","","113.424","0.015","90","","1761.1","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(5-bromothioph-2-yl)-2-(2-(5-bromothiophen-2-yl)- 1,3-dioxolan-2-yl)ethyl)-1,3-dioxolane","","- C16 H16 Br2 O4 S2 -","- C16 H16 Br2 O4 S2 -","- C64 H64 Br8 O16 S8 -","4","0.5","","Ellinger, Stefan; Ziener, Ulrich; Thewalt, Ulf; Landfester, Katharina; Möller, Martin","Synthesis and Self-Organization of α,ω-Substituted Oligothiophenes with Long, Branched Alkyl Substituents","Chemistry of Materials","2007","19","5","1070","","10.1021/cm062589s","","","0.71073","MoKα","","0.0498","0.0291","","","0.0541","0.0579","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001320","10.059","0.002","8.225","0.0018","8.6557","0.0019","90","","114.62","0.002","90","","651","0.2","294","2","294","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- Cd Na2 O8 S2 -","- Cd Na2 O8 S2 -","- Cd4 Na8 O32 S8 -","4","0.5","","Swain, Diptikanta; Guru Row, Tayur N.","Structure, Ionic Conduction and Dielectric Relaxation in a Novel Fast Ion Conductor, Na2Cd(SO4)2","Chemistry of Materials","2007","19","3","347","","10.1021/cm0626637","","","0.71073","MoKα","","0.0184","0.0182","","","0.0466","0.0468","","","","","","1.148","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001321","8.0795","0.0005","23.465","0.0014","13.1145","0.0008","90","","93.062","0.001","90","","2482.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1158 cs SKA161 Ir(PhPy)2(OxNO2) xx1","(OC-6-42)-bis(κ^2^(C^2^,N)-2-phenylpyridine) (κ^2^(N,O)-5-nitro-8-quinolinolate)iridium(III)","","- C31 H21 Ir N4 O3 -","- C31 H21 Ir N4 O3 -","- C124 H84 Ir4 N16 O12 -","4","1","","Kappaun, Stefan; Sax, Stefan; Eder, Sabrina; Möller, Kai C.; Waich, Kerstin; Niedermair, Fabian; Saf, Robert; Mereiter, Kurt; Jacob, Josemon; Müllen, Klaus; List, Emil J. W.; Slugovc, Christian","8-Quinolinolates as Ligands for Luminescent Cyclometalated Iridium Complexes","Chemistry of Materials","2007","19","6","1209","","10.1021/cm062666j","","","0.71073","MoKα","","0.0591","0.0485","","","0.1022","0.1083","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001322","7.984","0.002","7.984","0.002","7.688","0.002","90","","90","","120","","424.41","0.19","410","","410","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ag10 Br3 Te4 -","- Ag9.988 Br3 Te4.026 -","- Ag9.988 Br3 Te4.026 -","1","0.0416667","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71073","MoKα","","0.0707","0.0308","","","0.0638","0.0709","","","","1.7","1.7","1.19","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001323","13.748","0.002","13.748","0.002","15.383","0.002","90","","90","","120","","2518","0.6","340","","340","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag10 Br3 Te4 -","- Ag10.0087 Br3 Te4.00933 -","- Ag60.052 Br18 Te24.056 -","6","0.25","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71073","MoKα","","0.1531","0.0369","","","0.0536","0.0696","","","","1.36","1.36","0.82","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001324","15.374","0.001","15.772","0.001","13.715","0.001","90","","90","","90","","3325.6","0.4","","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ag10 Br3 Te4 -","- Ag10 Br3 Te4 -","- Ag80 Br24 Te32 -","8","0.5","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71073","MoKα","","0.1374","0.058","","","0.0629","0.0688","","","","1.9","1.9","1.25","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001325","15.4004","0.0009","15.6539","0.0012","13.6987","0.0008","90","","90","","90","","3302.4","0.4","223","","223","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ag10 Br3 Te4 -","- Ag10 Br3 Te4 -","- Ag80 Br24 Te32 -","8","1","","Lange, Stefan; Bawohl, Melanie; Wilmer, Dirk; Meyer, Hinrich-Wilhelm; Wiemhöfer, Hans-Dieter; Nilges, T.","Polymorphism, Structural Frustration, and Electrical Properties of the Mixed Conductor Ag10Te4Br3","Chemistry of Materials","2007","19","6","1401","","10.1021/cm062731p","","","0.71071","MoKα","","0.0532","0.0346","","","0.0524","0.0541","","","","1.51","1.51","1.27","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001326","21.881","0.011","7.07","0.003","26.967","0.013","90","","90","","90","","4172","3","294","2","294","2","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C128 H156 Co12 O114 Zn8 -","- C128 H88 Co12 O114 Zn8 -","- C128 H88 Co12 O114 Zn8 -","1","0.125","","Chen, Pang-Kuan; Che, Yun-Xia; Zheng, Ji-Min; Batten, Stuart R.","Heteropolynuclear Metamagnet Showing Spin Canting and Single-Crystal to Single-Crystal Phase Transformation","Chemistry of Materials","2007","19","9","2162","","10.1021/cm062801s","","","0.71073","MoKα","","0.1479","0.126","","","0.2851","0.2947","","","","","","1.319","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001327","6.9872","0.0014","26.781","0.005","21.822","0.004","90","","92.1","0.03","90","","4080.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C128 H156 Co12 O114 Zn8 -","- C128 H120 Co12 O114 Zn8 -","- C128 H120 Co12 O114 Zn8 -","1","0.25","","Chen, Pang-Kuan; Che, Yun-Xia; Zheng, Ji-Min; Batten, Stuart R.","Heteropolynuclear Metamagnet Showing Spin Canting and Single-Crystal to Single-Crystal Phase Transformation","Chemistry of Materials","2007","19","9","2162","","10.1021/cm062801s","","","0.71073","MoKα","","0.0616","0.0517","","","0.1193","0.1231","","","","","","1.154","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001328","15.3536","0.0004","15.332","0.0004","21.82526","0.00031","90","","90.051","0.005","90","","5137.7","0.2","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Bi2 Hf2 O7 -","- Bi2 Hf2 O7 -","- Bi64 Hf64 O224 -","32","16","","Henderson, Stuart J.; Shebanova, Olga; Hector, Andrew L.; McMillan, Paul F.; Weller, Mark T.","Structural Variations in Pyrochlore-Structured Bi2Hf2O7, Bi2Ti2O7and Bi2Hf2-xTixO7Solid Solutions as a Function of Composition and Temperature by Neutron and X-ray Diffraction and Raman Spectroscopy","Chemistry of Materials","2007","19","7","1712","","10.1021/cm062864a","powder diffraction","neutron","","","","","","","","","","0.0286","","1.34","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001329","7.68966","0.000032","7.68966","","10.85169","0.00008","90","","90","","90","","641.67","0.005","","","","","","","","","","","","3","I 41 2 2","I 4bw 2bw","98","","","","- Bi2 Hf2 O7 -","- Bi2 Hf2 O7 -","- Bi8 Hf8 O28 -","4","0.25","","Henderson, Stuart J.; Shebanova, Olga; Hector, Andrew L.; McMillan, Paul F.; Weller, Mark T.","Structural Variations in Pyrochlore-Structured Bi2Hf2O7, Bi2Ti2O7and Bi2Hf2-xTixO7Solid Solutions as a Function of Composition and Temperature by Neutron and X-ray Diffraction and Raman Spectroscopy","Chemistry of Materials","2007","19","7","1712","","10.1021/cm062864a","powder diffraction","neutron","","","","","","","","","","0.09258","","1.24","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001330","10.877908","0.000025","10.877908","","10.877908","","90","","90","","90","","1287.17","0.003","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Bi2 Hf2 O7 -","- Bi2.00004 Hf2 O7 -","- Bi16.0003 Hf16 O56 -","8","0.0416667","","Henderson, Stuart J.; Shebanova, Olga; Hector, Andrew L.; McMillan, Paul F.; Weller, Mark T.","Structural Variations in Pyrochlore-Structured Bi2Hf2O7, Bi2Ti2O7and Bi2Hf2-xTixO7Solid Solutions as a Function of Composition and Temperature by Neutron and X-ray Diffraction and Raman Spectroscopy","Chemistry of Materials","2007","19","7","1712","","10.1021/cm062864a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001331","5.1501","0.0004","5.1852","0.0005","5.3418","0.0005","90","","98.948","0.007","90","","140.91","0.02","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Hf O2 -","- Hf O2 -","- Hf4 O8 -","4","1","","Henderson, Stuart J.; Shebanova, Olga; Hector, Andrew L.; McMillan, Paul F.; Weller, Mark T.","Structural Variations in Pyrochlore-Structured Bi2Hf2O7, Bi2Ti2O7and Bi2Hf2-xTixO7Solid Solutions as a Function of Composition and Temperature by Neutron and X-ray Diffraction and Raman Spectroscopy","Chemistry of Materials","2007","19","7","1712","","10.1021/cm062864a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001332","5.6963","0.0008","5.6963","0.0008","28.924","0.006","90","","90","","120","","812.8","0.2","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","barium cobalt oxide","","","- Ba6 Co27 O42 -","- Ba2 Co9 O14 -","- Ba6 Co27 O42 -","3","0.0833333","","Ehora, Ghislaine; Daviero-Minaud, Sylvie; Colmont, Marie; André, Gilles; Mentré, Olivier","Ba2Co9O14: New Inorganic Building Blocks with Magnetic Ordering through Super-Super Exchanges Only","Chemistry of Materials","2007","19","9","2180","","10.1021/cm062897q","","","0.71073","MoKα","","0.0509","0.0444","","","0.1096","0.112","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001333","13.0395","0.0014","13.0395","0.0014","13.0346","0.0014","90","","90","","120","","1919.3","0.4","295","2","295","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","cadmium antimonide (12.7/10)","cadmium antimonide (12.7/10)","","- Cd12.73 Sb10 -","- Cd12.72 Sb10 -","- Cd38.16 Sb30 -","3","0.0833333","","Zelinska, Oksana Ya.; Bie, Haiying; Mar, Arthur","Structure of Cd12.7(1)Sb10","Chemistry of Materials","2007","19","6","1518","","10.1021/cm0629659","","","0.71073","MoKα","","0.0433","0.0371","","","0.0832","0.0848","","","","","","1.317","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001334","11.791","0.002","23.168","0.005","25.506","0.005","90","","103.17","0.03","90","","6784","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H61 Cl12 Mn N11 Nb6 O6 -","- C37.5 H54 Cl12 Mn N11 Nb6 O6 -","- C150 H216 Cl48 Mn4 N44 Nb24 O24 -","4","1","","Zhou, Huajun; Strates, Konstantia C.; Muñoz, Miguel Á.; Little, Kevin J.; Pajerowski, Daniel M.; Meisel, Mark W.; Talham, Daniel R.; Lachgar, Abdessadek","Inorganic Crystal Engineering through Cation Metathesis: One-, Two-, and Three-Dimensional Cluster-Based Coordination Polymers","Chemistry of Materials","2007","19","9","2238","","10.1021/cm063005p","","","0.71073","MoKα","","0.0847","0.0592","","","0.1231","0.1334","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001335","13.1663","0.0017","23.426","0.003","23.615","0.003","90","","90","","90","","7283.7","1.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H68 Cl12 Mn2 N12 Nb6 O6 -","- C52 H60 Cl12 Mn2 N12 Nb6 O6 -","- C208 H240 Cl48 Mn8 N48 Nb24 O24 -","4","0.5","","Zhou, Huajun; Strates, Konstantia C.; Muñoz, Miguel Á.; Little, Kevin J.; Pajerowski, Daniel M.; Meisel, Mark W.; Talham, Daniel R.; Lachgar, Abdessadek","Inorganic Crystal Engineering through Cation Metathesis: One-, Two-, and Three-Dimensional Cluster-Based Coordination Polymers","Chemistry of Materials","2007","19","9","2238","","10.1021/cm063005p","","","0.71073","MoKα","","0.1014","0.062","","","0.1082","0.1219","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001336","26.465","0.005","15.578","0.003","21.87","0.004","90","","111.31","0.03","90","","8400","3","193","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H78 Cl12 Mn3 N17 Nb6 O6 -","- C54 H66 Cl12 Mn3 N17 Nb6 O6 -","- C216 H264 Cl48 Mn12 N68 Nb24 O24 -","4","1","","Zhou, Huajun; Strates, Konstantia C.; Muñoz, Miguel Á.; Little, Kevin J.; Pajerowski, Daniel M.; Meisel, Mark W.; Talham, Daniel R.; Lachgar, Abdessadek","Inorganic Crystal Engineering through Cation Metathesis: One-, Two-, and Three-Dimensional Cluster-Based Coordination Polymers","Chemistry of Materials","2007","19","9","2238","","10.1021/cm063005p","","","0.71073","MoKα","","0.1113","0.068","","","0.1335","0.1519","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001337","17.5632","0.0004","17.5632","0.0004","17.5632","0.0004","90","","90","","90","","5417.6","0.2","113","2","113","2","","","","","","","","6","P -4 3 m","P -4 2 3","215","","","","- C9 H54 Al7 N3 O45 P9 -","- C10.5 H22.95 Al7 N3 O44.98 P9 -","- C42 H91.8 Al28 N12 O179.92 P36 -","4","0.166667","","Lu, Ailing; Song, Haibin; Li, Niu; Xiang, Shouhe; Guan, Naijia; Wang, Honggen","Novel Large Aluminophosphite Cage Unit as the Building Blocks To Form a Framework Structure Containing Multidimensional 12-Ring Channels","Chemistry of Materials","2007","19","17","4142","","10.1021/cm063032f","","","0.7107","MoKα","","0.0687","0.0653","","","0.1795","0.183","","","","","","1.131","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001338","11.276","0.0002","8.917","0.001","38.176","0.006","90","","91.96","0.001","90","","3836.3","0.7","295","","295","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Co N7 O2 S32 -","- C54 H52 Co N7 O2 S32 -","- C108 H104 Co2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71069","MoKα","","0.0809","0.0511","","","0.1493","0.178","","","","","","0.98","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001339","11.2307","0.0003","8.8363","0.0002","37.9637","0.001","90","","91.934","0.001","90","","3765.29","0.16","200","","200","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Co N7 O2 S32 -","- C54 H52 Co N7 O2 S32 -","- C108 H104 Co2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71073","MoKα","","0.0995","0.0614","","","0.1422","0.1685","","","","","","1.107","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001340","10.9798","0.0005","8.8047","0.0004","38.5794","0.0018","90","","90.152","0.002","90","","3729.6","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Co N7 O2 S32 -","- C54 H52 Co N7 O2 S32 -","- C108 H104 Co2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71073","MoKα","","0.0908","0.0727","","","0.1984","0.22","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001341","11.261","0.005","8.941","0.005","38.433","0.005","90","0.005","91.463","0.005","90","0.005","3868","3","295","","295","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Fe N7 O2 S32 -","- C54 H52 Fe N7 O2 S32 -","- C108 H104 Fe2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71069","MoKα","","0.0589","0.0403","","","0.1149","0.1463","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001342","11.2203","0.0003","8.8587","0.0003","38.0541","0.0011","90","","91.86","0.009","90","","3780.5","0.2","200","","200","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Fe N7 O2 S32 -","- C54 H52 Fe N7 O2 S32 -","- C108 H104 Fe2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71073","MoKα","","0.0592","0.0412","","","0.1124","0.1402","","","","","","0.975","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001343","11.0498","0.0006","8.8371","0.0006","38.573","0.003","90","","90.142","0.001","90","","3766.6","0.4","106","","106","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H56 Fe N7 O2 S32 -","- C54 H52 Fe N7 O2 S32 -","- C108 H104 Fe2 N14 O4 S64 -","2","0.5","","Ota, Akira; Ouahab, Lahcène; Golhen, Stéphane; Yoshida, Yukihiro; Maesato, Mitsuhiko; Saito, Gunzi; Świetlik, Roman","Phase Transition from Mott Insulating Phase into the Charge Ordering Phase with Molecular Deformation in Charge-Transfer Salts κ-(ET)4[M(CN)6][N(C2H5)4]·2H2O (M = CoIIIand FeIII)","Chemistry of Materials","2007","19","10","2455","","10.1021/cm063036k","","","0.71073","MoKα","","0.1094","0.0778","","","0.2076","0.2281","","","","","","1.382","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001344","15.808","0.002","20.981","0.003","22.635","0.004","90","","103.635","0.003","90","","7295.7","1.9","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 Ca4 O14 -","- C72 H102 Ca4 O14 -","- C288 H408 Ca16 O56 -","4","1","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.211","0.0897","","","0.2174","0.286","","","","","","0.992","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001345","12.5656","0.0008","16.0295","0.001","21.1322","0.0014","90","","92.3","0.001","90","","4253","0.5","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C82 H122 Ca4 O15 -","- C78 H114 Ca4 O14 -","- C156 H228 Ca8 O28 -","2","0.5","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.069","0.0519","","","0.1424","0.1524","","","","","","1.066","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001346","9.299","0.0013","14.164","0.002","13.927","0.002","90","","101.17","0.003","90","","1799.6","0.4","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Ca O6 -","- C36 H58 Ca O6 -","- C72 H116 Ca2 O12 -","2","0.5","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.0634","0.0473","","","0.112","0.1215","","","","","","1.026","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001347","40.75","0.009","16.333","0.004","19.166","0.004","90","","111.12","0.004","90","","11899","5","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C116 H190 Ca3 O17 -","- C112 H182 Ca3 O16 -","- C448 H728 Ca12 O64 -","4","0.5","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.1312","0.0686","","","0.1593","0.1836","","","","","","0.973","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001348","19.951","0.008","14.435","0.006","21.707","0.009","90","","99.677","0.007","90","","6163","4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H100 Ca2 O8 -","- C64 H100 Ca2 O8 -","- C256 H400 Ca8 O32 -","4","1","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.092","0.0578","","","0.1172","0.1333","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001349","21.576","0.003","9.778","0.0013","19.013","0.003","90","","90","","90","","4011.2","1","203","2","203","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C40 H66 Ca O5 -","- C40 H66 Ca O5 -","- C160 H264 Ca4 O20 -","4","1","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.0792","0.051","","","0.101","0.1127","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001350","9.8317","0.0015","14.02","0.002","19.104","0.003","90","","95.659","0.003","90","","2620.5","0.7","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 Ca2 O4 -","- C56 H84 Ca2 O4 -","- C112 H168 Ca4 O8 -","2","0.5","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.0609","0.0472","","","0.1145","0.1241","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001351","12.2051","0.0015","12.8757","0.0016","15.8624","0.0019","93.792","0.002","90.235","0.002","103.998","0.002","2412.9","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 Ca O6 Si2 -","- C52 H62 Ca O6 Si2 -","- C104 H124 Ca2 O12 Si4 -","2","1","","Boyle, Timothy J.; Hernandez-Sanchez, Bernadette A.; Baros, Christina M.; Brewer, Luke N.; Rodriguez, Mark A.","Influencing the Morphology and Phase of Calcium Ceramic Nanoparticles Based on the Calcium Alkoxide Precursors' Characteristics","Chemistry of Materials","2007","19","8","2016","","10.1021/cm0700091","","","0.71073","MoKα","","0.1048","0.062","","","0.1317","0.1505","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001352","15.269","0.002","15.269","0.002","10.336","0.003","90","","90","","120","","2086.9","0.7","293","2","293","2","","","","","","","","8","P 63 m c","P 6c -2c","186","","","","- C12 H40 Al0.57 Cr0.1 N2 O16 P4 Zn2 -","- C12 Al0.57 Cr0.0966667 N2 O16.02 P4 Zn2 -","- C36 Al1.71 Cr0.29 N6 O48.06 P12 Zn6 -","3","0.25","","Yang, Yali; Li, Niu; Song, Haibin; Wang, Honggen; Chen, Wenbin; Xiang, Shouhe","Metal Phosphite Containing 24-Ring Channels with 10-Ring Windows","Chemistry of Materials","2007","19","8","1889","","10.1021/cm070026q","","","0.71073","MoKα","","0.0565","0.0486","","","0.1405","0.1518","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001353","10.086","0.002","17.585","0.005","10.811","0.003","90","","111.538","0.007","90","","1783.6","0.8","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis-tert-butylthiolatobistrimethylphosphinetetracopper(I)","","- C22 H54 Cu4 P2 S4 -","- C22 H54 Cu4 P2 S4 -","- C44 H108 Cu8 P4 S8 -","2","0.5","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.0593","0.0397","","","0.089","0.0968","","","","","","1.068","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001354","8.8065","0.0006","11.6863","0.0008","19.7851","0.0014","90","","96.134","0.001","90","","2024.5","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis-tert-butylthiolatobistriethylphosphinetetracopper(I)","","- C28 H66 Cu4 P2 S4 -","- C28 H66 Cu4 P2 S4 -","- C56 H132 Cu8 P4 S8 -","2","0.5","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.0302","0.0275","","","0.0732","0.075","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001355","18.353","0.004","18.319","0.004","20.182","0.005","90","","94.346","0.004","90","","6766","3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakistrimethylphosphinecopper(I)hexakis-tert-butylthiolatopentacuprate(I)","","- C40 H58 Cu6 O P4 S6 -","- C40 H98 Cu6 O P4 S6 -","- C160 H392 Cu24 O4 P16 S24 -","4","1","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.1205","0.0756","","","0.2053","0.2351","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001356","10.7396","0.001","10.7984","0.001","20.278","0.002","90","","93.61","0.002","90","","2347","0.4","153","2","153","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Hexakis-tert-butylthiolatobistrimethylphosphinehexacopper(I)","","- C30 H72 Cu6 P2 S6 -","- C30 H72 Cu6 P2 S6 -","- C60 H144 Cu12 P4 S12 -","2","1","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.0438","0.0334","","","0.0738","0.0777","","","","","","0.991","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001357","14.509","0.002","14.509","0.002","19.946","0.003","77.194","0.002","77.194","0.002","61.54","","3566.5","0.9","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Octakis-tert-butylthiolatobistrimethylphosphineoctacopper(I)","","- C52 H106 Cu8 P2 S8 -","- C52 H106 Cu8 P2 S8 -","- C104 H212 Cu16 P4 S16 -","2","1","","Schneider, Sven; Dzudza, Alma; Raudaschl-Sieber, Gabriele; Marks, Tobin J.","Copper(I)tert-Butylthiolato Clusters as Single-Source Precursors for High-Quality Chalcocite Thin Films: Precursor Chemistry in Solution and the Solid State","Chemistry of Materials","2007","19","11","2768","","10.1021/cm0700504","","","0.71073","MoKα","","0.0421","0.0287","","","0.0643","0.0672","","","","","","0.969","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001358","39.063","0.01","5.3131","0.0013","9.677","0.002","90","","94.6","0.004","90","","2001.9","0.8","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[AlPO4(OH)](NH3C2H4C6H5)","","- C32 H52 Al4 N4 O20 P4 -","- C32 H52 Al4 N4 O20 P4 -","- C64 H104 Al8 N8 O40 P8 -","2","0.25","","Dorner, Robert W.; Deifallah, Malek; Coombes, David S.; Catlow, C. R. A.; Corà, Furio","Synthesis and Structure Determination of a Novel Layered Aluminophosphate Material Templated with 1-Phenylethylamine: [AlPO4(OH)](NH3C2H4C6H5)","Chemistry of Materials","2007","19","9","2261","","10.1021/cm070106u","","","0.6869","synchrotron","","0.107","0.0632","","0.1281","0.0721","0.0721","","","","","","1.7119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001359","7.6053","0.0005","41.913","0.003","11.0306","0.0007","90","","90.078","0.001","90","","3516.1","0.4","203","2","203","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,2':5',2'':5'',2''':5''',3''''-quinquethiophene","","- C20 H12 S5 -","- C20 H12 S5 -","- C160 H96 S40 -","8","2","","Chisaka, Jiro; Lu, Ming; Nagamatsu, Shuichi; Chikamatsu, Masayuki; Yoshida, Yuji; Goto, Midori; Azumi, Reiko; Yamashita, Masafumi; Yase, Kiyoshi","Structure and Electrical Properties of Unsubstituted Oligothiophenes End-Capped at the β-Position","Chemistry of Materials","2007","19","10","2694","","10.1021/cm0701658","","","0.71073","MoKα","","0.054","0.0471","","","0.1312","0.1402","","","","","","1.068","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001360","22.447","0.002","7.7159","0.0007","5.9918","0.0006","90","","91.434","0.002","90","","1037.45","0.17","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,2':5',2'':5'',2''':5''',2'''':5'''',3'''''-sexithiophene","","- C24 H14 S6 -","- C24 H14 S6 -","- C48 H28 S12 -","2","0.5","","Chisaka, Jiro; Lu, Ming; Nagamatsu, Shuichi; Chikamatsu, Masayuki; Yoshida, Yuji; Goto, Midori; Azumi, Reiko; Yamashita, Masafumi; Yase, Kiyoshi","Structure and Electrical Properties of Unsubstituted Oligothiophenes End-Capped at the β-Position","Chemistry of Materials","2007","19","10","2694","","10.1021/cm0701658","","","0.71073","MoKα","","0.0485","0.0438","","","0.1376","0.1511","","","","","","1.114","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001361","4.96524","0.00006","7.96358","0.0001","5.7484","0.00005","90","","90","","90","","227.298","0.004","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001362","3.0287","0.0006","3.0287","","3.0287","","90","","90","","90","","27.782","0.006","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001363","4.96259","0.00005","7.96782","0.00008","5.74186","0.00004","90","","90","","90","","227.039","0.004","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","","- C Ca O3 -","- C Ca O3 -","- C4 Ca4 O12 -","4","0.5","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001364","3.0267","0.0005","3.0267","","3.0267","","90","","90","","90","","27.727","0.005","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- V -","- V -","- V2 -","2","0.0208333","","Pokroy, B.; Fieramosca, J. S.; Von Dreele, R. B.; Fitch, A. N.; Caspi, E. N.; Zolotoyabko, E.","Atomic Structure of Biogenic Aragonite","Chemistry of Materials","2007","19","13","3244","","10.1021/cm070187u","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001365","5.652","","5.652","","18.828","","90","","90","","120","","520.882","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba2 Co3.667 Ga0.667 O8.667 -","- Ba2 Co3.66667 Ga0.666667 O8.66667 -","- Ba6 Co11 Ga2 O26 -","3","0.25","","Pelloquin, D.; Pérez, O.; Martinet, G.; Hébert, S.; Maignan, A.","The Oxide Ba6Ga2Co11O26: A New Close-Packed Stacking Derived from the Hexagonal Perovskite","Chemistry of Materials","2007","19","10","2658","","10.1021/cm0702823","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001366","10.343","0.0002","10.343","0.0002","9.756","0.0003","90","","90","","120","","903.85","0.04","150","2","150","2","","","","","","","","4","P 63","P 6c","173","","","","- C12 H27 S3 Sb -","- C12 H27 S3 Sb -","- C24 H54 S6 Sb2 -","2","0.333333","","Castro, Jorge Rodriguez-; Dale, Phillip; Mahon, Mary F.; Molloy, Kieran C.; Peter, Laurie M.","Deposition of Antimony Sulfide Thin Films from Single-Source Antimony Thiolate Precursors","Chemistry of Materials","2007","19","13","3219","","10.1021/cm070405j","","","0.71073","MoKα","","0.0637","0.0339","","","0.0702","0.0792","","","","","","1.063","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001367","12.081","0.007","5.645","0.002","23.804","0.012","90","","103.45","0.02","90","","1578.8","1.3","293","1","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K Mn O4 V -","- K Mn O4 V -","- K16 Mn16 O64 V16 -","16","4","","Yahia, H. Ben; Gaudin, E.; Lee, C.; Whangbo, M.-H.; Darriet, J.","Structural and Magnetic Properties of a New Type of Ordered Oxygen-Deficient Perovskite, KMnVO4","Chemistry of Materials","2007","19","23","5563","","10.1021/cm070452b","","","0.71069","MoKα","","0.0304","0.0304","","","0.0733","0.0733","","","","1.31","1.31","1.31","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001368","4.6807","0.0008","8.334","0.0013","18.206","0.003","86.392","0.003","83.962","0.003","88.2","0.003","704.6","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","ndi-8br2","N,N'-bis(n-octyl)-2,6-dibromonaphthalene-1,4:5,8-tetracarboxylicdiimide","","- C30 H36 Br2 N2 O4 -","- C30 H36 Br2 N2 O4 -","- C30 H36 Br2 N2 O4 -","1","0.5","","Jones, Brooks A.; Facchetti, Antonio; Marks, Tobin J.; Wasielewski, Michael R.","Cyanonaphthalene Diimide Semiconductors for Air-Stable, Flexible, and Optically Transparent n-Channel Field-Effect Transistors","Chemistry of Materials","2007","19","11","2703","","10.1021/cm0704579","","","0.71073","MoKα","","0.0501","0.0399","","","0.0969","0.1019","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001369","5.6683","0.0005","5.6683","0.0005","14.277","0.003","90","","90","","120","","397.26","0.1","293","2","293","2","","","","","","","","4","P -6 m 2","P -6 2","187","barium cobalt oxyfluorure","","","- Ba6 Co6 F O16 -","- Ba6 Co6 F O15.99 -","- Ba6 Co6 F O15.99 -","1","0.0833333","","Ehora, Ghislaine; Renard, Catherine; Daviero-Minaud, Sylvie; Mentré, Olivier","New BaCoO3-δPolytypes by Rational Substitution of O2-for F-","Chemistry of Materials","2007","19","12","2924","","10.1021/cm070576o","","","0.71073","MoKα","","0.0164","0.016","","","0.0346","0.0348","","","","","","1.194","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001370","5.6878","0.0005","5.6878","0.0005","23.701","0.005","90","","90","","120","","664.03","0.16","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","barium cobalt oxyfluorure","","","- Ba5 Co5 F O13 -","- Ba10 Co10 F2 O25.98 -","- Ba10 Co10 F2 O25.98 -","1","0.0416667","","Ehora, Ghislaine; Renard, Catherine; Daviero-Minaud, Sylvie; Mentré, Olivier","New BaCoO3-δPolytypes by Rational Substitution of O2-for F-","Chemistry of Materials","2007","19","12","2924","","10.1021/cm070576o","","","0.71073","MoKα","","0.0392","0.0275","","","0.0574","0.0601","","","","","","1.263","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001371","27.5001","0.0004","11.99777","0.00018","7.25373","0.00011","90","","90","","90","","2393.29","0.06","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H18 N2 O21 P6 Pr2 -","- C6 H18 N2 O21 P6 Pr2 -","- C24 H72 N8 O84 P24 Pr8 -","4","0.5","","Cunha-Silva, Luís; Mafra, Luís; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Almeida Paz, Filipe A.","Photoluminescent Lanthanide−Organic 2D Networks: A Combined Synchrotron Powder X-ray Diffraction and Solid-State NMR Study","Chemistry of Materials","2007","19","14","3527","","10.1021/cm070596q","powder diffraction","","","X-ray","","","","","","","","","5.6443","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001372","9.0682","0.0002","9.5114","0.0003","14.0066","0.0004","74.975","0.002","86.534","0.002","82.725","0.002","1156.91","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H15 Na Nd3 O25 P -","- C9 H15 Na Nd3 O25 P -","- C18 H30 Na2 Nd6 O50 P2 -","2","1","","Huang, Ya-Ling; Huang, Meow-Yu; Chan, Tsung-Han; Chang, Bor-Chen; Lii, Kwang-Hwa","Synthesis, Structural Characterization, and Luminescence Properties of Lanthanide Oxalatophosphonates: Na[M3(H2O)4(C2O4)4(CH3PO3)]·2H2O (M = Nd and Pr)","Chemistry of Materials","2007","19","13","3232","","10.1021/cm070602i","","","0.71073","MoKα","","0.0227","0.0172","","","0.0348","0.0353","","","","","","0.902","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001373","9.1254","0.0011","9.5493","0.0012","14.0728","0.0017","75.086","0.002","86.611","0.002","82.545","0.002","1174.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H15 Na O25 P Pr3 -","- C9 H3 Na O25 P Pr3 -","- C18 H6 Na2 O50 P2 Pr6 -","2","1","","Huang, Ya-Ling; Huang, Meow-Yu; Chan, Tsung-Han; Chang, Bor-Chen; Lii, Kwang-Hwa","Synthesis, Structural Characterization, and Luminescence Properties of Lanthanide Oxalatophosphonates: Na[M3(H2O)4(C2O4)4(CH3PO3)]·2H2O (M = Nd and Pr)","Chemistry of Materials","2007","19","13","3232","","10.1021/cm070602i","","","0.71073","MoKα","","0.0385","0.0308","","","0.0663","0.0681","","","","","","0.981","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001374","21.697","0.008","8.534","0.003","14.165","0.006","90","","90","","90","","2622.8","1.7","100","","","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C18 H30 Cl2 N4 Ni O12 -","- C18 H30 Cl2 N4 Ni O12 -","- C72 H120 Cl8 N16 Ni4 O48 -","4","0.5","","Okazawa, Atsushi; Nogami, Takashi; Ishida, Takayuki","tert-Butyl 2-Pyridyl Nitroxide Available as a Paramagnetic Chelate Ligand for Strongly Exchange-Coupled Metal−Radical Compounds","Chemistry of Materials","2007","19","11","2733","","10.1021/cm070698g","","","0.71069","MoKα","","","0.054","","","","0.0667","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001375","6.176","0.003","20.503","0.01","9.516","0.004","90","","104.33","0.04","90","","1167.5","1","90","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl2 Cu N4 O10 -","- C18 H26 Cl2 Cu N4 O10 -","- C36 H52 Cl4 Cu2 N8 O20 -","2","0.5","","Okazawa, Atsushi; Nogami, Takashi; Ishida, Takayuki","tert-Butyl 2-Pyridyl Nitroxide Available as a Paramagnetic Chelate Ligand for Strongly Exchange-Coupled Metal−Radical Compounds","Chemistry of Materials","2007","19","11","2733","","10.1021/cm070698g","","","0.71069","MoKα","","","0.0592","","","","0.1085","","","","","","1.475","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001376","14.8704","0.0003","7.6902","0.0002","10.6506","0.0003","90","","102.57","0.002","90","","1188.77","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mn2C8H10O12","","","- C8 H10 Mn2 O12 -","- C8 H10 Mn2 O12 -","- C32 H40 Mn8 O48 -","4","1","","Wang, Xin-Yi; Sevov, Slavi C.","A Manganese Carboxylate with Geometrically Frustrated Magnetic Layers of Novel Topology","Chemistry of Materials","2007","19","15","3763","","10.1021/cm070713h","","","0.71073","MoKα","","0.0602","0.0555","","","0.1366","0.1418","","","","","","1.142","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001377","10.5567","0.0018","6.3046","0.0011","10.8182","0.0018","90","","95.092","0.002","90","","717.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cu2 N20 -","- C4 H6 Cu2 N20 -","- C8 H12 Cu4 N40 -","2","0.5","","Liu, Pei-Pei; Cheng, Ai-Ling; Liu, Na; Sun, Wei-Wei; Gao, En-Qing","Toward Tuning the Bulk Magnetic Behaviors of Metal−Azido Materials by Organic Pillars","Chemistry of Materials","2007","19","11","2724","","10.1021/cm0708416","","","0.71073","MoKα","","0.0324","0.0259","","","0.0627","0.0658","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001378","11.859","0.002","6.3786","0.0011","10.7701","0.0018","90","","95.931","0.002","90","","810.3","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cu2 N20 -","- C6 H10 Cu2 N20 -","- C12 H20 Cu4 N40 -","2","0.5","","Liu, Pei-Pei; Cheng, Ai-Ling; Liu, Na; Sun, Wei-Wei; Gao, En-Qing","Toward Tuning the Bulk Magnetic Behaviors of Metal−Azido Materials by Organic Pillars","Chemistry of Materials","2007","19","11","2724","","10.1021/cm0708416","","","0.71073","MoKα","","0.0524","0.0423","","","0.0929","0.0976","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001379","6.244","0.004","6.244","0.004","18.479","0.019","90","","90","","120","","623.9","0.9","175","5","175","5","","","","","","","","4","P 63/m","-P 6c","176","Nickel Chromium Phosphorus Sulfide","","","- Cr2 Ni3 P2 Se9 -","- Cr2 Ni3.0001 P2 Se9 -","- Cr4 Ni6.0002 P4 Se18 -","2","0.166667","","McGuire, Michael A.; DiSalvo, Francis J.","Ni3Cr2P2Q9(Q = S, Se): New Quaternary Transition Metal Chalcogenides with a Unique Layered Structure","Chemistry of Materials","2007","19","18","4600","","10.1021/cm070849f","","","0.71073","MoKα","","0.042","0.0235","","","0.0342","0.0356","","","","","","0.805","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001380","12.238","0.005","12.238","0.005","12.398","0.005","90","","90","","90","","1856.8","1.3","123","2","123","","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-samarium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-samarium chloride clathrate hydrate)","","- C40 H24 Cl N8 Na6 O46 S8 Sm -","- C40 H24 Cl N8 Na6 O46 S8 Sm -","- C40 H24 Cl N8 Na6 O46 S8 Sm -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.1012","0.0764","","","0.1952","0.213","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001381","12.265","0.005","12.265","0.005","12.421","0.005","90","","90","","90","","1868.5","1.3","123","2","123","2","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-europium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-europium chloride clathrate hydrate)","","- C40 H24 Cl Eu N8 Na6 O48 S8 -","- C40 H24 Cl Eu N8 Na6 O48 S8 -","- C40 H24 Cl Eu N8 Na6 O48 S8 -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.061","0.0554","","","0.1426","0.1482","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001382","12.234","0.005","12.234","0.005","12.373","0.005","90","","90","","90","","1851.9","1.3","123","2","123","","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-gadolinium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-gadolinium chloride clathrate hydrate)","","- C40 H24 Cl Gd N8 Na6 O48 S8 -","- C40 H24 Cl Gd N8 Na6 O48 S8 -","- C40 H24 Cl Gd N8 Na6 O48 S8 -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.0743","0.0648","","","0.1527","0.1689","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001383","12.245","0.005","12.245","0.005","12.407","0.005","90","","90","","90","","1860.3","1.3","123","2","123","2","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-terbium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-terbium chloride clathrate hydrate)","","- C40 H24 Cl N8 Na6 O46 S8 Tb -","- C40 H24 Cl N8 Na6 O46 S8 Tb -","- C40 H24 Cl N8 Na6 O46 S8 Tb -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","x-ray","0.71069","MoKα","","0.0591","0.0528","","","0.1401","0.158","","","","","","1.194","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001384","12.213","0.005","12.213","0.005","12.345","0.005","90","","90","","90","","1841.3","1.3","123","2","123","","","","","","","","","8","P -4","P -4","81","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-dysprosium chloride clathrate hydrate)","catena-(tetrakis(4,4'-Disulfo-2,2'-bipyridine N,N'-dioxide)- di-aqua-hexa-sodium-dysprosium chloride clathrate hydrate)","","- C40 H24 Cl Dy N8 Na6 O47 S8 -","- C40 H24 Cl Dy N8 Na6 O47 S8 -","- C40 H24 Cl Dy N8 Na6 O47 S8 -","1","0.25","","Chandler, Brett D.; Yu, Joanne O.; Cramb, David T.; Shimizu, George K. H.","Series of Lanthanide-Alkali Metal-Organic Frameworks Exhibiting Luminescence and Permanent Microporosity","Chemistry of Materials","2007","19","18","4467","","10.1021/cm070930i","","","0.71069","MoKα","","0.045","0.0405","","","0.1034","0.1061","","","","","","1.053","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001385","14.2604","0.0002","10.1663","0.0002","10.5637","0.0002","90","","91.803","0.001","90","","1530.72","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl2 Cu7 O28 -","- C16 H24 Cl2 Cu7 O28 -","- C32 H48 Cl4 Cu14 O56 -","2","0.5","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0332","0.0252","","","0.0616","0.0638","","","","","","1.075","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001386","14.2291","0.0002","10.0388","0.0002","10.3413","0.0002","90","","92.449","0.001","90","","1475.83","0.05","100","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","CuTHFTC-dehy-RT","","","- C16 H12 Cl2 Cu7 O24.37 -","- C16 H12 Cl2 Cu7 O24.37 -","- C32 H24 Cl4 Cu14 O48.74 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0369","0.0335","","","0.0836","0.0907","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001387","14.1851","0.0002","10.0601","0.0002","10.2537","0.0002","90","","92.262","0.001","90","","1462.1","0.05","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","CuTHF65","","","- C16 H14 Cl2 Cu7 O24 -","- C16 H14 Cl2 Cu7 O24 -","- C32 H28 Cl4 Cu14 O48 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0275","0.0257","","","0.0578","0.0584","","","","","","1.109","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001388","14.119","0.003","10.043","0.002","10.21","0.002","90","","92.16","0.03","90","","1446.7","0.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","Cu-THF-105","","","- C16 H14 Cl2 Cu7 O23 -","- C16 H14 Cl2 Cu7 O23 -","- C32 H28 Cl4 Cu14 O46 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0247","0.023","","","0.0565","0.0574","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001389","14.2238","0.0003","10.1417","0.0002","10.5474","0.0003","90","","91.795","0.001","90","","1520.75","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CuTHFRe","","","- C16 H20 Cl2 Cu7 O28 -","- C16 H20 Cl2 Cu7 O28 -","- C32 H40 Cl4 Cu14 O56 -","2","0.5","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0312","0.0228","","","0.0563","0.0586","","","","","","1.081","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001390","14.1601","0.0003","10.0452","0.0002","10.2294","0.0002","90","","92.258","0.001","90","","1453.91","0.05","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","CuTHFTC-dehy-NH3","","","- C16 H14 Cl2 Cu7 N O23 -","- C16 H14 Cl2 Cu7 N O23 -","- C32 H28 Cl4 Cu14 N2 O46 -","2","1","","Wang, Xin-Yi; Scancella, Michael; Sevov, Slavi C.","Studies of the Mechanism of a Single-Crystal-to-Single-Crystal Reversible Dehydration of a Copper Carboxylate Framework","Chemistry of Materials","2007","19","18","4506","","10.1021/cm071005z","","","0.71073","MoKα","","0.0317","0.0288","","","0.0641","0.0649","","","","","","1.1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001391","7.2596","0.0008","21.786","0.002","38.904","0.004","90","","90","","90","","6153","1.1","293","2","","","","","","","","","","3","F 2 d d","F -2d 2","43","","","","- O45 P9 V12 -","- O45 P9 V12 -","- O360 P72 V96 -","8","0.5","","Benser, Ernst; Glaum, Robert; Dross, Thomas; Hibst, Hartmut","VIIIVIV3O3(PO4)3: A Novel Vanadium Phosphate for Selective Oxidation of Light Hydrocarbons","Chemistry of Materials","2007","19","17","4341","","10.1021/cm071036u","","x-ray","0.71073","MoKα","","","0.0315","","","","0.0663","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001392","8.694","0.003","15.491","0.004","20.569","0.006","90","","90","","90","","2770.2","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H30 F4 N8 O4 -","- C28 H30 F4 N8 O4 -","- C112 H120 F16 N32 O16 -","4","0.5","","Murata, Hidenori; Mague, Joel T.; Aboaku, Safo; Yoshioka, Naoki; Lahti, Paul M.","An Organic Radical Solid Solution with Strong Ferromagnetic Exchange","Chemistry of Materials","2007","19","17","4111","","10.1021/cm0711459","","","0.71073","MoKα","","0.0839","0.0663","","","0.1541","0.1638","","","","","","1.136","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001393","17.638","0.004","9.4889","0.0019","26.369","0.005","90","","115.47","0.03","90","","3984.3","1.7","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C30 H82.9 In5 N5 O1.45 S19 Sb6 -","- C24.82 H58.2 In5 N3.97 O1.46 S19 Sb6 -","- C49.64 H116.4 In10 N7.94 O2.92 S38 Sb12 -","2","0.5","","Ding, Nan; Kanatzidis, Mercouri G.","Permeable Layers with Large Windows in [(CH3CH2CH2)2NH2]5In5Sb6S19·1.45 H2O: High Ion-Exchange Capacity, Size Discrimination, and Selectivity for Cs Ions","Chemistry of Materials","2007","19","16","3867","","10.1021/cm071179g","","","0.71073","MoKα","","0.0768","0.0584","","","0.1547","0.1655","","","","","","1.096","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001394","13.6835","0.0014","19.981","0.002","6.7535","0.0007","90","","94.514","0.002","90","","1840.7","0.3","273","2","273","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Calcium catena-polyphosphate","","- Ca O6 P2 -","- Ca O6 P2 -","- Ca16 O96 P32 -","16","4","","Weil, Matthias; Puchberger, Michael; Schmedt auf der Günne, Jörn; Weber, Johannes","Synthesis, Crystal Structure, and Characterization (Vibrational and Solid-State31P MAS NMR Spectroscopy) of the High-Temperature Modification of Calciumcatena-Polyphosphate(V)","Chemistry of Materials","2007","19","21","5067","","10.1021/cm071239i","","","0.71073","MoKα","","0.0672","0.0561","","","0.1205","0.1263","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001395","6.4509","0.0007","15.3058","0.0015","9.4335","0.0009","90","","101.176","0.002","90","","913.76","0.16","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 B N4 -","- C8 H5 B N4 -","- C32 H20 B4 N16 -","4","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.0644","0.0497","","","0.121","0.1286","","","","","","1.025","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001396","13.261","0.0009","7.6398","0.0005","21.3062","0.0014","90","","90","","90","","2158.6","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 B N5 -","- C9 H6 B N5 -","- C72 H48 B8 N40 -","8","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.1","0.047","","","0.0968","0.1175","","","","","","0.81","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001397","17.3571","0.0012","8.5357","0.0006","8.0293","0.0006","90","","90","","90","","1189.58","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H10 Be N4 -","- C12 H10 Be N4 -","- C48 H40 Be4 N16 -","4","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.0562","0.0326","","","0.0505","0.0544","","","","","","0.856","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001398","7.558","0.004","8.286","0.004","12.763","0.006","77.809","0.01","75.389","0.01","71.894","0.01","727.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 Ga N5 -","- C13 H10 Ga N5 -","- C26 H20 Ga2 N10 -","2","1","","Chizmeshya, A. V. G.; Ritter, C. J.; Groy, T. L.; Tice, J. B.; Kouvetakis, J.","Synthesis of Molecular Adducts of Beryllium, Boron, and Gallium Cyanides: Theoretical and Experimental Correlations between Solid-State and Molecular Analogues","Chemistry of Materials","2007","19","24","5890","","10.1021/cm071275h","","","0.71073","MoKα","","0.0493","0.0382","","","0.0869","0.0915","","","","","","1.004","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001399","10.673","0.003","10.673","0.003","4.099","0.002","90","","90","","120","","404.4","0.3","273","2","273","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C3 H3 Ce0.9 Gd0.1 O6 -","- C3 H3 Ce0.9 Gd0.1 O6 -","- C9 H9 Ce2.7 Gd0.3 O18 -","3","0.166667","","Go, Yong Bok; Jacobson, Allan J.","Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route","Chemistry of Materials","2007","19","19","4702","","10.1021/cm071310k","","","0.71073","MoKα","","0.0117","0.0117","","","0.0292","0.0292","","","","","","1.134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001400","8.5501","0.0002","7.3054","0.0002","5.0045","0.0001","90","","90","","90","","312.591","0.013","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cerium gadolinium carbonato hydroxide","","- C H Ce0.9 Gd0.1 O4 -","- C Ce0.9 Gd0.1 O4 -","- C4 Ce3.6 Gd0.4 O16 -","4","1","","Go, Yong Bok; Jacobson, Allan J.","Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route","Chemistry of Materials","2007","19","19","4702","","10.1021/cm071310k","powder diffraction","x-ray","1.54178","CuKα","","","","","","","","0.03063","","1.73","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001401","8.9475","0.0006","9.5099","0.0007","16.9616","0.0012","90","","90","","90","","1443.26","0.18","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C3 H16 Ce1.8 Gd0.2 O17 -","- C3 H16 Ce1.801 Gd0.199 O17 -","- C12 H64 Ce7.204 Gd0.796 O68 -","4","0.5","","Go, Yong Bok; Jacobson, Allan J.","Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route","Chemistry of Materials","2007","19","19","4702","","10.1021/cm071310k","","","0.71073","MoKα","","0.0404","0.0197","","","0.0353","0.0388","","","","","","0.893","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001402","5.2771","0.0011","9.1476","0.0018","10.804","0.002","90","","99.19","0.03","90","","514.84","0.18","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Ferrous Tainiolite","Ferrous Tainiolite","","- Cs0.986 F2 Fe2.025 Li0.975 O10 Si4 -","- Cs0.986 F2 Fe2.025 Li0.975 O10 Si4 -","- Cs1.972 F4 Fe4.05 Li1.95 O20 Si8 -","2","0.25","","Mariychuk, Ruslan; Baumgartner, Alexander; Wagner, Friedrich E.; Lerf, Anton; Dubbe, Andreas; Moos, Ralf; Breu, Josef","Synthesis, Structure, and Electric Conductivity of Ferrous Tainiolite and Its Oxidative Conversion into Coarse-Grained Swellable Smectite","Chemistry of Materials","2007","19","22","5377","","10.1021/cm0713778","","","0.71073","MoKα","","0.0381","0.0365","","","0.0883","0.0896","","","","","","1.108","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001403","14.3071","0.0006","6.9965","0.0003","11.451","0.0005","90","","90","","90","","1146.24","0.09","163","2","163","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 Co N2 O10 V4 -","- C4 H4 Co N2 O10 V4 -","- C16 H16 Co4 N8 O40 V16 -","4","0.25","","Khan, M. Ishaque; Yohannes, Elizabeth; Golub, Vladimir O.; O'Connor, Charles J.; Doedens, Robert J.","Mixed-Valence and Neutral Framework Inorganic−Organic Hybrid Materials: Synthesis, Characterization, and Magnetic Properties of [{Co(N(CH)4N)}(V2O5)2] and [{Co(N(CH)4N)}V2O6]","Chemistry of Materials","2007","19","20","4890","","10.1021/cm071415n","","","0.71073","MoKα","","0.0385","0.0381","","","0.1017","0.1019","","","","","","1.308","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001404","10.2524","0.0008","11.5653","0.0009","7.4719","0.0006","90","","90","","90","","885.96","0.12","163","2","163","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C4 H4 Co N2 O6 V2 -","- C4 H4 Co N2 O6 V2 -","- C16 H16 Co4 N8 O24 V8 -","4","0.5","","Khan, M. Ishaque; Yohannes, Elizabeth; Golub, Vladimir O.; O'Connor, Charles J.; Doedens, Robert J.","Mixed-Valence and Neutral Framework Inorganic−Organic Hybrid Materials: Synthesis, Characterization, and Magnetic Properties of [{Co(N(CH)4N)}(V2O5)2] and [{Co(N(CH)4N)}V2O6]","Chemistry of Materials","2007","19","20","4890","","10.1021/cm071415n","","","0.71073","MoKα","","0.0199","0.0182","","","0.0541","0.0547","","","","","","1.245","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001405","21.4829","0.001","4.6185","0.0002","8.8453","0.0004","90","","100.362","0.001","90","","863.31","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 F2 O6 Pb2 S2 -","- C2 H4 F2 O6 Pb2 S2 -","- C8 H16 F8 O24 Pb8 S8 -","4","0.5","","Rogow, David L.; Zapeda, Gustavo; Swanson, Claudia H.; Fan, Xiaojuan; Oliver, Allen G.; Oliver, Scott R. J.","A Metal−Organic Framework Containing Cationic Inorganic Layers: Pb2F2[C2H4(SO3)2]","Chemistry of Materials","2007","19","19","4658","","10.1021/cm071429t","","","0.71073","MoKα","","0.0883","0.0587","","","0.1297","0.1394","","","","","","1.017","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001406","8.5463","0.0003","13.4903","0.0005","16.9043","0.0006","69.533","0.001","89.581","0.001","86.715","0.001","1822.74","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H38 N6 O32 P8 Zn6 -","- C8 H38 N6 O32 P8 Zn6 -","- C16 H76 N12 O64 P16 Zn12 -","2","1","","Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein","Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels","Chemistry of Materials","2007","19","25","6114","","10.1021/cm071462f","","","0.71073","MoKα","","0.0298","0.0268","","","0.0721","0.0732","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001407","8.2558","0.0004","8.5393","0.0004","13.5627","0.0006","87.244","0.001","81.731","0.001","80.492","0.001","932.92","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H19 N3 O16 P4 Zn3 -","- C4 H19 N3 O16 P4 Zn3 -","- C8 H38 N6 O32 P8 Zn6 -","2","1","","Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein","Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels","Chemistry of Materials","2007","19","25","6114","","10.1021/cm071462f","","","0.71073","MoKα","","0.0379","0.0351","","","0.0955","0.0975","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001408","8.4552","0.0007","10.0614","0.0008","12.8218","0.001","109.012","0.001","90.922","0.002","91.298","0.002","1030.68","0.14","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H22 N3 O17.5 P4 Zn3 -","- C4 H13 N3 O17.5 P4 Zn3 -","- C8 H26 N6 O35 P8 Zn6 -","2","1","","Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein","Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels","Chemistry of Materials","2007","19","25","6114","","10.1021/cm071462f","","","0.71073","MoKα","","0.0361","0.0296","","","0.0894","0.0914","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001409","16.0829","0.0008","16.0829","0.0008","29.805","0.002","90","","90","","90","","7709.4","0.7","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C4 H18.5 N2.5 O13.5 P3 Zn2.5 -","- C2 H3 N1.996 O13 P3 Zn2.5 -","- C32 H48 N31.936 O208 P48 Zn40 -","16","1","","Chang, Wen-Ming; Cheng, Ming-Yu; Liao, Yueh-Chun; Chang, Ming-Chung; Wang, Sue-Lein","Template Effect of Chain-Type Polyamines on Pore Augmentation: Five Open-Framework Zinc Phosphates with 16-Ring Channels","Chemistry of Materials","2007","19","25","6114","","10.1021/cm071462f","","","0.71073","MoKα","","0.0543","0.0488","","","0.1459","0.1489","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001410","13.0907","0.0002","11.9219","0.0002","22.7569","0.0003","90","","96.062","0.001","90","","3531.72","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","CoEnOx-BPDS-H2O","","","- C24 H47 Co2 N8 O17.5 S2 -","- C24 H47 Co2 N8 O17.5 S2 -","- C96 H188 Co8 N32 O70 S8 -","4","2","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0429","0.0384","","","0.0935","0.0985","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001411","6.3228","0.0001","11.9946","0.0002","26.4024","0.0004","90","","91.402","0.001","90","","2001.74","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CoEnOx-BPDS-DMF","","","- C30 H54 Co2 N10 O16 S2 -","- C30 H54 Co2 N10 O16 S2 -","- C60 H108 Co4 N20 O32 S4 -","2","0.5","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0305","0.0279","","","0.0692","0.0707","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001412","7.7782","0.0016","10.31","0.002","18.272","0.004","99.69","0.03","94.23","0.04","90.1","0.03","1440.3","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","CoEnOx-BPDS-pnp","","","- C42 H69 Co2 N11 O30 S2 -","- C42 H55 Co2 N11 O30 S2 -","- C42 H55 Co2 N11 O30 S2 -","1","1","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0433","0.0402","","","0.1117","0.1186","","","","","","1.113","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001413","11.781","0.002","12.915","0.003","17.417","0.004","89.52","0.04","73.11","0.03","89.75","0.03","2535.6","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CoEnOx-BPDS-Acpy","","","- C38 H68 Co2 N10 O23 S2 -","- C38 H48.646 Co2 N10 O23 S2 -","- C76 H97.292 Co4 N20 O46 S4 -","2","1","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0553","0.0451","","","0.1242","0.1323","","","","","","1.042","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001414","38.284","0.007","10.1952","0.0018","15.276","0.003","90","","110.18","0.01","90","","5596.4","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CoEnOx-BPDS-dmapy","","","- C38 H80 Co2 N12 O24 S2 -","- C38 H60 Co2 N12 O24 S2 -","- C152 H240 Co8 N48 O96 S8 -","4","0.5","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0804","0.073","","","0.1889","0.1984","","","","","","1.294","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001415","11.7217","0.0008","18.1519","0.0013","26.4208","0.0019","70.693","0.003","89.401","0.003","87.117","0.003","5298.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CoEnOx-BPDS-Hdmapy","","","- C74 H144 Co4 N20 O50 S6 -","- C74 H106.028 Co4 N20 O50 S6 -","- C148 H212.056 Co8 N40 O100 S12 -","2","1","","Wang, Xin-Yi; Sevov, Slavi C.","Hydrogen-Bonded Host Frameworks of Cationic Metal Complexes and Anionic Disulfonate Linkers: Effects of the Guest Molecules and the Charge of the Metal Complex","Chemistry of Materials","2007","19","20","4906","","10.1021/cm071480x","","","0.71073","MoKα","","0.0427","0.0369","","","0.1023","0.109","","","","","","1.043","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001416","5.914","0.01","12.19","0.02","23.72","0.03","89.06","0.06","97.98","0.07","97.16","0.07","1680","5","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F6 N4 S4 -","- C24 H10 F6 N4 S4 -","- C72 H30 F18 N12 S12 -","3","1.5","","Mamada, Masashi; Nishida, Jun-ichi; Kumaki, Daisuke; Tokito, Shizuo; Yamashita, Yoshiro","n-Type Organic Field-Effect Transistors with High Electron Mobilities Based on Thiazole−Thiazolothiazole Conjugated Molecules","Chemistry of Materials","2007","19","22","5404","","10.1021/cm071505s","","","0.7107","MoKα","","","0.0534","","","","0.1085","","","","","","0.869","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001417","8.43","0.01","13.05","0.02","16.35","0.03","93.22","0.06","101.18","0.05","103.56","0.05","1706","5","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F6 N4 S4 -","- C24 H10 F6 N4 S4 -","- C72 H30 F18 N12 S12 -","3","1.5","","Mamada, Masashi; Nishida, Jun-ichi; Kumaki, Daisuke; Tokito, Shizuo; Yamashita, Yoshiro","n-Type Organic Field-Effect Transistors with High Electron Mobilities Based on Thiazole−Thiazolothiazole Conjugated Molecules","Chemistry of Materials","2007","19","22","5404","","10.1021/cm071505s","","","0.7107","MoKα","","","0.0422","","","","0.084","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001418","9.405","0.002","9.405","0.002","10.41","0.002","90","","90","","120","","797.4","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu2.97 Mo18 S24 -","- Cu2.9718 Mo18 S24 -","- Cu2.9718 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.9623","1.962","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001419","9.52","0.002","9.52","0.002","10.314","0.002","90","","90","","120","","809.5","0.3","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu4.23 Mo18 S24 -","- Cu4.22406 Mo18 S24 -","- Cu4.22406 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.397","0.549","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001420","9.47","0.002","9.47","0.002","10.377","0.002","90","","90","","120","","805.9","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu3.37 Mg0.25 Mo18 S24 -","- Cu3.366 Mg0.252 Mo18 S24 -","- Cu3.366 Mg0.252 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.397","1.738","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001421","9.548","0.002","9.548","0.002","10.375","0.002","90","","90","","120","","819.1","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu4.37 Mg0.22 Mo18 S24 -","- Cu4.36878 Mg0.2079 Mo18 S24 -","- Cu4.36878 Mg0.2079 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.4966","1.98","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001422","9.534","0.002","9.534","0.002","10.431","0.002","90","","90","","120","","821.1","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu1.6 Mg2.09 Mo18 S24 -","- Cu1.602 Mg2.088 Mo18 S24 -","- Cu1.602 Mg2.088 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.3731","1.98","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001423","9.516","0.002","9.516","0.002","10.46","0.002","90","","90","","120","","820.3","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu2.86 Mg1.31 Mo18 S24 -","- Cu2.862 Mg1.314 Mo18 S24 -","- Cu2.862 Mg1.314 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","4.4882","1.98","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001424","9.594","0.002","9.594","0.002","10.435","0.002","90","","90","","120","","831.8","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu3.02 Mg2.27 Mo18 S24 -","- Cu3.0276 Mg2.2752 Mo18 S24 -","- Cu3.0276 Mg2.2752 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.6866","1.768","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001425","9.724","0.002","9.724","0.002","10.392","0.002","90","","90","","120","","851","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu4.66 Mg3.31 Mo18 S24 -","- Cu4.662 Mg3.312 Mo18 S24 -","- Cu4.662 Mg3.312 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","4.6739","1.789","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001426","9.705","0.002","9.705","0.002","10.405","0.002","90","","90","","120","","848.7","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu1.21 Mg5.4 Mo18 S24 -","- Cu1.20006 Mg5.4 Mo18 S24 -","- Cu1.20006 Mg5.4 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","3.7278","1.789","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001427","9.448","0.002","9.448","0.002","10.392","0.002","90","","90","","120","","803.4","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu3.06 Mg0.2 Mo18 S24 -","- Cu3.06 Mg0.198 Mo18 S24 -","- Cu3.06 Mg0.198 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.5699","0.4856","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001428","9.462","0.002","9.462","0.002","10.434","0.002","90","","90","","120","","809","0.3","300","","300","","","","","","","","","4","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Cu2.56 Mg0.77 Mo18 S24 -","- Cu2.556 Mg0.774 Mo18 S24 -","- Cu2.556 Mg0.774 Mo18 S24 -","1","","","Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M.","Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction","Chemistry of Materials","2007","19","21","5131","","10.1021/cm0715489","powder diffraction","","0.35008","Synchrotron","","","","","","","","","5.4032","0.8","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001429","11.6162","0.0005","17.0136","0.0008","18.6513","0.0009","90","","92.615","0.004","90","","3682.3","0.3","295","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C41 H41 Cl N4 O -","- C41 H41 Cl N4 O -","- C164 H164 Cl4 N16 O4 -","4","1","","Bouit, Pierre-Antoine; Wetzel, Guillaume; Berginc, Gérard; Loiseaux, Brigitte; Toupet, Loïc; Feneyrou, Patrick; Bretonnière, Yann; Kamada, Kenji; Maury, Olivier; Andraud, Chantal","Near IR Nonlinear Absorbing Chromophores with Optical Limiting Properties at Telecommunication Wavelengths","Chemistry of Materials","2007","19","22","5325","","10.1021/cm071557h","","","0.71069","MoKα","","0.1437","0.0573","","","0.1623","0.1813","","","","","","0.812","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001430","18","0.02","18","0.02","18.46","0.02","90","","90","","120","","5180","10","153","2","","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C24 H66 Co N6 O46 P S6 W12 -","- C24 H66 Co N6 O46 P S6 W12 -","- C72 H198 Co3 N18 O138 P3 S18 W36 -","3","0.166667","","Uchida, Sayaka; Hikichi, Shiro; Akatsuka, Takeo; Tanaka, Toshiyuki; Kawamoto, Ryosuke; Lesbani, Aldes; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka","Preparation of Monodispersed Nanoparticles by Electrostatic Assembly of Keggin-Type Polyoxometalates and 1,4,7-Triazacyclononane-Based Transition-Metal Complexes","Chemistry of Materials","2007","19","19","4694","","10.1021/cm071565y","","","0.7107","MoKα","","","0.1103","","","","0.2293","","","","","","1.203","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001431","6.196","0.004","15.428","0.011","9.697","0.007","90","","94.494","0.012","90","","924.1","1.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Tyr-Aib-Ala","Tyrosyl-alpha-aminoisobutyryl-alanine monohydrate","","- C16 H25 N3 O6 -","- C16 H23 N3 O6 -","- C32 H46 N6 O12 -","2","1","","Bose, Partha Pratim; Das, Apurba Kr.; Hegde, Raghurama P.; Shamala, Narayanaswami; Banerjee, Arindam","pH-Sensitive Nanostructural Transformation of a Synthetic Self-Assembling Water-Soluble Tripeptide: Nanotube to Nanovesicle","Chemistry of Materials","2007","19","25","6150","","10.1021/cm0716147","","","0.71073","MoKα","","0.1511","0.0829","","","0.1707","0.1951","","","","","","0.926","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001432","23.211","0.003","7.7363","0.0007","12.7856","0.0018","90","","99.276","0.017","90","","2265.9","0.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Cp2Co, Ni(tfadt)2","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C72 H40 Co4 F24 N8 Ni4 S16 -","4","0.5","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.1162","0.0423","","","0.0999","0.1197","","","","","","0.92","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4001433","23.18","0.003","7.7477","0.0005","12.7587","0.0011","90","","99.309","0.012","90","","2261.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","Cp2Co, Ni(tfadt)2)","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C72 H40 Co4 F24 N8 Ni4 S16 -","4","0.5","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.0734","0.0457","","","0.1233","0.1388","","","","","","1.033","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001434","12.3208","0.0014","12.6666","0.0012","15.3798","0.0016","82.475","0.012","67.071","0.012","80.971","0.013","2176.7","0.4","198","2","198","2","","","","","","","","7","P -1","-P 1","2","Cp2Co, Ni(tfadt)2","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C72 H40 Co4 F24 N8 Ni4 S16 -","4","2","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.0693","0.0419","","","0.1128","0.1521","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001435","12.2269","0.0016","12.7554","0.0015","14.8842","0.0018","78.428","0.014","70.997","0.014","79.285","0.014","2131.9","0.5","140","2","140","2","","","","","","","","7","P -1","-P 1","2","Cp2Co, Ni(tfadt)2","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C72 H40 Co4 F24 N8 Ni4 S16 -","4","2","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.0824","0.0423","","","0.1029","0.1402","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001436","7.8202","0.0011","11.5705","0.0018","12.77","0.0017","74.115","0.017","82.87","0.016","76.892","0.017","1080","0.3","170","2","170","2","","","","","","","","7","P -1","-P 1","2","Cp2Co, Ni(tfadt)2)","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C36 H20 Co2 F12 N4 Ni2 S8 -","2","1","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.1058","0.0651","","","0.1652","0.1891","","","","","","0.917","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4001437","7.859","0.005","11.601","0.005","12.792","0.005","74.405","0.005","83.095","0.005","76.063","0.005","1088.3","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","Cp2Co, Ni(tfadt)2","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C36 H20 Co2 F12 N4 Ni2 S8 -","2","1","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.1145","0.0652","","","0.1646","0.1879","","","","","","0.923","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4001438","12.333","0.002","12.6886","0.0018","15.462","0.002","82.416","0.017","66.981","0.017","80.951","0.018","2192.6","0.6","210","2","210","2","","","","","","","","7","P -1","-P 1","2","Cp2Co, Ni(tfadt)2","","","- C18 H10 Co F6 N2 Ni S4 -","- C18 H10 Co F6 N2 Ni S4 -","- C72 H40 Co4 F24 N8 Ni4 S16 -","4","2","","Jeannin, Olivier; Clérac, Rodolphe; Fourmigué, Marc","Phase Competition and Weak Hydrogen Bonding in the Giant Hysteresis of an S = 1/2 Nickel Dithiolene Complex: Combined Structural and Magnetic Studies","Chemistry of Materials","2007","19","24","5946","","10.1021/cm071652q","","","0.71073","MoKα","","0.1538","0.0727","","","0.1786","0.1988","","","","","","0.988","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4001439","10.3522","0.0005","10.3522","0.0005","4.1784","0.0005","90","","90","","90","","447.79","0.06","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Co4 Dy7 Ge12 In -","- Co4 Dy7 Ge12 In -","- Co4 Dy7 Ge12 In -","1","0.125","","Chondroudi, Maria; Balasubramanian, Mahalingam; Welp, Ulrich; Kwok, Wai-K.; Kanatzidis, Mercouri G.","Mixed Valency in Yb7Co4InGe12: A Novel Intermetallic Compound Stabilized in Liquid Indium","Chemistry of Materials","2007","19","19","4769","","10.1021/cm071687q","","","0.71073","MoKα","","0.0336","0.0258","","","0.0552","0.058","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001440","10.357","0.003","10.357","0.003","4.1538","0.0015","90","","90","","90","","445.6","0.2","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Co4 Ge12 Ho7 In -","- Co4 Ge12 Ho7 In -","- Co4 Ge12 Ho7 In -","1","0.125","","Chondroudi, Maria; Balasubramanian, Mahalingam; Welp, Ulrich; Kwok, Wai-K.; Kanatzidis, Mercouri G.","Mixed Valency in Yb7Co4InGe12: A Novel Intermetallic Compound Stabilized in Liquid Indium","Chemistry of Materials","2007","19","19","4769","","10.1021/cm071687q","","","0.71073","MoKα","","0.0496","0.0464","","","0.1141","0.1152","","","","","","1.299","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001441","10.2937","0.0007","10.2937","0.0007","4.1518","0.0005","90","","90","","90","","439.93","0.07","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Co4 Ge12 In Yb7 -","- Co4 Ge12 In Yb7 -","- Co4 Ge12 In Yb7 -","1","0.125","","Chondroudi, Maria; Balasubramanian, Mahalingam; Welp, Ulrich; Kwok, Wai-K.; Kanatzidis, Mercouri G.","Mixed Valency in Yb7Co4InGe12: A Novel Intermetallic Compound Stabilized in Liquid Indium","Chemistry of Materials","2007","19","19","4769","","10.1021/cm071687q","","","0.71073","MoKα","","0.0332","0.0304","","","0.071","0.0723","","","","","","1.126","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001442","21.3215","0.0006","12.6721","0.0004","13.4677","0.0004","90","","121.974","0.002","90","","3086.76","0.17","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cu2 N2 O8 -","- C30 H36 Cu2 N2 O8 -","- C120 H144 Cu8 N8 O32 -","4","0.5","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","0.1332","0.0658","","","0.1505","0.1832","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001443","21.2692","0.0016","12.5647","0.0006","13.4995","0.001","90","","121.843","0.002","90","","3064.7","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H36 Cu2 N2 O8 -","- C30 H36 Cu2 N2 O8 -","- C120 H144 Cu8 N8 O32 -","4","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","","0.0402","","","0.1085","0.1112","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001444","7.7316","0.0009","11.6883","0.0012","17.2033","0.0018","90","","101.228","0.004","90","","1524.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N2 O8 Zn2 -","- C30 H36 N2 O8 Zn2 -","- C60 H72 N4 O16 Zn4 -","2","0.5","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","","0.0521","","","0.1487","0.1614","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001445","7.7559","0.0019","11.598","0.003","17.588","0.005","90","","102.64","0.002","90","","1543.7","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O8 Zn2 -","- C30 H36 N2 O8 Zn2 -","- C60 H72 N4 O16 Zn4 -","2","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","","0.0328","","","0.0865","0.1045","","","","","","1.086","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001446","9.5125","0.0003","11.3212","0.0003","18.4446","0.0004","104.879","0.002","92.208","0.002","95.825","0.002","1905.52","0.09","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H43 Cd2 N3 O8 -","- C38 H43 Cd2 N3 O8 -","- C76 H86 Cd4 N6 O16 -","2","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","0.0771","0.0444","","","0.1004","0.1274","","","","","","0.937","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001447","18.8494","0.0007","10.8373","0.0004","19.0705","0.0007","90","","102.786","0.002","90","","3799.1","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H86 Cd4 N6 O16 -","- C76 H86 Cd4 N6 O16 -","- C152 H172 Cd8 N12 O32 -","2","1","","Zhang, Jian; Yao, Yuan-Gen; Bu, Xianhui","Comparative Study of Homochiral and Racemic Chiral Metal-Organic Frameworks Built from Camphoric Acid","Chemistry of Materials","2007","19","21","5083","","10.1021/cm071689a","","","0.71073","MoKα","","0.0493","0.0352","","","0.0655","0.0699","","","","","","0.904","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001448","17.9391","0.0003","17.9391","0.0003","38.4446","0.0013","90","","90","","120","","10714.4","0.4","150","2","150","2","","","","","","","","8","P 63 2 2","P 6c 2c","182","","","","- C221 H192 Ag5 Cl0 F15 N24 O15 S5 -","- C220.98 H192 Ag5 F14.94 N24 O14.94 S5.01 -","- C441.96 H384 Ag10 F29.88 N48 O29.88 S10.02 -","2","0.166667","","Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Lu, Tong-Bu; Tong, Ye-Xiang; Su, Cheng-Yong","Discrete Chiral Single-Crystal Microtubes Assembled with Honeycomb Coordination Networks Showing Structural Diversity and Borromean Topology in One Single Crystal","Chemistry of Materials","2007","19","19","4630","","10.1021/cm071767u","","","1.54187","CuKα","","0.1121","0.0678","","","0.1449","0.1587","","","","","","1.01","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001449","17.9074","0.0004","17.9074","0.0004","38.5402","0.0017","90","","90","","120","","10703.1","0.6","150","2","150","2","","","","","","","","8","P 63 2 2","P 6c 2c","182","","","","- C221 H192 Ag5 Cl0 F15 N24 O15 S5 -","- C220.98 H192 Ag5 F14.94 N24 O14.94 S5.01 -","- C441.96 H384 Ag10 F29.88 N48 O29.88 S10.02 -","2","0.166667","","Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Lu, Tong-Bu; Tong, Ye-Xiang; Su, Cheng-Yong","Discrete Chiral Single-Crystal Microtubes Assembled with Honeycomb Coordination Networks Showing Structural Diversity and Borromean Topology in One Single Crystal","Chemistry of Materials","2007","19","19","4630","","10.1021/cm071767u","","","1.54187","CuKα","","0.1115","0.0757","","","0.1649","0.1791","","","","","","1.015","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001450","7.524","0.0011","7.524","0.0011","14.746","0.003","90","","90","","120","","722.9","0.2","100","2","100","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C8 H30 Al4 Ge6 N6 O20 -","- C7.96 Al4.028 Ge5.972 N6.02 O20 -","- C7.96 Al4.028 Ge5.972 N6.02 O20 -","1","0.0833333","","Shi, Lei; Christensen, Kirsten E.; Jansson, Kjell; Sun, Junliang; Zou, Xiaodong","Synthesis and Characterization of an Aluminogermanate SU-46 with a Zeolite Structure","Chemistry of Materials","2007","19","24","5973","","10.1021/cm071790f","","","0.71073","MoKα","","0.0315","0.0251","","","0.0636","0.0647","","","","","","1.062","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001451","17.1841","0.0009","12.4648","0.0007","6.7661","0.0004","90","","90","","90","","1449.27","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","","Kim, Tae Ho; Seo, Joobeom; Lee, Soo Jin; Lee, Shim Sung; Kim, Jineun; Jung, Jong Hwa","Strongly Fluorescent Hydrogel as a Blue-Emitting Nanomaterial: An Approach toward Understanding Fluorescence−Structure Relationship","Chemistry of Materials","2007","19","24","5815","","10.1021/cm701880e","","","0.71073","MoKα","","0.0817","0.0718","","","0.1438","0.1478","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001452","7.6293","0.0009","8.9099","0.0011","12.3769","0.0015","72.542","0.002","72.226","0.002","77.396","0.002","756.81","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","1","","Kim, Tae Ho; Seo, Joobeom; Lee, Soo Jin; Lee, Shim Sung; Kim, Jineun; Jung, Jong Hwa","Strongly Fluorescent Hydrogel as a Blue-Emitting Nanomaterial: An Approach toward Understanding Fluorescence−Structure Relationship","Chemistry of Materials","2007","19","24","5815","","10.1021/cm701880e","","","0.71073","MoKα","","0.1303","0.0728","","","0.1299","0.1478","","","","","","1.023","","","","has coordinates","288253","2023-12-12","14:36:09",""
"4001453","8.92","0.0018","11.111","0.002","11.748","0.002","110.96","0.03","100.17","0.03","94.53","0.03","1057.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N7 O9 -","- C18 H18 N7 O9 -","- C36 H36 N14 O18 -","2","1","","Kim, Tae Ho; Seo, Joobeom; Lee, Soo Jin; Lee, Shim Sung; Kim, Jineun; Jung, Jong Hwa","Strongly Fluorescent Hydrogel as a Blue-Emitting Nanomaterial: An Approach toward Understanding Fluorescence−Structure Relationship","Chemistry of Materials","2007","19","24","5815","","10.1021/cm701880e","","","0.82657","synchrotron","","0.1455","0.1307","","","0.378","0.4041","","","","","","2.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001454","6.9716","0.0009","7.0279","0.0009","9.4593","0.0013","90","","99.188","0.002","90","","457.52","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ammonium tungsten tellurite","","- H8 N2 O8 Te2 W -","- N2 O8 Te2 W -","- N4 O16 Te4 W2 -","2","1","","Kim, Jun-Ho; Baek, Jaewook; Halasyamani, P. Shiv","(NH4)2Te2WO8: A New Polar Oxide with Second-Harmonic Generating, Ferroelectric, and Pyroelectric Properties","Chemistry of Materials","2007","19","23","5637","","10.1021/cm7019334","","","0.71073","MoKα","","0.0359","0.0318","","","0.0597","0.0607","","","","","","0.922","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001455","19.767","0.002","7.6608","0.001","14.602","0.002","90","","111.66","0.006","90","","2055.1","0.4","90","","90","","","","","","","","local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 B11 O3 S -","- C12 H27 B11 O3 S -","- C48 H108 B44 O12 S4 -","4","1","","Hao, Erhong; Fabre, Bruno; Fronczek, Frank R.; Vicente, M. Graça H.","Syntheses and Electropolymerization of Carboranyl-Functionalized Pyrroles and Thiophenes","Chemistry of Materials","2007","19","25","6195","","10.1021/cm701935n","","","0.71073","MoKα","","0.071","0.044","","","0.105","0.115","","","","","","1.034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001456","17.049","0.003","7.9948","0.0011","12.027","0.002","90","","103.844","0.007","90","","1591.7","0.4","115","","115","","","","","","","","local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 B10 I -","- C10 H19 B10 I -","- C40 H76 B40 I4 -","4","1","","Hao, Erhong; Fabre, Bruno; Fronczek, Frank R.; Vicente, M. Graça H.","Syntheses and Electropolymerization of Carboranyl-Functionalized Pyrroles and Thiophenes","Chemistry of Materials","2007","19","25","6195","","10.1021/cm701935n","","","0.71073","MoKα","","0.028","0.025","","","0.064","0.061","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001457","18.803","0.003","7.8137","0.0012","12.159","0.002","90","","101.279","0.007","90","","1751.9","0.5","90","","90","","","","","","","","local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B10 S -","- C14 H22 B10 S -","- C56 H88 B40 S4 -","4","1","","Hao, Erhong; Fabre, Bruno; Fronczek, Frank R.; Vicente, M. Graça H.","Syntheses and Electropolymerization of Carboranyl-Functionalized Pyrroles and Thiophenes","Chemistry of Materials","2007","19","25","6195","","10.1021/cm701935n","","","0.71073","MoKα","","0.064","0.046","","","0.109","0.119","","","","","","1.022","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001458","20.998","0.004","4.026","0.0008","12.149","0.002","90","","119","0.03","90","","898.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Cadimum Antimony Selenobromide","","","- Br2 Cd Sb2 Se3 -","- Br2 Cd Sb2 Se3 -","- Br8 Cd4 Sb8 Se12 -","4","0.5","","Wang, Lei; Hwu, Shiou-Jyh","A New Series of Chalcohalide Semiconductors with Composite CdBr2/Sb2Se3Lattices: Synthesis and Characterization of CdSb2Se3Br2and Indium Derivatives InSb2S4X (X = Cl and Br) and InM2Se4Br (M = Sb and Bi)","Chemistry of Materials","2007","19","25","6212","","10.1021/cm701995d","","","0.71073","MoKα","","0.059","0.0566","","","0.133","0.1357","","","","","","1.142","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001459","19.877","0.004","3.852","0.0008","11.484","0.002","90","","117.75","0.03","90","","778.2","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Indium Antimony Sulfochloride","","","- Cl In S4 Sb2 -","- Cl In S4 Sb2 -","- Cl4 In4 S16 Sb8 -","4","0.5","","Wang, Lei; Hwu, Shiou-Jyh","A New Series of Chalcohalide Semiconductors with Composite CdBr2/Sb2Se3Lattices: Synthesis and Characterization of CdSb2Se3Br2and Indium Derivatives InSb2S4X (X = Cl and Br) and InM2Se4Br (M = Sb and Bi)","Chemistry of Materials","2007","19","25","6212","","10.1021/cm701995d","","","0.71073","MoKα","","0.0325","0.0303","","","0.0726","0.0739","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001460","20.177","0.004","3.867","0.0008","11.66","0.002","90","","119.13","0.03","90","","794.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Indium Antimony Sulfobromide","","","- Br In S4 Sb2 -","- Br In S4 Sb2 -","- Br4 In4 S16 Sb8 -","4","0.5","","Wang, Lei; Hwu, Shiou-Jyh","A New Series of Chalcohalide Semiconductors with Composite CdBr2/Sb2Se3Lattices: Synthesis and Characterization of CdSb2Se3Br2and Indium Derivatives InSb2S4X (X = Cl and Br) and InM2Se4Br (M = Sb and Bi)","Chemistry of Materials","2007","19","25","6212","","10.1021/cm701995d","","","0.71073","MoKα","","0.062","0.0496","","","0.0985","0.1038","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001461","20.772","0.004","4.002","0.0008","11.939","0.002","90","","118.14","0.03","90","","875.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Indium Antimony Selenobromide","","","- Br In Sb2 Se4 -","- Br In Sb2 Se4 -","- Br4 In4 Sb8 Se16 -","4","0.5","","Wang, Lei; Hwu, Shiou-Jyh","A New Series of Chalcohalide Semiconductors with Composite CdBr2/Sb2Se3Lattices: Synthesis and Characterization of CdSb2Se3Br2and Indium Derivatives InSb2S4X (X = Cl and Br) and InM2Se4Br (M = Sb and Bi)","Chemistry of Materials","2007","19","25","6212","","10.1021/cm701995d","","","0.71073","MoKα","","0.0704","0.0555","","","0.1211","0.1269","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001462","20.832","0.004","4.114","0.0008","11.958","0.002","90","","118.15","0.03","90","","903.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Indium Bismuth Selenobromide","","","- Bi2 Br In Se4 -","- Bi2 Br In Se4 -","- Bi8 Br4 In4 Se16 -","4","0.5","","Wang, Lei; Hwu, Shiou-Jyh","A New Series of Chalcohalide Semiconductors with Composite CdBr2/Sb2Se3Lattices: Synthesis and Characterization of CdSb2Se3Br2and Indium Derivatives InSb2S4X (X = Cl and Br) and InM2Se4Br (M = Sb and Bi)","Chemistry of Materials","2007","19","25","6212","","10.1021/cm701995d","","","0.71073","MoKα","","0.0278","0.0263","","","0.0595","0.0604","","","","","","1.202","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001463","5.3143","0.0002","8.208","0.0003","12.725","0.0006","90","","90.192","0.004","90","","555.06","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","strontium zinc diphosphate","strontium zinc diphosphate","","- O7 P2 Sr Zn -","- O7 P2 Sr Zn -","- O28 P8 Sr4 Zn4 -","4","1","","Höppe, Henning A.; Daub, Michael; Bröhmer, Manuel C.","Coactivation of α-Sr(PO3)2and SrM(P2O7) (M = Zn, Sr) with Eu2+and Mn2+","Chemistry of Materials","2007","19","25","6358","","10.1021/cm702292x","","","0.71073","MoKα","","0.0649","0.035","","","0.0645","0.0701","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001464","8.814","0.002","8.591","0.002","27.644","0.005","90","","90","","90","","2093.2","0.8","273.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 I4 N2 Sn -","- C32 I16 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0709","","","","0.1715","","","","","","1.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001465","8.9315","0.0007","26.023","0.003","8.4082","0.0007","90","","90","","90","","1954.3","0.3","128.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 I4 N2 Sn -","- C32 I16 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.1081","","","","0.2642","","","","","","1.965","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001466","12.648","0.001","12.225","0.001","20.605","0.002","90","","97.434","0.002","90","","3159.2","0.5","273.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H16 I4 N2 Sn -","- C5 I4 N2 Sn -","- C40 I32 N16 Sn8 -","8","1","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.062","","","","0.2183","","","","","","1.834","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001467","32.299","0.004","6.1042","0.0007","6.1378","0.0007","90","","93.961","0.004","90","","1207.2","0.2","203.2","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H24 I4 N2 Sn -","- C16 I4 N2 Sn -","- C32 I8 N4 Sn2 -","2","0.25","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0341","","","","0.1043","","","","","","1.622","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001468","36.695","0.001","8.5068","0.0003","8.7454","0.0002","90","","90","","90","","2729.94","0.14","293.2","","","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C16 H32 I4 N2 O4 Sn -","- C16 I4 N2 O4 Sn -","- C64 I16 N8 O16 Sn4 -","4","","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0506","","","","0.1348","","","","","","1.758","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001469","8.95","0.001","8.392","0.001","15.393","0.002","90","","92.268","0.003","90","","1155.2","0.2","295.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C8 H22 I6 N2 Sn -","- C8 I6 N2 Sn -","- C16 I12 N4 Sn2 -","2","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0734","","","","0.174","","","","","","1.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001470","8.8871","0.0003","9.2148","0.0003","24.1897","0.0009","90","","90","","90","","1980.96","0.12","273.2","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Sn -","- C8 I4 N2 O4 Sn -","- C32 I16 N8 O16 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0492","","","","0.1457","","","","","","1.613","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001471","6.4411","0.0004","20.729","0.001","12.7965","0.0008","90","","95.6","0.002","90","","1700.4","0.17","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 I4 N2 Sn -","- C7 I4 N2 Sn -","- C28 I16 N8 Sn4 -","4","1","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0573","","","","0.1177","","","","","","1.432","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001472","8.731","0.0004","25.416","0.001","9.5516","0.0006","90","","90","","90","","2119.57","0.18","293.2","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 I6 N2 Sn -","- C10 I6 N2 Sn -","- C40 I24 N8 Sn4 -","4","0.5","","Takahashi, Yukari; Obara, Rena; Nakagawa, Kohei; Nakano, Masayuki; Tokita, Jun-ya; Inabe, Tamotsu","Tunable Charge Transport in Soluble Organic‒Inorganic Hybrid Semiconductors","Chemistry of Materials","2007","19","25","6312","","10.1021/cm702405c","","","0.7107","MoKα","","","0.0548","","","","0.1497","","","","","","1.957","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001473","6.377","0.003","14.534","0.007","12.919","0.007","90","","94.683","0.011","90","","1193.4","1","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 S4 -","- C12 H12 S4 -","- C48 H48 S16 -","4","1","","Takahashi, Yukihiro; Hasegawa, Tatsuo; Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori; Saito, Gunji","High Mobility Organic Field-Effect Transistor Based on Hexamethylenetetrathiafulvalene with Organic Metal Electrodes","Chemistry of Materials","2007","19","26","6382","","10.1021/cm702690w","","","0.688","synchrotron","","","0.0571","","","","0.0687","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001474","12.2392","0.0004","12.2392","0.0004","12.4357","0.0009","90","","90","","120","","1613.27","0.14","293","2","293","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Sb5 Zn5.92 -","- Sb5 Zn5.916 -","- Sb30 Zn35.496 -","6","0.166667","","Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.","Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions","Chemistry of Materials","2006","18","3","822","","10.1021/cm0515505","","","0.71073","MoKα","","0.0238","0.0228","","","0.0543","0.0548","","","","","","1.122","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001475","10.8779","0.0015","12.2252","0.0017","8.1847","0.0011","90","","100.044","0.002","90","","1071.8","0.3","238","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Sb5 Zn6.03 -","- Sb5 Zn6.02 -","- Sb20 Zn24.08 -","4","0.5","","Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.","Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions","Chemistry of Materials","2006","18","3","822","","10.1021/cm0515505","","","0.71073","MoKα","","0.0334","0.026","","","0.0621","0.0662","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001476","9.5354","","9.5354","","15.7676","","90","","90","","120","","1241.58","","293","","293","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate","","- B H6 O10 P2 Sc -","- B O10 P2 Sc -","- B6 O60 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","powder diffraction","","1.54059","CuKα1","","0.0377","0.0366","","","0.0304","0.0305","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001477","9.5752","0.0003","9.5752","0.0003","15.8145","0.0006","90","","90","","120","","1255.69","0.07","293","2","295.15","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate monohydrate","","- B H6 O11 P2 Sc -","- B H4 O11 P2 Sc -","- B6 H24 O66 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","","","0.7107","MoKα","","","0.033","","","","0.08","","","","","","1.275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001478","9.5739","","9.5739","","15.8069","","90","","90","","120","","1254.74","","293","","293","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate monohydrate","","- B H6 O11 P2 Sc -","- B O11 P2 Sc -","- B6 O66 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","powder diffraction","","1.54059","CuKα1","","0.0348","0.0344","","","0.0343","0.0343","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001479","13.099","0.003","14.454","0.003","16.987","0.004","90","","97.546","0.004","90","","3188.3","1.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","04088bbb","N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase IV]","","- C9 H16 F6 N2 O4 S2 -","- C9 H16 F6 N2 O4 S2 -","- C72 H128 F48 N16 O32 S16 -","8","2","","Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.","Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide","Chemistry of Materials","2006","18","4","934","938","10.1021/cm051936f","","","0.71073","MoKα","","0.0718","0.0587","","","0.1549","0.1613","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001480","8.5425","0.0014","9.6978","0.0016","11.2219","0.0018","88.487","0.003","73.119","0.003","68.294","0.003","823.1","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","04086bb","N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase III]","","- C9 H16 F6 N2 O4 S2 -","- C9 H16 F6 N2 O4 S2 -","- C18 H32 F12 N4 O8 S4 -","2","1","","Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.","Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide","Chemistry of Materials","2006","18","4","934","938","10.1021/cm051936f","","","0.71073","MoKα","","0.1166","0.0864","","","0.2658","0.2931","","","","","","1.097","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001481","9.05294","0.00006","9.05294","","9.05294","","90","","90","","90","","741.94","0.005","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Co In0.05 Sb3 -","- Co In0.05 Sb3 -","- Co8 In0.4 Sb24 -","8","0.166667","","He, Tao; Chen, Jiazhong; Rosenfeld, H. David; Subramanian, M. A.","Thermoelectric Properties of Indium-Filled Skutterudites","Chemistry of Materials","2006","18","3","759","","10.1021/cm052055b","powder diffraction","x-ray","0.351164","","","","","","","","","0.05684","","1.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001482","8.6232","0.0004","9.2261","0.0004","28.4554","0.0013","90","","95.988","0.001","90","","2251.52","0.18","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11-(1-pyrenemethoxy)-undecanebromide","","- C28 H33 Br O -","- C28 H33 Br O -","- C112 H132 Br4 O4 -","4","1","","Ma, Dongling; Guan, Jingwen; Dénommée, Stéphane; Enright, Gary; Veres, Teodor; Simard, Benoit","Multifunctional Nano-Architecture for Biomedical Applications","Chemistry of Materials","2006","18","7","1920","","10.1021/cm052067x","","","0.71073","MoKα","","0.0678","0.0421","","","0.1013","0.1092","","","","","","0.968","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001483","18.859","0.009","6.915","0.003","11.256","0.006","90","","90.54","0.02","90","","1467.8","1.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H19.5 Al N2 O9.25 P2 -","- C6 H14 Al N2 O9.27 P2 -","- C24 H56 Al4 N8 O37.08 P8 -","4","0.5","","Serre, Christian; Groves, John A.; Lightfoot, Philip; Slawin, Alexandra M. Z.; Wright, Paul A.; Stock, Norbert; Bein, Thomas; Haouas, Mohamed; Taulelle, Francis; Férey, Gérard","Synthesis, Structure and Properties of Related MicroporousN,N‘-Piperazinebismethylenephosphonates of Aluminum and Titanium","Chemistry of Materials","2006","18","6","1451","","10.1021/cm052149l","","","1.54178","CuKα","","0.1651","0.1387","","","0.3233","0.3393","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001484","9.8645","0.0006","10.3255","0.0008","13.7712","0.0008","87.905","0.005","75.981","0.005","80.712","0.002","1343.05","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0722","0.0438","","","0.0921","0.1054","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001485","9.9829","0.0005","10.4011","0.0005","13.7363","0.0008","88.374","0.002","75.559","0.002","80.95","0.002","1363.94","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0816","0.0472","","","0.1068","0.1272","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001486","9.8769","0.0003","10.3545","0.0003","13.7442","0.0004","87.8389","0.0012","76.1174","0.0013","80.4897","0.0012","1345.81","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0525","0.0384","","","0.0959","0.1071","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001487","10.676","0.0005","11.3","0.0006","11.393","0.0009","101.256","0.002","96.755","0.002","97.342","0.005","1322.51","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.118","0.0489","","","0.1073","0.1571","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001488","10.7248","0.0002","11.3782","0.0003","11.4166","0.0003","100.975","0.001","96.905","0.001","98.813","0.002","1335.41","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0705","0.0441","","","0.1088","0.1244","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001489","10.673","0.0003","11.333","0.0003","11.401","0.0004","101.22","0.001","96.719","0.001","97.577","0.001","1326.35","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0878","0.0514","","","0.1308","0.153","","","","","","1.034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001490","10.719","0.0003","11.41","0.0003","11.433","0.0003","100.894","0.001","97.014","0.001","99.116","0.001","1338.98","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S12 Se4 -","- C38 H22 Ga I4 N6 S12 Se4 -","- C38 H22 Ga I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0684","0.0522","","","0.1448","0.1579","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001491","9.585","0.0019","3.991","0.0008","12.443","0.003","90","","90","","90","","475.99","0.18","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd Cl S2 Sb -","- Cd Cl S2 Sb -","- Cd4 Cl4 S8 Sb4 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0246","0.0201","","","0.042","0.0431","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001492","12.938","0.003","3.931","0.0008","9.661","0.0019","90","","91.11","0.03","90","","491.26","0.18","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Br Cd S2 Sb -","- Br Cd S2 Sb -","- Br4 Cd4 S8 Sb4 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0287","0.0254","","","0.0538","0.0551","","","","","","1.153","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001493","9.541","0.002","3.97","0.0008","12.545","0.003","90","","90","","90","","475.18","0.18","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","Cadimum Bismuth Sulfochloride","","","- Bi Cd Cl S2 -","- Bi Cd Cl S2 -","- Bi4 Cd4 Cl4 S8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0263","0.0259","","","0.0603","0.0604","","","","","","1.113","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001494","12.977","0.003","4.012","0.0008","9.584","0.0019","90","","91.07","0.03","90","","498.89","0.18","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi Br Cd S2 -","- Bi Br Cd S2 -","- Bi4 Br4 Cd4 S8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.048","0.0416","","","0.0967","0.0989","","","","","","1.196","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001495","10.025","0.002","4.119","0.0008","13.143","0.003","90","","90","","90","","542.7","0.2","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Br Cd Se2 -","- Bi Br Cd Se2 -","- Bi4 Br4 Cd4 Se8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0291","0.0258","","","0.0576","0.0588","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001496","13.659","0.003","4.192","0.0008","10.193","0.002","90","","90.88","0.03","90","","583.6","0.2","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi Cd I Se2 -","- Bi Cd I Se2 -","- Bi4 Cd4 I4 Se8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.027","0.0251","","","0.0602","0.061","","","","","","1.125","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001497","8.7115","0.0009","14.345","0.0015","15.2657","0.0016","90","","90.105","0.002","90","","1907.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La7.13 S24 Sb8.87 -","- La7.134 S24 Sb8.866 -","- La14.268 S48 Sb17.732 -","2","0.5","","Assoud, Abdeljalil; Kleinke, Katja M.; Kleinke, Holger","Synthesis, Structure, and Electronic Structure of the Ternary Sulfide La7Sb9S24","Chemistry of Materials","2006","18","4","1041","","10.1021/cm052254v","","","0.71073","MoKα","","0.0551","0.0432","","","0.0837","0.0888","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001498","8.6829","0.0004","14.3334","0.0007","15.2691","0.0008","90","","90.077","0.001","90","","1900.32","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La6.7 S24 Sb9.3 -","- La6.704 S24 Sb9.296 -","- La13.408 S48 Sb18.592 -","2","0.5","","Assoud, Abdeljalil; Kleinke, Katja M.; Kleinke, Holger","Synthesis, Structure, and Electronic Structure of the Ternary Sulfide La7Sb9S24","Chemistry of Materials","2006","18","4","1041","","10.1021/cm052254v","","","0.71073","MoKα","","0.0337","0.0286","","","0.0631","0.0655","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001499","7.8762","0.0011","7.8762","0.0011","7.1237","0.0014","90","","90","","120","","382.71","0.11","291","2","291","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al4 H6 O18 P6 -","- Al4 H6 O18 P6 -","- Al4 H6 O18 P6 -","1","0.0833333","","Li, Niu; Ma, Yanfeng; Xiang, Shouhe; Guan, Naijia","Capturing an Aluminophosphite Intermediate in the New Route of Synthesizing Zeolite-like Aluminophosphates","Chemistry of Materials","2006","18","4","975","","10.1021/cm052327a","","","0.71073","MoKα","","0.0504","0.0444","","","0.1159","0.1207","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001500","10.608","0.002","11.462","0.002","9.1332","0.0018","90","","112.36","0.03","90","","1027","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ammonium tricyanomelaminate","Diammonium hydrogen tricyanomelaminate","","- C6 H9 N11 -","- C6 H9 N11 -","- C24 H36 N44 -","4","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.0471","0.0295","","","0.068","0.0721","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001501","7.6212","0.0015","13.336","0.003","18.566","0.004","90","","90","","90","","1887","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Guanidinium tricyanomelaminate hydrate","Triguanidinium tricyanomelaminate dihydrate","","- C9 H22 N18 O2 -","- C9 H22 N18 O2 -","- C36 H88 N72 O8 -","4","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.0277","0.0253","","","0.0652","0.0666","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001502","10.295","0.002","11.203","0.002","11.207","0.002","104.22","0.03","112.74","0.03","104.62","0.03","1064.8","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Melaminium tricyanomelaminate hydrate","Dimelaminium hydrogen tricyanomelaminate hydrate","","- C12 H19.8 N21 O2.4 -","- C12 H19.798 N21 O2.399 -","- C24 H39.596 N42 O4.798 -","2","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.1015","0.057","","","0.123","0.1458","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001503","18.0998","0.0012","5.703","0.0004","23.1988","0.0016","90","","104.633","0.001","90","","2317","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H K0.75 Na0.25 Np O6.5 S -","- H K0.75 Na0.25 Np O6.5 S -","- H16 K12 Na4 Np16 O104 S16 -","16","2","","Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.","Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework","Chemistry of Materials","2006","18","6","1643","","10.1021/cm0523687","","","0.71073","MoKα","","0.0405","0.0351","","","0.0717","0.0736","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001504","18.3638","0.0013","5.6424","0.0004","23.5512","0.0017","90","","103.366","0.002","90","","2374.2","0.3","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium neptunyl sulfate hydrate","sodium neptunyl sulfate dihydrate","","- H1.6 Na0.8 Np0.8 O5.6 S0.8 -","- H1.6 Na0.8 Np0.8 O5.6 S0.8 -","- H32 Na16 Np16 O112 S16 -","20","2.5","","Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.","Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework","Chemistry of Materials","2006","18","6","1643","","10.1021/cm0523687","","","0.71073","MoKα","","0.0623","0.0363","","","0.0596","0.0667","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001505","8.8932","0.0011","9.0338","0.0011","10.6253","0.0013","72.445","0.002","75.252","0.002","74.819","0.002","771.04","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 F2 In3 N4 O16 P4 -","- C20 H21 F2 In3 N4 O16 P4 -","- C20 H21 F2 In3 N4 O16 P4 -","1","0.5","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.0255","0.0238","","","0.062","0.0633","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001506","7.8843","0.0017","10.321","0.002","11.395","0.002","107.139","0.003","105.101","0.003","99.328","0.003","826.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H12 F2 In2 N2 O9 P2 -","- C10 H10 F2 In2 N2 O9 P2 -","- C20 H20 F4 In4 N4 O18 P4 -","2","1","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.0476","0.0409","","","0.0948","0.0973","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001507","7.899","0.003","10.405","0.004","11.387","0.005","108.01","0.03","104.52","0.03","99.36","0.02","831.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H13 F2 In2 N3 O9 P2 -","- C10 H11 F2 In2 N3 O9 P2 -","- C20 H22 F4 In4 N6 O18 P4 -","2","1","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.1094","0.0598","","","0.1222","0.1397","","","","","","0.907","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001508","12.4938","0.0014","12.4938","0.0014","3.9519","0.0002","90","","90","","90","","616.87","0.1","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba1.938 Bi0.375 Nb5 O15 -","- Ba1.9374 Bi0.3752 Nb5 O15 -","- Ba3.8748 Bi0.7504 Nb10 O30 -","2","0.25","","Muktha, B.; Simon, A.; Darriet, J.; Guru Row, T. N.","Crystal Chemistry of a New Solid Solution in the BaO−Bi2O3−Nb2O5System: Ba5x/2Bi(1-x)5/3Nb5O15","Chemistry of Materials","2006","18","5","1240","","10.1021/cm052422j","","","0.71069","MoKα","","0.0341","0.0341","","","0.084","0.084","","","","1.93","1.93","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001509","12.1819","0.0002","15.947","0.0003","11.0751","0.0002","90","","90.056","0.001","90","","2151.5","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H36 B20 -","- C7 H36 B20 -","- C28 H144 B80 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.0798","0.0707","","0.1464","0.1393","","","","1.131","1.133","1.133","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001510","10.906","0.002","13.048","0.002","10.811","0.002","90","","117.287","0.003","90","","1367.2","0.4","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H22 B10 -","- C7 H22 B10 -","- C28 H88 B40 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.0892","0.0763","","","0.2025","0.2171","","","","","","1.066","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4001511","10.969","0.004","21.912","0.008","10.902","0.004","90","","90","","90","","2620.3","1.7","143","1","143","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H22 B10 -","- C6 H22 B10 -","- C48 H176 B80 -","8","2","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.16","0.129","","","0.2905","0.3198","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001512","16.0442","0.001","18.9546","0.0012","20.9652","0.0014","99.598","0.002","111.061","0.001","110.305","0.001","5261.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H154 O25 Si16 -","- C84 H154 O25 Si16 -","- C168 H308 O50 Si32 -","2","1","","Anderson, Stanley E.; Mitchell, Connie; Haddad, Timothy S.; Vij, Ashwani; Schwab, Joseph J.; Bowers, Michael T.","Structural Characterization of POSS Siloxane Dimer and Trimer","Chemistry of Materials","2006","18","6","1490","","10.1021/cm052589c","","","0.71073","MoKα","","0.0459","0.039","","","0.1059","0.1112","","","","","","1.032","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001513","12.2752","0.0013","8.253","0.0008","22.052","0.002","90","","90","","90","","2234","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2-aminoethyl)-4-nitroaniline formic acid (salt)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C72 H104 N24 O32 -","8","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1016","0.0489","","","0.1027","0.1136","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001514","5.608","0.003","11.314","0.005","9.573","0.005","90","","101.784","0.008","90","","594.6","0.5","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(2-aminoethyl)-4-nitroaniline acetic acid (salt)","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C20 H30 N6 O8 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1355","0.0542","","","0.0813","0.0997","","","","","","0.985","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001515","10.3601","0.0008","12.1853","0.0009","10.5378","0.0008","90","","101.082","0.002","90","","1305.5","0.17","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(2-aminoethyl)-4-nitroaniline - propionic acid (salt)","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","2","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.0718","0.0506","","","0.1065","0.1108","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001516","4.8677","0.0005","12.5586","0.0013","11.3875","0.0012","90","","99.521","0.002","90","","686.55","0.12","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(2-aminoethyl)-4-nitroaniline butyric acid (salt)","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C24 H38 N6 O8 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1562","0.0596","","","0.1251","0.1519","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001517","9.0906","","9.0906","","9.0906","","90","","90","","90","","751.238","","","","293","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Pd2.352 Zn10.648 -","- Pd2.351 Zn10.649 -","- Pd9.404 Zn42.596 -","4","0.0833333","","Gourdon, Olivier; Miller, Gordon J.","Intergrowth Compounds in the Zn-Rich Zn−Pd System: Toward 1D Quasicrystal Approximants","Chemistry of Materials","2006","18","7","1848","","10.1021/cm0526415","","","0.71069","MoKα","","0.013","0.013","","","0.0268","0.0268","","","","1.33","1.33","1.33","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001518","12.929","","9.112","","33.32","","90","","90","","90","","3925.4","","","","293","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Pd16.68 Zn52.32 -","- Pd16.68 Zn52.32 -","- Pd66.72 Zn209.28 -","4","","","Gourdon, Olivier; Miller, Gordon J.","Intergrowth Compounds in the Zn-Rich Zn−Pd System: Toward 1D Quasicrystal Approximants","Chemistry of Materials","2006","18","7","1848","","10.1021/cm0526415","","","0.71069","MoKα","","0.0758","0.0288","","","0.0385","0.0442","","","","1.85","1.85","1.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001519","16.3528","0.0019","8.9386","0.001","48.989","0.006","90","","98.216","0.002","90","","7087.3","1.4","293","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H102 P4 Pt2 -","- C69 H102 P4 Pt2 -","- C276 H408 P16 Pt8 -","4","1","","Liu, Li; Wong, Wai-Yeung; Poon, Suk-Yue; Shi, Jian-Xin; Cheah, Kok-Wai; Lin, Zhenyang","Effect of Acetylenic Chain Length on the Tuning of Functional Properties in Fluorene-Bridged Polymetallaynes and Their Molecular Model Compounds","Chemistry of Materials","2006","18","5","1369","","10.1021/cm052655a","","","0.71073","MoKα","","0.1509","0.0708","","","0.1467","0.1817","","","","","","0.954","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001520","12.2213","0.0002","18.1079","0.0002","20.3613","0.0002","90","","102.263","0.003","90","","4403.18","0.11","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis((μ2-diethylphosphato-O,O')-di-t-butyl-aluminium)","","- C40 H56 Al2 O8 P2 -","- C40 H56 Al2 O8 P2 -","- C160 H224 Al8 O32 P8 -","4","1","","Florjańczyk, Zbigniew; Lasota, Anna; Wolak, Andrzej; Zachara, Janusz","Organically Modified Aluminum Phosphates: Synthesis and Characterization of Model Compounds Containing Diphenyl Phosphate Ligands","Chemistry of Materials","2006","18","7","1995","","10.1021/cm0526718","","","0.71073","MoKα","","0.06","0.0454","","","0.1038","0.1092","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4001521","15.1307","0.0003","8.423","0.0002","16.6322","0.0004","90","","100.42","0.001","90","","2084.75","0.08","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N3 O5.5 P Zn -","- C6 H11 N3 O5.5 P Zn -","- C48 H88 N24 O44 P8 Zn8 -","8","1","","Chen, Lan; Bu, Xianhui","Histidine-Controlled Two-Dimensional Assembly of Zinc Phosphite Four-Ring Units","Chemistry of Materials","2006","18","7","1857","","10.1021/cm052801c","","","0.71073","MoKα","","0.0413","0.0317","","","0.081","0.0851","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001522","23.7807","0.0015","23.7807","0.0015","13.4664","0.0012","90","","90","","120","","6595.3","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H17 Ga2 N3 O10 P2 -","- C4 H13 Ga2 N3 O10 P2 -","- C72 H234 Ga36 N54 O180 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0335","0.0272","","","0.0844","0.0874","","","","","","1.015","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001523","23.74","0.0016","23.74","0.0016","13.4851","0.0013","90","","90","","120","","6581.8","0.9","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.1 Co0.1 Ga1.9 N3 O9 P2 -","- C4 H13 Co0.1 Ga1.9 N3 O9 P2 -","- C72 H234 Co1.8 Ga34.2 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0465","0.0324","","","0.1039","0.1081","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001524","23.7422","0.0007","23.7422","0.0007","13.4888","0.0006","90","","90","","120","","6584.8","0.4","295","2","295","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C4 H15.1 Co0.1 Cr0.1 Ga1.8 N3 O9 P2 -","- C4 H13 Co0.1 Cr0.1 Ga1.8 N3 O9 P2 -","- C72 H234 Co1.8 Cr1.8 Ga32.4 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0491","0.0422","","","0.116","0.1194","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001525","23.6965","0.0013","23.6965","0.0013","13.5437","0.001","90","","90","","120","","6586.2","0.7","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.2 Fe0.2 Ga1.8 N3 O9 P2 -","- C4 H12 Fe0.2 Ga1.8 N3 O9 P2 -","- C72 H216 Fe3.6 Ga32.4 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.1072","0.0432","","","0.1119","0.1235","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001526","23.6635","0.0014","23.6635","0.0014","13.5686","0.0011","90","","90","","120","","6580","0.8","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.15 Ga1.85 Mn0.15 N3 O9 P2 -","- C4 H13 Ga1.85 Mn0.15 N3 O9 P2 -","- C72 H234 Ga33.3 Mn2.7 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0703","0.0429","","","0.1207","0.1289","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001527","23.6899","0.0011","23.6899","0.0011","13.5483","0.0009","90","","90","","120","","6584.8","0.6","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.2 Ga1.8 N3 O9 P2 Zn0.2 -","- C4 H13 Ga1.8 N3 O9 P2 Zn0.2 -","- C72 H234 Ga32.4 N54 O162 P36 Zn3.6 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0628","0.0388","","","0.1112","0.118","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001528","23.716","0.003","23.716","0.003","13.447","0.002","90","","90","","120","","6550","1.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15 Cr0.1 Ga1.9 N3 O9 P2 -","- C4 H13 Cr0.1 Ga1.9 N3 O9 P2 -","- C72 H234 Cr1.8 Ga34.2 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0601","0.0397","","","0.1276","0.1356","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001529","12.415","0.011","12.62","0.02","14.55","0.01","86.51","","84.536","0.015","87.16","","2263","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H78 P6 S32 W6 -","- C60 H78 P6 S32 W6 -","- C60 H78 P6 S32 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.916","","","0.0482","0.0481","","","0.135","0.1352","","","","","","1.043","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001530","14.0512","0.001","15.1392","0.001","15.1699","0.001","61.6172","0.0013","84.3734","0.0014","84.1186","0.0016","2819.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H102 P6 S32 W6 -","- C84 H102 P6 S32 W6 -","- C84 H102 P6 S32 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.0528","0.0362","","","0.0773","0.0932","","","","","","1.114","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001531","23.659","0.003","23.659","0.002","16.9604","0.0018","90","0.003","90","0.003","120","0.003","8221.7","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H102 P6 S32 W6 -","- C83.96 H96 P6 S32 W6 -","- C251.88 H288 P18 S96 W18 -","3","0.166667","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.0588","0.0388","","","0.0879","0.0969","","","","","","1.12","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001532","16.8243","0.0013","17.4251","0.0013","18.9027","0.0014","106.185","0.002","101.5","0.002","112.613","0.002","4609.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H66 O10 P6 S56 W6 -","- C124 H66 O10 P6 S56 W6 -","- C124 H66 O10 P6 S56 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.1585","0.0777","","","0.1922","0.2399","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001533","15.8524","0.0003","10.4636","0.0002","15.8729","0.0003","90","","105.021","0.0009","90","","2542.93","0.08","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N5 Na O4 S2 -","- C22 H28 N5 Na O4 S2 -","- C88 H112 N20 Na4 O16 S8 -","4","1","","Lebel, Olivier; Perron, Marie-Ève; Maris, Thierry; Zalzal, Sylvia F.; Nanci, Antonio; Wuest, James D.","A New Class of Selective Low-Molecular-Weight Gelators Based on Salts of Diaminotriazinecarboxylic Acids","Chemistry of Materials","2006","18","16","3616","","10.1021/cm060056d","","","1.54178","CuKα","","0.0636","0.0401","","","0.0996","0.1089","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001534","11.2","0.003","11.38","0.003","14.449","0.004","80.357","0.005","82.319","0.004","61.405","0.004","1591.1","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 O2 P2 -","- C39 H32 O2 P2 -","- C78 H64 O4 P4 -","2","1","","Padmaperuma, Asanga B.; Sapochak, Linda S.; Burrows, Paul E.","New Charge Transporting Host Material for Short Wavelength Organic Electrophosphorescence: 2,7-Bis(diphenylphosphine oxide)-9,9-dimethylfluorene","Chemistry of Materials","2006","18","9","2389","","10.1021/cm0600677","","","0.71073","MoKα","","0.0586","0.0425","","","0.1105","0.1222","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001535","10.9717","","7.5778","","5.4103","","90","","90","","90","","449.82","","150","","293","","","","","","","","","4","P n m 21","P 2bc -2bc","31","","","","- Bi0.597 Ca0.403 Mn O3 -","- Bi0.5965 Ca0.4035 Mn O3 -","- Bi4.772 Ca3.228 Mn8 O24 -","8","2","","Giot, M.; Beran, P.; Pérez, O.; Malo, S.; Hervieu, M.; Raveau, B.; Nevriva, M.; Knizek, K.; Roussel, P.","Bi1-xCaxMnO3(x= 0.4 and 0.45): X-ray Single-Crystal and Electron Microscopy Study","Chemistry of Materials","2006","18","14","3225","","10.1021/cm060222h","","","0.71069","MoKα","","0.098","0.0684","","","0.0746","0.0922","","","","4.8","4.8","4.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001536","21.408","0.0005","4.8379","0.0001","17.0953","0.0004","90","","110.196","0.001","90","","1661.7","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 S2 -","- C34 H54 S2 -","- C68 H108 S4 -","2","0.5","","Pan, Hualong; Li, Yuning; Wu, Yiliang; Liu, Ping; Ong, Beng S.; Zhu, Shiping; Xu, Gu","Synthesis and Thin-Film Transistor Performance of Poly(4,8-didodecylbenzo[1,2-b:4,5-b‘]dithiophene)","Chemistry of Materials","2006","18","14","3237","","10.1021/cm0602592","","","1.54178","CuKα","","0.0748","0.062","","","0.2028","0.2188","","","","","","1.056","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001537","10.219","0.0004","13.9566","0.0015","17.26","0.002","90","","90.193","0.005","90","","2461.7","0.4","293","","293","","","","","","","","synthesised by authors","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 Ga6 H5.1 O27.55 P6 -","- Cs2 Ga6 H2 O27.549 P6 -","- Cs8 Ga24 H8 O110.196 P24 -","4","1","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0911","0.0419","","","0.0396","0.0443","","","","1.33","1.33","1.17","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001538","10.1662","0.0004","13.9762","0.0012","16.931","0.002","90","","90","","90","","2405.6","0.4","293","","293","","","","","","","","synthesised by authors","5","P c a b","-P 2bc 2ac","61","","","","- Cs2 Ga6 H2 O26 P6 -","- Cs2 Ga6 H2 O26 P6 -","- Cs8 Ga24 H8 O104 P24 -","4","0.5","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0555","0.0272","","","0.0274","0.0312","","","","1.28","1.28","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001539","12.4604","0.0014","14.1435","0.0016","17.475","0.002","99.357","0.002","99.182","0.002","114.271","0.002","2680.9","0.5","173","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 F10 Si -","- C30 H16 F10 Si -","- C120 H64 F40 Si4 -","4","2","","Geramita, Katharine; McBee, Jennifer; Shen, Yulong; Radu, Nora; Tilley, T. Don","Synthesis and Characterization of Perfluoroaryl-Substituted Siloles and Thiophenes: A Series of Electron-Deficient Blue Light Emitting Materials","Chemistry of Materials","2006","18","14","3261","","10.1021/cm060346u","","","0.71073","MoKα","","0.0612","0.0364","","","0.081","0.0863","","","","","","0.852","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001540","7.513","0.003","7.585","0.003","28.128","0.01","92.498","0.005","92.18","0.006","116.885","0.005","1425.3","1","173","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H8 F18 S -","- C34 H8 F18 S -","- C68 H16 F36 S2 -","2","1","","Geramita, Katharine; McBee, Jennifer; Shen, Yulong; Radu, Nora; Tilley, T. Don","Synthesis and Characterization of Perfluoroaryl-Substituted Siloles and Thiophenes: A Series of Electron-Deficient Blue Light Emitting Materials","Chemistry of Materials","2006","18","14","3261","","10.1021/cm060346u","","","0.71073","MoKα","","0.1448","0.0845","","","0.2048","0.2191","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001541","8.654","0.0004","20.971","0.0009","8.85","0.0004","90","","110.397","0.002","90","","1505.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Murata, Hidenori; Delen, Zeynep; Lahti, Paul M.","Strong Ferromagnetic Exchange in 2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5- tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","Chemistry of Materials","2006","18","11","2625","","10.1021/cm060378h","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001542","11.692","0.004","18.023","0.007","11.772","0.005","90","","90.71","0.02","90","","2480.5","1.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C24 H56 Cu4 O8 P4 Se8 -","- C24 H56 Cu4 O8 P4 Se8 -","- C48 H112 Cu8 O16 P8 Se16 -","2","1","","Hsu, Yung-Jung; Hung, Chiu-Ming; Lin, Yi-Feng; Liaw, Ben-Jie; Lobana, Tarlok S.; Lu, Shih-Yuan; Liu, C. W.","[Cu4{Se2P(OiPr)2}4]: A Novel Precursor Enabling Preparation of Nonstoichiometric Copper Selenide (Cu2-xSe) Nanowires","Chemistry of Materials","2006","18","14","3323","","10.1021/cm060478n","","","0.71073","MoKα","","0.0859","0.0712","","","0.1462","0.1534","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001543","6.2089","0.0007","8.9509","0.0011","23.295","0.003","90","","90","","90","","1294.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0496","0.048","","","0.1393","0.1412","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001544","5.5431","0.0011","7.4791","0.0014","16.19","0.003","82.779","0.003","88.9","0.004","71.49","0.003","631.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl N O2 -","- C13 H18 Cl N O2 -","- C26 H36 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0555","0.0529","","","0.1522","0.163","","","","","","1.121","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001545","5.541","0.0013","7.4502","0.0018","17.662","0.004","90.182","0.005","92.714","0.004","108.56","0.004","690.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cl N O2 -","- C14 H20 Cl N O2 -","- C28 H40 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0487","0.0418","","","0.1115","0.1278","","","","","","1.086","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001546","5.5021","0.0008","7.4745","0.0011","19.108","0.003","92.671","0.003","90.828","0.003","107.964","0.002","746.36","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Cl N O2 -","- C15 H22 Cl N O2 -","- C30 H44 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.1028","0.074","","","0.223","0.2883","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001547","5.5328","0.0007","7.5138","0.0009","19.059","0.002","92.937","0.002","90.228","0.002","108.446","0.002","750.46","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C32 H50 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0513","0.0414","","","0.1011","0.1073","","","","","","1.023","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001548","14.342","0.002","5.776","0.0008","51.085","0.007","90","","90","","90","","4231.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Br N O2 -","- C20 H32 Br N O2 -","- C160 H256 Br8 N8 O16 -","8","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0881","0.0664","","","0.1693","0.1827","","","","","","1.168","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001549","26.525","0.004","14.2644","0.0019","5.7997","0.0008","90","","93.063","0.002","90","","2191.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Br N O2 -","- C21 H34 Br N O2 -","- C84 H136 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0669","0.0422","","","0.1056","0.1187","","","","","","1.006","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001550","28.972","0.004","14.2687","0.0017","5.78","0.0007","90","","95.027","0.002","90","","2380.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 Br N O2 -","- C23 H38 Br N O2 -","- C92 H152 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0925","0.0474","","","0.1015","0.1167","","","","","","0.988","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001551","5.5628","0.0004","7.5055","0.0005","16.4604","0.0011","82.449","0.001","88.785","0.001","71.481","0.001","645.86","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C26 H36 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0237","0.0235","","","0.0637","0.0639","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001552","5.5611","0.001","7.4809","0.0013","17.889","0.003","88.908","0.003","87.831","0.003","71.593","0.003","705.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Br N O2 -","- C14 H20 Br N O2 -","- C28 H40 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0323","0.029","","","0.072","0.0761","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001553","5.5215","0.0005","7.5087","0.0006","19.083","0.0016","93.13","0.001","90.752","0.002","108.131","0.001","750.38","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C30 H44 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0265","0.0259","","","0.0747","0.0751","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001554","5.5753","0.0011","7.7318","0.0015","20.485","0.004","87.193","0.003","88.939","0.003","72.223","0.003","839.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br N O2 -","- C16 H24 Br N O2 -","- C32 H48 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0668","0.0448","","","0.1139","0.1239","","","","","","0.974","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001555","24.134","0.007","14.298","0.004","5.8109","0.0017","90","","91.786","0.005","90","","2004.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C76 H120 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.076","0.0438","","","0.1025","0.1183","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001556","5.5484","0.0005","7.4632","0.0007","16.9022","0.0016","90.896","0.002","99.105","0.002","107.802","0.002","656.46","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C26 H36 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0426","0.042","","","0.1136","0.114","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001557","5.5108","0.0008","7.5698","0.0011","19.051","0.003","82.296","0.003","82.827","0.002","72.395","0.002","747.67","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C30 H44 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0316","0.0304","","","0.0847","0.0889","","","","","","1.134","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001558","12.7129","0.0012","19.784","0.003","22.611","0.002","103.268","0.006","97.491","0.004","102.145","0.01","5315","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48.5 H46.5 Cl1.5 F9 La N2 O10 S3 -","- C48.5 H46.5 Cl1.5 F9 La N2 O10 S3 -","- C194 H186 Cl6 F36 La4 N8 O40 S12 -","4","2","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.1071","0.0752","","","0.172","0.19","","","","","","0.937","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001559","15.1196","0.0011","18.5236","0.001","20.6386","0.0012","70.89","0.003","80.255","0.004","66.575","0.004","5006.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 F9 La N2 O10 -","- C46 H46 F9 La N2 O10 -","- C184 H184 F36 La4 N8 O40 -","4","2","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.0911","0.0627","","","0.1504","0.1684","","","","","","0.923","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001560","12.354","0.003","12.972","0.004","19.357","0.004","101.524","0.016","93.225","0.015","108.121","0.016","2865.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H53 Cl3 F9 N2 Nd O10 -","- C55 H53 Cl3 F9 N2 Nd O10 -","- C110 H106 Cl6 F18 N4 Nd2 O20 -","2","1","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.0932","0.0673","","","0.1601","0.1747","","","","","","0.966","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001561","7.4632","0.0015","11.523","0.002","13.944","0.003","90","","94.06","0.03","90","","1196.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","terbium dicyanamide dihydrate","terbium dicyanamide dihydrate","","- C6 H4 N9 O2 Tb -","- C6 H4 N9 O2 Tb -","- C24 H16 N36 O8 Tb4 -","4","1","","Nag, Abanti; Schmidt, Peter J.; Schnick, Wolfgang","Synthesis and Characterization of Tb[N(CN)2]3·2H2O and Eu[N(CN)2]3·2H2O: Two New Luminescent Rare-Earth Dicyanamides","Chemistry of Materials","2006","18","24","5738","","10.1021/cm0607029","","","0.71073","MoKα","","0.0334","0.0193","","","0.0376","0.0419","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001562","7.478","0.0004","11.5429","0.0005","13.9756","0.0007","90","","93.998","0.004","90","","1203.41","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Europium Dicyanamide Dihydrate","Europium Dicyanamide Dihydrate","","- C6 H4 Eu N9 O2 -","- C6 H4 Eu N9 O2 -","- C24 H16 Eu4 N36 O8 -","4","1","","Nag, Abanti; Schmidt, Peter J.; Schnick, Wolfgang","Synthesis and Characterization of Tb[N(CN)2]3·2H2O and Eu[N(CN)2]3·2H2O: Two New Luminescent Rare-Earth Dicyanamides","Chemistry of Materials","2006","18","24","5738","","10.1021/cm0607029","powder diffraction","x-ray","0.7093","MoKα1","","","","","","","","0.08029","","1.13","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001563","6.1661","0.0003","27.6363","0.0012","8.4503","0.0004","90","","95.712","0.001","90","","1432.85","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Br4 N3 Pb -","- C6 H13 Br4 N3 Pb -","- C24 H52 Br16 N12 Pb4 -","4","1","","Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J.","Novel ⟨ 110⟩ -Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties","Chemistry of Materials","2006","18","15","3463","","10.1021/cm060714u","","","0.71073","MoKα","","0.0688","0.0667","","","0.1882","0.1909","","","","","","1.039","","","","has coordinates","271475","2021-12-16","11:44:06",""
"4001564","20.0844","0.0019","7.9836","0.0008","13.0105","0.0012","90","","90","","90","","2086.2","0.3","466","2","466","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H13 Br2 N3 -","- C6 H13 Br2 N3 -","- C48 H104 Br16 N24 -","8","2","","Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J.","Novel 〈110〉-Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties","Chemistry of Materials","2006","18","15","3463","","10.1021/cm060714u","","","0.71073","MoKα","","0.0399","0.0323","","","0.0724","0.074","","","","","","0.933","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001565","6.7435","0.0003","6.7555","0.0004","6.7608","0.0004","91.221","0.004","94.288","0.004","94.443","0.005","306.09","0.03","300","","300","","","","","","","","","3","P -1","-P 1","2","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg Mo6 Se8 -","- Mg Mo6 Se8 -","- Mg Mo6 Se8 -","1","0.5","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Isnard, O.; Djurado, D.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 2. The Crystal Structure of Triclinic MgMo6Se8","Chemistry of Materials","2006","18","16","3705","","10.1021/cm060715m","powder diffraction","neutron","1.9106","neutron","","","","","","","","","5.6199","0.8567","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001566","8.9807","0.0004","18.1461","0.0009","11.2254","0.0005","90","","101.851","0.001","90","","1790.35","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1038 cs Ph2-Bor-Br2Oxinat","","","- C21 H14 B Br2 N O -","- C21 H14 B Br2 N O -","- C84 H56 B4 Br8 N4 O4 -","4","1","","Kappaun, Stefan; Rentenberger, Stephan; Pogantsch, Alexander; Zojer, Egbert; Mereiter, Kurt; Trimmel, Gregor; Saf, Robert; Möller, Kai C.; Stelzer, Franz; Slugovc, Christian","Organoboron Quinolinolates with Extended Conjugated Chromophores: Synthesis, Structure, and Electronic and Electroluminescent Properties","Chemistry of Materials","2006","18","15","3539","","10.1021/cm060720q","","","0.71073","MoKα","","0.0371","0.0251","","","0.0588","0.0642","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001567","13.898","0.003","16.381","0.003","9.835","0.002","90","","110.45","0.03","90","","2098","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs10 Fe14 K8 O80 P20 -","- Cs9.296 Fe14 K8.704 O80 P20 -","- Cs9.296 Fe14 K8.704 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0538","0.0518","","","0.1368","0.1382","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001568","13.899","0.003","16.397","0.003","9.83","0.002","90","","110.4","0.03","90","","2099.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.9 Fe14 K0 Li6.1 O80 P20 -","- Cs11.894 Fe14 Li6.106 O80 P20 -","- Cs11.894 Fe14 Li6.106 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0802","0.064","","","0.1201","0.1263","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001569","13.744","0.003","16.502","0.003","9.807","0.002","90","","109.97","0.03","90","","2090.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs0.75 Fe1.08 K0 Na0.64 O6.15 P1.54 -","- Cs0.748154 Fe1.07692 Na0.636462 O6.15385 P1.53846 -","- Cs9.726 Fe14 Na8.274 O80 P20 -","13","3.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1331","0.1156","","","0.2121","0.22","","","","","","1.216","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001570","13.762","0.003","16.508","0.003","9.84","0.002","90","","110.29","0.03","90","","2096.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.26 Fe14 K6.74 O80 P20 -","- Cs11.256 Fe14 K6.744 O80 P20 -","- Cs11.256 Fe14 K6.744 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1163","0.0911","","","0.1407","0.1496","","","","","","1.234","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001571","13.901","0.003","16.392","0.003","9.827","0.002","90","","110.49","0.03","90","","2097.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs8.5 Fe14 K5.71 O80 P20 Rb3.79 -","- Cs8.508 Fe14 K5.712 O80 P20 Rb3.78 -","- Cs8.508 Fe14 K5.712 O80 P20 Rb3.78 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0982","0.0702","","","0.1115","0.1199","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001572","13.795","0.003","16.463","0.003","9.848","0.002","90","","110.1","0.03","90","","2100.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.35 Fe14 K6.65 O80 P20 -","- Cs11.348 Fe14 K6.652 O80 P20 -","- Cs11.348 Fe14 K6.652 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1025","0.0778","","","0.1142","0.1224","","","","","","1.194","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001573","11.9343","0.0007","21.222","0.0013","11.9882","0.0007","90","","117.077","0.001","90","","2703.5","0.3","571","2","571","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Cu13.43 Te12 -","- Ba3 Cu13.429 Te12 -","- Ba12 Cu53.716 Te48 -","4","1","","Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger","Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12","Chemistry of Materials","2006","18","16","3866","","10.1021/cm060776k","","","0.71073","MoKα","","0.0596","0.0506","","","0.1111","0.114","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001574","11.9091","0.0018","21.174","0.004","11.9826","0.0018","90","","117.071","0.004","90","","2690.5","0.8","180","2","180","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Cu13.65 Te12 -","- Ba3 Cu13.6475 Te12 -","- Ba12 Cu54.59 Te48 -","4","1","","Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger","Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12","Chemistry of Materials","2006","18","16","3866","","10.1021/cm060776k","","","0.71073","MoKα","","0.0591","0.0451","","","0.0877","0.0919","","","","","","1.131","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001575","5.7668","0.0016","7.551","0.002","12.884","0.004","85.131","0.007","88.367","0.007","89.927","0.008","558.8","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H6 S4 -","- C12 H6 S4 -","- C24 H12 S8 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.775","MoKα","","0.0972","0.081","","","0.2328","0.2434","","","","","","1.125","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001576","7.4265","0.0011","5.7172","0.0008","14.84","0.002","90","","102.336","0.002","90","","615.54","0.15","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H8 S4 -","- C13.58 H7.58 S3.58 -","- C27.16 H15.16 S7.16 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0937","0.0577","","","0.1468","0.17","","","","","","0.93","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001577","23.66","0.005","5.9832","0.0012","15.709","0.003","90","","90","","90","","2223.8","0.8","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 S4 -","- C12 H6 S4 -","- C96 H48 S32 -","8","2","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0596","0.0341","","","0.0755","0.0839","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001578","5.7083","0.0015","8.616","0.002","13.272","0.004","88.226","0.006","77.637","0.006","82.068","0.006","631.5","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S4 -","- C14 H8 S4 -","- C28 H16 S8 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0773","0.0567","","","0.1436","0.1541","","","","","","1.025","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001579","6.1731","0.0005","6.1731","0.0005","6.1731","0.0005","90","","90","","90","","235.24","0.03","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag1.33 Sb1.33 Sn1.33 Te4 -","- Ag1.32 Sb1.32 Sn1.33 Te4 -","- Ag1.32 Sb1.32 Sn1.33 Te4 -","1","0.0208333","","Androulakis, John; Pcionek, Robert; Quarez, Eric; Do, Jun-Huang; Kong, Huijun; Palchik, Oleg; Uher, C.; D'Angelo, Jonathan James; Short, Jarrod; Hogan, Tim; Kanatzidis, Mercouri G.","Coexistence of Large Thermopower and Degenerate Doping in the Nanostructured Material Ag0.85SnSb1.15Te3","Chemistry of Materials","2006","18","20","4719","","10.1021/cm061151p","","","0.71073","MoKα","","0.0273","0.0135","","","0.0277","0.0382","","","","","","0.896","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001580","4.365","0.0005","4.365","0.0005","6.1731","0.0005","90","","90","","90","","117.62","0.02","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.67 Sb0.67 Sn0.67 Te2 -","- Ag0.66 Sb0.67 Sn0.67 Te2 -","- Ag0.66 Sb0.67 Sn0.67 Te2 -","1","0.0625","","Androulakis, John; Pcionek, Robert; Quarez, Eric; Do, Jun-Huang; Kong, Huijun; Palchik, Oleg; Uher, C.; D'Angelo, Jonathan James; Short, Jarrod; Hogan, Tim; Kanatzidis, Mercouri G.","Coexistence of Large Thermopower and Degenerate Doping in the Nanostructured Material Ag0.85SnSb1.15Te3","Chemistry of Materials","2006","18","20","4719","","10.1021/cm061151p","","","0.71073","MoKα","","0.0209","0.0136","","","0.0303","0.037","","","","","","0.883","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001581","29.272","0.0019","11.7396","0.0007","11.2259","0.0007","90","","110.548","0.003","90","","3612.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","beta-phase BPBN","biphenyl-3,5-diyl bis(tert-butyl nitroxide)","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C160 H208 N16 O16 -","8","1","","Nishimaki, Hirokazu; Mashiyama, Shinichiro; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki","Bistable Polymorphs Showing Diamagnetic and Paramagnetic States of an Organic Crystalline Biradical Biphenyl-3,5-diyl Bis(tert-butylnitroxide)","Chemistry of Materials","2006","18","16","3602","","10.1021/cm061222k","","","0.71073","MoKα","","0.0438","0.0358","","","0.098","0.1001","","","","","","1.054","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001582","9.2145","0.0002","9.2145","0.0002","6.1938","0.0002","90","","90","","120","","455.44","0.02","293","2","293","2","","","","","","","synthesis as described","3","P 63/m c m","-P 6c 2","193","","","","- Sb5 Sc U3 -","- Sb5 Sc U3 -","- Sb10 Sc2 U6 -","2","0.0833333","","Mar, Arthur; Tougait, Olivier; Potel, Michel; Noël, Henri; Lopes, Elsa B.","Anisotropic Transport and Magnetic Properties of Ternary Uranium Antimonides U3ScSb5and U3TiSb5","Chemistry of Materials","2006","18","18","4533","","10.1021/cm061281y","","x-ray","0.71069","MoKα","","0.0329","0.0288","","","0.0677","0.0704","","","","","","1.07","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001583","7.912","0.0011","9.215","0.0015","14.86","0.002","86.59","0.006","78.66","0.01","86.46","0.011","1059","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0904","0.0666","","","0.1221","0.1326","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001584","7.9371","0.0011","9.2656","0.0015","14.922","0.002","86.736","0.006","78.692","0.01","86.227","0.011","1072.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0942","0.0595","","","0.1005","0.1245","","","","","","1.001","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001585","7.986","0.0012","9.341","0.0017","14.956","0.003","87","0.006","79.037","0.012","85.846","0.011","1091.6","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0974","0.0614","","","0.1054","0.1321","","","","","","1.004","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001586","7.9487","0.0005","9.8685","0.0009","14.6035","0.0013","91.109","0.003","98.639","0.005","95.885","0.005","1125.85","0.16","350","2","350","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0901","0.07","","","0.1318","0.1392","","","","","","1.004","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001587","7.9769","0.0008","9.8759","0.0012","14.674","0.0018","91.1","0.004","98.773","0.007","95.976","0.007","1135.5","0.2","400","2","400","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.1167","0.0637","","","0.1277","0.1443","","","","","","1.004","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001588","7.8118","0.0005","10.217","0.0006","14.3138","0.0009","90.998","0.005","95.67","0.005","97.677","0.005","1126.11","0.12","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Br Fe N7 S2 -","- C19 H22 Br Fe N7 S2 -","- C38 H44 Br2 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0426","0.0363","","","0.095","0.0985","","","","","","0.953","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001589","7.028","0.0014","11.757","0.002","13.503","0.003","90","","90","","90","","1115.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H6 Na3 O12 Si3 Tb -","- H6 Na3 O12 Si3 Tb -","- H24 Na12 O48 Si12 Tb4 -","4","1","","Wang, Guangmei; Li, Jiyang; Yu, Jihong; Chen, Peng; Pan, Qinhe; Song, Hongwei; Xu, Ruren","Na3TbSi3O9·3H2O: A New Luminescent Microporous Terbium(III) Silicate Containing HelicalSechserSilicate Chains and 9-Ring Channels","Chemistry of Materials","2006","18","24","5637","","10.1021/cm061578w","","","0.71073","MoKα","","0.0172","0.0168","","","0.0419","0.042","","","","","","1.189","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001590","9.074","0.003","9.23","0.003","9.309","0.003","76.446","0.005","87.343","0.005","89.388","0.005","757.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 Al3 F N2 O12 P3 -","- C5 H9 Al3 F N2 O12 P3 -","- C10 H18 Al6 F2 N4 O24 P6 -","2","1","","Parnham, Emily R.; Morris, Russell E.","1-Alkyl-3-methyl Imidazolium Bromide Ionic Liquids in the Ionothermal Synthesis of Aluminium Phosphate Molecular Sieves","Chemistry of Materials","2006","18","20","4882","","10.1021/cm0615929","","","0.6933","synchrotron","","0.0555","0.0403","","","0.1117","0.1203","","","","","","1.041","","","","has coordinates","189835","2020-10-21","18:00:00",""
"4001591","11.2403","0.0003","11.9611","0.0004","15.8334","0.0007","93.619","0.001","93.373","0.002","117.863","0.002","1868.76","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F6 N2 P S -","- C18 H19 F6 N2 P S -","- C72 H76 F24 N8 P4 S4 -","4","2","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0801","0.0523","","","0.1265","0.1426","","","","","","1.022","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001592","11.1697","0.0002","11.6675","0.0003","13.0687","0.0003","91.495","0.001","104.711","0.001","99.428","0.001","1620.97","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 B N2 S -","- C42 H39 B N2 S -","- C84 H78 B2 N4 S2 -","2","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0586","0.0467","","","0.1194","0.1276","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001593","13.2042","0.0006","11.2894","0.0005","15.976","0.0008","90","","94.29","0.002","90","","2374.83","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N2 O4.5 S2 -","- C25 H29 N2 O4.5 S2 -","- C100 H116 N8 O18 S8 -","4","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0876","0.0555","","","0.1091","0.1208","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001594","7.63","0.012","10.007","0.015","16.8","0.02","104.12","0.13","91.96","0.11","108.19","0.09","1173","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O3 S2 -","- C27 H28 N2 O3 S2 -","- C54 H56 N4 O6 S4 -","2","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.2783","0.1514","","","0.2528","0.3016","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001595","5.810528","0.000007","5.810528","","23.88459","0.00005","90","","90","","120","","698.36","0.0017","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ba5 Mg0.125 O15 Ta3.95 -","- Ba4.99999 Mg0.125 O15 Ta3.95 -","- Ba9.99998 Mg0.25 O30 Ta7.9 -","2","0.166667","","Mallinson, P.; Claridge, J. B.; Iddles, D.; Price, T.; Ibberson, R. M.; Allix, M.; Rosseinsky, M. J.","New 10-Layer Hexagonal Perovskites: Relationship between Cation and Vacancy Ordering and Microwave Dielectric Loss","Chemistry of Materials","2006","18","26","6227","","10.1021/cm0616477","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001596","9.4592714","0.0000006","9.4592714","0.0000006","10.5588446","0.0000005","90","","90","","120","","818.206","0.00008","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg Mo6 S8 -","- Mg0.99996 Mo6 S8 -","- Mg2.99988 Mo18 S24 -","3","","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides","Chemistry of Materials","2006","18","23","5492","","10.1021/cm061656f","powder diffraction","neutron","1.9106","neutron","","","","","","","","","5.6199","1.59","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001597","9.7630596","0.000001","9.7630596","0.000001","10.3689375","0.000001","90","","90","","120","","855.927","0.00015","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg2 Mo6 S8 -","- Mg1.99992 Mo6 S8 -","- Mg5.99976 Mo18 S24 -","3","","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides","Chemistry of Materials","2006","18","23","5492","","10.1021/cm061656f","powder diffraction","neutron","1.9106","neutron","","","","","","","","","6.6854","0.6703","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001598","10.69557","0.00022","11.32418","0.00022","8.49009","0.00015","90","","122.384","0.0011","90","","868.38","0.03","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Ca Mn3 O6 -","- Ca Mn3 O6 -","- Ca8 Mn24 O48 -","8","2","","Hadermann, Joke; Abakumov, Artem M.; Gillie, Lisa J.; Martin, Christine; Hervieu, Maryvonne","Coupled Cation and Charge Ordering in the CaMn3O6Tunnel Structure","Chemistry of Materials","2006","18","23","5530","","10.1021/cm0618998","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001599","15.547","0.0009","22.3388","0.0013","15.6068","0.0009","90","","90.668","0.001","90","","5419.9","0.5","125","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","p-hexanoylcalixarene-EHMC","","","- C61 H76 O9.5 -","- C61 H76 O9.5 -","- C244 H304 O38 -","4","1","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Daroszewska, Malgosia; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","Solid Lipid Nanoparticles ofp-Hexanoyl Calix[4]arene as a Controlling Agent in the Photochemistry of a Sunscreen Blocker","Chemistry of Materials","2006","18","25","5817","","10.1021/cm061993o","","","0.7107","MoKα","","0.1451","0.0944","","","0.2717","0.3268","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001600","15.399","0.002","9.5815","0.0015","32.617","0.005","90","","103.14","0.015","90","","4686.5","1.2","108","2","108","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H38 Cl N5 W -","- C17 H38 Cl N5 W -","- C136 H304 Cl8 N40 W8 -","8","1","","Rische, Daniel; Parala, Harish; Gemel, Eliza; Winter, Manuela; Fischer, Roland A.","New Tungsten(VI) Guanidinato Complexes: Synthesis, Characterization, and Application in Metal−Organic Chemical Vapor Deposition of Tungsten Nitride Thin Films","Chemistry of Materials","2006","18","25","6075","","10.1021/cm061999d","","","0.71073","MoKα","","0.1456","0.0528","","","0.0685","0.0863","","","","","","0.848","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001601","8.8327","0.0006","19.0411","0.0013","15.2788","0.001","90","","101.43","0.006","90","","2518.7","0.3","105","2","108","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H41 Cl2 N5 W -","- C18 H41 Cl2 N5 W -","- C72 H164 Cl8 N20 W4 -","4","1","","Rische, Daniel; Parala, Harish; Gemel, Eliza; Winter, Manuela; Fischer, Roland A.","New Tungsten(VI) Guanidinato Complexes: Synthesis, Characterization, and Application in Metal−Organic Chemical Vapor Deposition of Tungsten Nitride Thin Films","Chemistry of Materials","2006","18","25","6075","","10.1021/cm061999d","","","0.71073","MoKα","","0.0301","0.0263","","","0.0411","0.0415","","","","","","1.954","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001603","10.3704","0.0012","11.6816","0.0013","15.3131","0.0019","90","","90","","90","","1855.1","0.4","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H28 B F4 Li O6 -","- C12 H28 B F4 Li O6 -","- C48 H112 B4 F16 Li4 O24 -","4","0.5","","Andreev, Yuri G.; Seneviratne, Varuni; Khan, Masood; Henderson, Wesley A.; Frech, Roger E.; Bruce, Peter G.","Crystal Structures of Poly(Ethylene Oxide)3:LiBF4and (Diglyme)n:LiBF4(n= 1,2)","Chemistry of Materials","2005","17","4","767","","10.1021/cm048310u","","","0.71073","MoKα","","0.1005","0.0579","","","0.1407","0.1686","","","","","","1.027","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001605","6.5483","0.0008","8.3548","0.001","10.42","0.0013","90","","105.04","0.003","90","","550.55","0.12","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 K2 O12 U2 -","- Cr2 K2 O12 U2 -","- Cr4 K4 O24 U4 -","2","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0199","","","","0.0426","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001606","6.8677","0.0006","8.3599","0.0007","10.4625","0.0008","90","","106.004","0.002","90","","577.41","0.08","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 O12 Rb2 U2 -","- Cr2 O12 Rb2 U2 -","- Cr4 O24 Rb4 U4 -","2","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0296","","","","0.0564","","","","","","0.842","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001607","7.2643","0.0015","8.3803","0.0017","10.51","0.002","90","","106.399","0.005","90","","613.8","0.2","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr2 Cs2 O12 U2 -","- Cr2 Cs2 O12 U2 -","- Cr4 Cs4 O24 U4 -","2","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0569","","","","0.1102","","","","","","0.746","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001608","10.5825","0.0019","15.134","0.003","8.1425","0.0014","90","","90","","90","","1304.1","0.4","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cr2 H8 Mg O16 U2 -","- Cr2 Mg O16 U2 -","- Cr8 Mg4 O64 U8 -","4","0.5","","Locock, A. J.; Skanthakumar, S.; Burns, P. C.; Soderholm, L.","Syntheses, Structures, Magnetic Properties, and X-ray Absorption Spectra of Carnotite-type Uranyl Chromium(V) Oxides: A[(UO2)2Cr2O8](H2O)n(A = K2, Rb2, Cs2, Mg;n= 0, 4)","Chemistry of Materials","2004","16","7","1384","","10.1021/cm030639c","","","0.71073","MoKα","","","0.0511","","","","0.1334","","","","","","0.773","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001609","7.2902","0.0015","8.3757","0.0017","61.789","0.013","88.085","0.003","89.908","0.003","71.268","0.003","3570.9","1.3","153","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H45 Cl N2 O -","- C22 H43 Cl N2 O -","- C132 H258 Cl6 N12 O6 -","6","3","","Downard, A.; Earle, M. J.; Hardacre, C.; McMath, S. E. J.; Nieuwenhuyzen, M.; Teat, S. J.","Structural Studies of Crystalline 1-Alkyl-3-Methylimidazolium Chloride Salts","Chemistry of Materials","2004","16","1","43","","10.1021/cm034344a","","","0.6867","Synchrotron","","0.08","0.0612","","","0.1611","0.1745","","","","","","1.033","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001610","6.81","0.003","9.037","0.004","25.214","0.011","92.057","0.008","94.654","0.008","108.591","0.007","1462.8","1.1","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Cl4 N2 O -","- C24 H46 Cl4 N2 O -","- C48 H92 Cl8 N4 O2 -","2","1","","Downard, A.; Earle, M. J.; Hardacre, C.; McMath, S. E. J.; Nieuwenhuyzen, M.; Teat, S. J.","Structural Studies of Crystalline 1-Alkyl-3-Methylimidazolium Chloride Salts","Chemistry of Materials","2004","16","1","43","","10.1021/cm034344a","","","0.71073","MoKα","","0.2118","0.1046","","","0.2595","0.3228","","","","","","0.93","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001611","6.8297","0.0004","16.6725","0.0009","14.2487","0.0008","90","","90","","90","","1622.47","0.16","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ce2 I6 O19 -","- Ce2 I6 O19 -","- Ce8 I24 O76 -","4","0.5","","Sykora, Richard E.; Deakin, Laura; Mar, Arthur; Skanthakumar, S.; Soderholm, L.; Albrecht-Schmitt, Thomas E.","Isolation of Intermediate-Valent Ce(III)/Ce(IV) Hydrolysis Products in the Preparation of Cerium Iodates: Electronic and Structural Aspects of Ce2(IO3)6(OHx) (x≈ 0 and 0.44)","Chemistry of Materials","2004","16","7","1343","","10.1021/cm035147e","","","0.71073","MoKα","","0.0174","0.016","","","0.0375","0.038","","","","","","1.18","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001612","6.8534","0.0004","16.9885","0.001","14.2404","0.0008","90","","90","","90","","1658","0.17","193","2","193","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ce2 H0.5 I6 O19 -","- Ce2 I6 O19 -","- Ce8 I24 O76 -","4","0.5","","Sykora, Richard E.; Deakin, Laura; Mar, Arthur; Skanthakumar, S.; Soderholm, L.; Albrecht-Schmitt, Thomas E.","Isolation of Intermediate-Valent Ce(III)/Ce(IV) Hydrolysis Products in the Preparation of Cerium Iodates: Electronic and Structural Aspects of Ce2(IO3)6(OHx) (x≈ 0 and 0.44)","Chemistry of Materials","2004","16","7","1343","","10.1021/cm035147e","","","0.71073","MoKα","","0.0303","0.0302","","","0.0646","0.0646","","","","","","1.563","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001613","12.2473","0.0005","25.914","","25.9141","0.0009","90","","90","","90","","8224.5","0.4","173","2","173","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H28 Cu4 O24 -","- C37 H20 Cu4 O24 -","- C148 H80 Cu16 O96 -","4","0.5","","Zhuang, Wenjuan; Yuan, Daqiang; Liu, Dahuan; Zhong, Chongli; Li, Jian-Rong; Zhou, Hong-Cai","Robust Metal‒Organic Framework with An Octatopic Ligand for Gas Adsorption and Separation: Combined Characterization by Experiments and Molecular Simulation","Chemistry of Materials","2012","24","1","18","","10.1021/cm2008889","","","0.71073","MoKα","","0.1198","0.0508","","","0.0964","0.1066","","","","","","0.735","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001614","17.65","0.0014","7.9259","0.0007","21.0834","0.0018","90","","105.958","0.008","90","","2835.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C156 H108 N12 -","4","1","","Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Lo, Ming-Fai; Ng, Tsz-Wai; Chan, Mei-Yee; Wen, Zhi-Chun; He, Jun; Jeff, Kc-Sham; Tang, Xiang-Lin; Liu, Wei-Min; Ko, Chi-Chiu; Wang, Peng-Fei; Lee, Chun-Sing","High Efficiency Nondoped Deep-Blue Organic Light Emitting Devices Based on Imidazole-π-triphenylamine Derivatives","Chemistry of Materials","2012","24","1","61","","10.1021/cm201789u","","","0.71073","MoKα","","0.1025","0.0521","","","0.1309","0.1748","","","","","","0.883","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001615","9.2677","0.0004","10.9653","0.0004","19.0829","0.0007","82.027","0.003","76.142","0.003","81.632","0.003","1851.85","0.13","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H39 N3 -","- C49 H39 N3 -","- C98 H78 N6 -","2","1","","Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Lo, Ming-Fai; Ng, Tsz-Wai; Chan, Mei-Yee; Wen, Zhi-Chun; He, Jun; Jeff, Kc-Sham; Tang, Xiang-Lin; Liu, Wei-Min; Ko, Chi-Chiu; Wang, Peng-Fei; Lee, Chun-Sing","High Efficiency Nondoped Deep-Blue Organic Light Emitting Devices Based on Imidazole-π-triphenylamine Derivatives","Chemistry of Materials","2012","24","1","61","","10.1021/cm201789u","","","0.71073","MoKα","","0.0816","0.0564","","","0.1607","0.1825","","","","","","1.136","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001616","13.166","0.004","7.605","0.002","9.496","0.003","90","","90","","90","","950.8","0.5","298","2","298","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ga9 Pd3 Yb1.97 -","- Ga9.002 Pd3 Yb1.9742 -","- Ga36.008 Pd12 Yb7.8968 -","4","0.25","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71073","MoKα","","0.0754","0.0297","","","0.0731","0.0984","","","","","","0.893","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001617","7.608","0.003","7.608","0.003","28.508","0.015","90","","90","","120","","1429","1.1","298","2","298","2","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","","","","- Ga9 Pd3 Yb2 -","- Ga9 Pd3 Yb2 -","- Ga54 Pd18 Yb12 -","6","0.5","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71069","MoKα","","0.1323","0.0725","","","0.1085","0.1438","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001618","13.186","0.003","7.5987","0.0015","10.476","0.002","90","","114.9","0.009","90","","952.1","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga9 Pd3 Yb2 -","- Ga9 Pd3 Yb2 -","- Ga36 Pd12 Yb8 -","4","0.5","","Phelan, W. Adam; Menard, Melissa C.; Kangas, Michael J.; McCandless, Gregory T.; Drake, Brenton L.; Chan, Julia Y.","Adventures in Crystal Growth: Synthesis and Characterization of Single Crystals of Complex Intermetallic Compounds","Chemistry of Materials","2012","24","3","409","","10.1021/cm2019873","","","0.71073","MoKα","","0.0685","0.0534","","","0.1883","0.197","","","","","","1.349","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001619","39.021","0.008","7.343","0.0015","7.3939","0.0015","90","","90","","90","","2118.6","0.7","373","1","373","1","","","","","","","see text","5","C m c a","-C 2ac 2","64","","","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C64 H96 Cl16 Cu4 N8 -","4","","","Polyakov, Alexey O.; Arkenbout, Anne H.; Baas, Jacob; Blake, Graeme R.; Meetsma, Auke; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.","Coexisting Ferromagnetic and Ferroelectric Order in a CuCl4-based Organic‒Inorganic Hybrid","Chemistry of Materials","2012","24","1","133","","10.1021/cm2023696","","","0.71073","MoKα","","0.0653","0.0544","","","0.1481","0.1597","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001620","7.2099","0.0009","7.2664","0.0009","38.238","0.005","90","","90","","90","","2003.3","0.4","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl4 Cu N2 -","- C16 H24 Cl4 Cu N2 -","- C64 H96 Cl16 Cu4 N8 -","4","0.5","","Polyakov, Alexey O.; Arkenbout, Anne H.; Baas, Jacob; Blake, Graeme R.; Meetsma, Auke; Caretta, Antonio; van Loosdrecht, Paul H. M.; Palstra, Thomas T. M.","Coexisting Ferromagnetic and Ferroelectric Order in a CuCl4-based Organic‒Inorganic Hybrid","Chemistry of Materials","2012","24","1","133","","10.1021/cm2023696","","","0.71073","MoKα","","0.0437","0.04","","","0.1106","0.112","","","","","","1.329","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001621","18.5561","0.0004","18.5561","0.0004","21.2628","0.0005","90","","90","","120","","6340.5","0.2","150","2","150","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C73 H57 Br2 Cl9 Cu2 N2 P4 -","- C73 H57 Br2 Cl9 Cu2 N2 P4 -","- C219 H171 Br6 Cl27 Cu6 N6 P12 -","3","0.5","","Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong","Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine","Chemistry of Materials","2012","24","3","480","","10.1021/cm202608f","","","1.54178","CuKα","","0.1139","0.1041","","","0.2175","0.2221","","","","","","1.091","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001622","18.41","0.004","18.41","0.004","21.321","0.002","90","","90","","120","","6258","2","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C37 H29 Cl7 Cu N P2 -","- C37 H29 Cl7 Cu N P2 -","- C222 H174 Cl42 Cu6 N6 P12 -","6","1","","Tan, Xin; Li, Lei; Zhang, Jianyong; Han, Xiaorui; Jiang, Long; Li, Fuwei; Su, Cheng-Yong","Three-Dimensional Phosphine Metal‒Organic Frameworks Assembled from Cu(I) and Pyridyl Diphosphine","Chemistry of Materials","2012","24","3","480","","10.1021/cm202608f","","","1.54178","CuKα","","0.2134","0.1237","","","0.2375","0.2615","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001623","27.6","0.02","5.633","0.004","7.961","0.007","90","","95.498","0.012","90","","1232","1.7","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H8 F3 N O2 -","- C15 H8 F3 N O2 -","- C60 H32 F12 N4 O8 -","4","1","","Nakayama, Hikaru; Nishida, Jun-ichi; Takada, Noriyuki; Sato, Hiroyasu; Yamashita, Yoshiro","Crystal Structures and Triboluminescence Based on Trifluoromethyl and Pentafluorosulfanyl Substituted AsymmetricN-Phenyl Imide Compounds","Chemistry of Materials","2012","24","4","671","","10.1021/cm202650u","","","0.71075","MoKα","","","0.0615","","","","0.1543","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001624","8.2084","0.0008","5.7718","0.0006","28.328","0.003","90","","90","","90","","1342.1","0.2","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H8 F5 N O2 S -","- C14 H8 F5 N O2 S -","- C56 H32 F20 N4 O8 S4 -","4","1","","Nakayama, Hikaru; Nishida, Jun-ichi; Takada, Noriyuki; Sato, Hiroyasu; Yamashita, Yoshiro","Crystal Structures and Triboluminescence Based on Trifluoromethyl and Pentafluorosulfanyl Substituted AsymmetricN-Phenyl Imide Compounds","Chemistry of Materials","2012","24","4","671","","10.1021/cm202650u","","","0.71075","MoKα","","","0.0786","","","","0.2467","","","","","","1.127","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001625","13.582","0.0004","10.8173","0.0003","14.7037","0.0005","90","","110.628","0.001","90","","2021.78","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co2 N O11 -","- C18 H14 Co2 N O11 -","- C72 H56 Co8 N4 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0344","0.031","","","0.0848","0.0878","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001626","13.5674","0.0005","10.7942","0.0004","14.6837","0.0005","90","","110.638","0.001","90","","2012.42","0.13","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co1.66 N Ni0.34 O11 -","- C18 H14 Co1.66 N Ni0.34 O11 -","- C72 H56 Co6.64 N4 Ni1.36 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0276","0.0257","","","0.0759","0.0769","","","","","","1.075","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001627","13.5146","0.0008","10.7692","0.0006","14.6278","0.0008","90","","110.631","0.001","90","","1992.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co1.09 N Ni0.91 O11 -","- C18 H14 Co1.1 N Ni0.9 O11 -","- C72 H56 Co4.4 N4 Ni3.6 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0665","0.0428","","","0.0966","0.1096","","","","","","0.988","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001628","13.5186","0.0006","10.7685","0.0005","14.6323","0.0007","90","","110.63","0.001","90","","1993.51","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Co0.25 N Ni1.75 O11 -","- C18 H14 Co0.26 N Ni1.74 O11 -","- C72 H56 Co1.04 N4 Ni6.96 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.0459","0.0361","","","0.091","0.0965","","","","","","1.016","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001629","13.5204","0.0007","10.7639","0.0005","14.6348","0.0007","90","","110.532","0.001","90","","1994.54","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N Ni2 O11 -","- C18 H14 N Ni2 O11 -","- C72 H56 N4 Ni8 O44 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Magnetic Modulation and Cation-Exchange in a Series of Isostructural (4,8)-Connected Metal‒Organic Frameworks with Butterfly-like [M4(OH)2(RCO2)8] Building Units","Chemistry of Materials","2012","24","2","303","","10.1021/cm202876r","","","0.71073","MoKα","","0.053","0.0394","","","0.1001","0.109","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001630","30.0618","0.0002","17.5261","0.0001","32.1751","0.0002","90","","101.536","0.0003","90","","16609.5","0.18","153.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H86 Cl24 Cr12 O111 Si W12 -","- C48 Cl24 Cr12 O112 Si W12 -","- C192 Cl96 Cr48 O448 Si4 W48 -","4","0.5","","Uchida, Sayaka; Eguchi, Ryo; Nakamura, Shinnosuke; Ogasawara, Yoshiyuki; Kurosawa, Noriyuki; Mizuno, Noritaka","Selective Sorption of Olefins by Halogen-Substituted Macrocation-Polyoxometalate Porous Ionic Crystals","Chemistry of Materials","2012","24","2","325","","10.1021/cm202976e","","","0.71069","MoKα","","","0.0388","","","","0.1351","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001631","30.2018","0.0002","17.6117","0.0001","32.5763","0.0003","90","","102.375","","90","","16924.9","0.2","153.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H84 Br24 Cr12 O110 Si W12 -","- C48 Br25 Cr12 O104 Si0.5 W12 -","- C192 Br100 Cr48 O416 Si2 W48 -","4","0.5","","Uchida, Sayaka; Eguchi, Ryo; Nakamura, Shinnosuke; Ogasawara, Yoshiyuki; Kurosawa, Noriyuki; Mizuno, Noritaka","Selective Sorption of Olefins by Halogen-Substituted Macrocation-Polyoxometalate Porous Ionic Crystals","Chemistry of Materials","2012","24","2","325","","10.1021/cm202976e","","","0.71069","MoKα","","","0.1255","","","","0.3669","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001632","31.674","0.014","10.142","0.005","24.001","0.01","90","","115.291","0.006","90","","6971","5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 Cu2 I2 N4 -","- C34 H27 Cu2 I2 N4 -","- C272 H216 Cu16 I16 N32 -","8","1","","Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng","Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster","Chemistry of Materials","2012","24","5","954","","10.1021/cm2029855","","","0.71073","MoKα","","0.1285","0.0795","","","0.2013","0.2434","","","","","","1.012","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001633","12.717","0.008","15.016","0.009","7.578","0.005","90","","90","","90","","1447.1","1.6","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","","Wang, Xuchun; Tian, Xiaohe; Zhang, Qiong; Sun, Pingping; Wu, Jieying; Zhou, Hongping; Jin, Baokang; Yang, Jiaxiang; Zhang, Shengyi; Wang, Chuankui; Tao, Xutang; Jiang, Minhua; Tian, Yupeng","Assembly, Two-Photon Absorption, and Bioimaging of Living Cells of A Cuprous Cluster","Chemistry of Materials","2012","24","5","954","","10.1021/cm2029855","","","0.71073","MoKα","","0.1181","0.0462","","","0.1009","0.145","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001634","16.801","0.003","8.3296","0.0017","11.623","0.002","90","","109.92","0.03","90","","1529.3","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba3 Ga3 N5 -","- Ba3 Ga3 N5 -","- Ba24 Ga24 N40 -","8","1","","Hintze, Frauke; Hummel, Franziska; Schmidt, Peter J.; Wiechert, Detlef; Schnick, Wolfgang","Ba3Ga3N5—A Novel Host Lattice for Eu2±Doped Luminescent Materials with Unexpected Nitridogallate Substructure","Chemistry of Materials","2012","24","2","402","","10.1021/cm203323u","","","0.71073","MoKα","","0.0781","0.0523","","","0.1301","0.1458","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001635","10.42002","0.00013","10.45229","0.00017","11.62209","0.00017","90","","90","","90","","1265.8","0.03","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 N O9 P2 Zn -","- C5 H15 N O9 P2 Zn -","- C20 H60 N4 O36 P8 Zn4 -","4","1","","Simon-Masseron, Angélique; Paillaud, Jean-Louis; Patarin, Joël","Mu-21: A Three-Dimensional Microporous Zincophosphate Obtained by Direct Synthesis and Reversible Dehydration of the Zincophosphate Mu-19","Chemistry of Materials","2003","15","4","1000","1005","10.1021/cm021330g","powder diffraction","x-ray","1.5406","","","","","","","","","0.05691","","2.52","","","","","","","has coordinates","218970","2020-10-21","18:00:00",""
"4001636","7.448","0.0005","7.448","","7.448","","90","","90","","90","","413.16","0.03","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu3 Ga2 O12 Sb2 -","- Ca Cu3 Ga2 O12 Sb2 -","- Ca2 Cu6 Ga4 O24 Sb4 -","2","0.0833333","","Byeon, Song-Ho; Lufaso, Michael W.; Parise, John B.; Woodward, Patrick M.; Hansen, Thomas","High-Pressure Synthesis and Characterization of Perovskites with Simultaneous Ordering of Both the A- and B-Site Cations, CaCu3Ga2M2O12(M = Sb, Ta)","Chemistry of Materials","2003","15","20","3798","","10.1021/cm034318c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001637","7.46558","0.00016","7.46558","","7.46558","","90","","90","","90","","416.093","0.009","","","","","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Ca Cu3 Ga2.02 O12 Ta2.02 -","- Ca Cu3 Ga2.02 O12 Ta2.02 -","- Ca2 Cu6 Ga4.04 O24 Ta4.04 -","2","0.0833333","","Byeon, Song-Ho; Lufaso, Michael W.; Parise, John B.; Woodward, Patrick M.; Hansen, Thomas","High-Pressure Synthesis and Characterization of Perovskites with Simultaneous Ordering of Both the A- and B-Site Cations, CaCu3Ga2M2O12(M = Sb, Ta)","Chemistry of Materials","2003","15","20","3798","","10.1021/cm034318c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001638","19.72","0.002","8.9762","0.001","21.36","0.002","90","","102.607","0.002","90","","3689.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","01354","","","- C20 H44 B4 F16 Li4 O10 -","- C20 H44 B4 F15.96 Li4 O10 -","- C80 H176 B16 F63.84 Li16 O40 -","4","1","","Henderson, Wesley A.; Brooks, Neil R.; Young, Victor G.","Tetraglyme−Li+Cation Solvate Structures: Models for Amorphous Concentrated Liquid and Polymer Electrolytes (II)","Chemistry of Materials","2003","15","24","4685","","10.1021/cm034352r","","","0.71073","MoKα","","0.0635","0.042","","","0.1009","0.1145","","","","","","1.026","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4001639","11.1463","0.0005","13.321","0.0006","9.7149","0.0004","90","","105.478","0.001","90","","1390.15","0.11","293","0.2","293","0.2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- In2 O15 Se6 -","- In2 O15 Se6 -","- In8 O60 Se24 -","4","2","","Ok, Kang Min; Halasyamani, P. Shiv","New Selenites: Syntheses, Structures, and Characterization of Centrosymmetric Al2(Se2O5)3and Ga2(Se2O5)3and Non-centrosymmetric In2(Se2O5)3","Chemistry of Materials","2002","14","5","2360","","10.1021/cm011694t","","","0.71073","MoKα","","0.0316","0.0301","","","0.0813","0.0825","","","","","","0.902","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001640","8.5609","0.0016","12.89","0.003","10.652","0.003","90","","97.31","0.03","90","","1165.9","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Nb2 O16 Re2 -","- C8 H24 Nb2 O16 Re2 -","- C16 H48 Nb4 O32 Re4 -","2","0.5","","Shcheglov, Pavel A.; Drobot, Dmitry V.; Seisenbaeva, Gulaim A.; Gohil, Suresh; Kessler, Vadim G.","Alkoxide Route to Mixed Oxides of Rhenium, Niobium, and Tantalum. Preparation and X-ray Single-Crystal Study of a Novel Rhenium−Niobium Methoxo Complex, Nb2(OMe)8(ReO4)2","Chemistry of Materials","2002","14","5","2378","","10.1021/cm011726c","","","0.71073","MoKα","","0.1419","0.0679","","","0.1417","0.1604","","","","","","0.902","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001641","3.8127","0.0004","15.551","0.001","7.039","0.0005","90","","90","","90","","417.35","0.06","295","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","zirconium palladium silicide","","","- Pd3 Si3 Zr -","- Pd3 Si3 Zr -","- Pd12 Si12 Zr4 -","4","0.25","","Wang, Meitian; Mar, Arthur","The Ternary Silicide ZrPd3Si3, a Stacking Variant of the α-FeSi2and Re3B Structure Types","Chemistry of Materials","1999","11","11","3232","","10.1021/cm990296b","","","0.71073","MoKα","","0.0256","0.0227","","","0.046","0.047","","","","","","1.189","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001642","4.86","0.03","10.22","0.04","14.8","0.08","74.14","0.15","87.14","0.11","80.75","0.15","698","6","120","","120","","","","","","","","","4","P -1","-P 1","2","Copper Hexadecafluorophthalocyanine","(29F,31F-phthalocyaninato(2-)-N29,N30,N31,N32)copper","","- C32 Cu F16 N8 -","- C32 Cu F16 N8 -","- C32 Cu F16 N8 -","1","0.5","","Pandey, Priyanka A.; Rochford, Luke A.; Keeble, Dean S.; Rourke, Jonathan P.; Jones, Tim S.; Beanland, Richard; Wilson, Neil R.","Resolving the Nanoscale Morphology and Crystallographic Structure of Molecular Thin Films: F16CuPc on Graphene Oxide","Chemistry of Materials","2012","24","7","1365","","10.1021/cm300073v","","","0.6889","Synchrotron","","0.1999","0.1238","","","0.2882","0.367","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001643","15.215","0.003","14.797","0.003","10.103","0.002","90","","101.369","0.004","90","","2229.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 N2 O2 S2 -","- C50 H64 N2 O2 S2 -","- C100 H128 N4 O4 S4 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.0886","0.0585","","","0.0902","0.0936","","","","","","1.835","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001644","18.2356","0.0012","14.3381","0.001","9.8764","0.0006","90","","96.891","0.005","90","","2563.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H68 N2 O2 S4 -","- C58 H68 N2 O2 S4 -","- C116 H136 N4 O4 S8 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.1028","0.054","","","0.1346","0.1671","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001645","19.4619","0.0018","15.099","0.0013","9.847","0.0007","90","","96.944","0.006","90","","2872.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H72 N2 O2 S6 -","- C66 H72 N2 O2 S6 -","- C132 H144 N4 O4 S12 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.1517","0.0657","","","0.1519","0.1979","","","","","","0.975","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001646","57.201","0.008","10.5227","0.0015","9.1022","0.0012","90","","97.505","0.003","90","","5431.8","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H76 N2 O2 S4 -","- C62 H42 N2 O2 S4 -","- C248 H168 N8 O8 S16 -","4","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.0805","0.063","","","0.1634","0.1749","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001647","13.414","0.002","14.427","0.002","10.0793","0.0015","90","","92.804","0.009","90","","1948.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 N2 O2 S4 -","- C46 H38 N2 O2 S4 -","- C92 H76 N4 O4 S8 -","2","0.5","","Kim, Chunki; Liu, Jianhua; Lin, Jason; Tamayo, Arnold B.; Walker, Bright; Wu, Guang; Nguyen, Thuc-Quyen","Influence of Structural Variation on the Solid-State Properties of Diketopyrrolopyrrole-Based Oligophenylenethiophenes: Single-Crystal Structures, Thermal Properties, Optical Bandgaps, Energy Levels, Film Morphology, and Hole Mobility","Chemistry of Materials","2012","24","10","1699","","10.1021/cm202852f","","","0.71073","MoKα","","0.0754","0.0597","","","0.1133","0.1153","","","","","","2.545","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001648","51.207","0.005","4.3452","0.0005","14.3095","0.0015","90","","101.268","0.002","90","","3122.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cs Se1.02 Te4.98 -","- Bi4 Cs Se1.0245 Te4.9755 -","- Bi32 Cs8 Se8.196 Te39.804 -","8","1","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.0722","0.0514","","","0.135","0.1442","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001649","51.525","0.007","4.3632","0.0006","14.447","0.002","90","","101.399","0.002","90","","3183.8","0.8","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi3.55 Cs Sb0.45 Te6 -","- Bi3.5475 Cs Sb0.4525 Te6 -","- Bi28.38 Cs8 Sb3.62 Te48 -","8","1","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.0922","0.0534","","","0.1242","0.1372","","","","","","0.955","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001650","63.677","0.011","4.3157","0.0008","14.387","0.003","90","","101.483","0.002","90","","3874.6","1.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cs0.8 Se0.72 Te5.28 -","- Bi4 Cs0.804 Se0.72 Te5.28 -","- Bi40 Cs8.04 Se7.2 Te52.8 -","10","1.25","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.099","0.0659","","","0.1709","0.1851","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001651","24.006","0.012","4.291","0.002","14.258","0.007","90","","90","","90","","1468.7","1.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi3.75 Cs0.75 Se3.3 Te2.7 -","- Bi3.75 Cs0.75 Se3.31 Te2.69 -","- Bi15 Cs3 Se13.24 Te10.76 -","4","0.5","","Chung, Duck Young; Uher, Ctirad; Kanatzidis, Mercouri G.","Sb and Se Substitution in CsBi4Te6: The Semiconductors CsM4Q6(M = Bi, Sb; Q = Te, Se), Cs2Bi10Q15, and CsBi5Q8","Chemistry of Materials","2012","24","10","1854","","10.1021/cm300490v","","","0.71073","MoKα","","0.118","0.0537","","","0.1195","0.149","","","","","","1.138","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001652","3.9494","0.0006","26.391","0.008","19.93","0.004","90","","95.3","0.02","90","","2068.4","0.8","183","2","183","2","","","","","","","purchased from the Aldrich Chemical Co.","4","P 1 21/c 1","-P 2ybc","14","","1,4-di-p-toluidinoanthraquinone","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C112 H88 N8 O8 -","4","1","","Saito, Toshiro; Liu, Chong-yang; Lynch, Vincent M.; Bard, Allen J.","Orientational Dependence of the Color and Photoconductivity of 1,4-Di-p-toluidinoanthraquinone Single Crystals","Chemistry of Materials","1997","9","6","1318","","10.1021/cm960652f","","","0.71073","MoKα","","0.2054","0.0781","","0.1883","0.1339","","","","1.028","1.255","1.255","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4001653","6.794","0.002","15.525","0.002","10.496","0.002","90","","90.54","0.02","90","","1107","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cl7 Er -","- Ba2 Cl7 Er -","- Ba8 Cl28 Er4 -","4","1","","Wickleder, M. S.; Egger, P.; Riedener, T.; Furer, N.; Güdel, H. U.; Hulliger, J.","Synthesis and Crystal Structure of the New Ternary Halide Series Ba2MCl7(M = Gd−Yb, Y) Containing the Highly Efficient Up-Conversion Material Ba2ErCl7","Chemistry of Materials","1996","8","12","2828","","10.1021/cm960324f","","","0.71073","MoKα","","0.034","0.0255","","0.0751","0.0681","","","","1.175","1.141","1.141","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001654","6.8261","0.001","15.584","0.002","10.5578","0.001","90","","90.67","0.01","90","","1123","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 Cl7 Gd -","- Ba2 Cl7 Gd -","- Ba8 Cl28 Gd4 -","4","1","","Wickleder, M. S.; Egger, P.; Riedener, T.; Furer, N.; Güdel, H. U.; Hulliger, J.","Synthesis and Crystal Structure of the New Ternary Halide Series Ba2MCl7(M = Gd−Yb, Y) Containing the Highly Efficient Up-Conversion Material Ba2ErCl7","Chemistry of Materials","1996","8","12","2828","","10.1021/cm960324f","","","0.71073","MoKα","","0.0284","0.0226","","0.0715","0.069","","","","1.052","1.072","1.072","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001655","17.28","0.005","17.28","0.005","23.129","0.008","90","","90","","90","","6906","4","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","Eu&v14&0InSb&v11&0","","","- Eu14 In Sb11 -","- Eu14 In Sb11 -","- Eu112 In8 Sb88 -","8","0.25","","Chan, Julia Y.; Wang, Mary E.; Rehr, Anette; Kauzlarich, Susan M.; Webb, David J.","Synthesis, Structure, and Magnetic Properties of the Rare-Earth Zintl Compounds Eu14MnPn11and Eu14InPn11(Pn = Sb, Bi)","Chemistry of Materials","1997","9","10","2131","","10.1021/cm970219l","","","0.71073","MoKα","","0.0514","0.0404","","0.0865","0.0823","","","","1.09","1.13","1.13","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001656","17.632","0.004","17.632","0.004","23.047","0.006","90","","90","","90","","7165","3","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","Eu&v14&0MnBi&v11&0","","","- Bi11 Eu14 Mn -","- Bi11 Eu14 Mn -","- Bi88 Eu112 Mn8 -","8","0.25","","Chan, Julia Y.; Wang, Mary E.; Rehr, Anette; Kauzlarich, Susan M.; Webb, David J.","Synthesis, Structure, and Magnetic Properties of the Rare-Earth Zintl Compounds Eu14MnPn11and Eu14InPn11(Pn = Sb, Bi)","Chemistry of Materials","1997","9","10","2131","","10.1021/cm970219l","","","0.71073","MoKα","","0.0803","0.0453","","0.0896","0.0782","","","","0.987","1.045","1.045","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001657","3.9101","0.0001","3.9101","0.0001","9.4758","0.0006","90","","90","","90","","144.874","0.011","293","2","293","2","","","","","","","CaS + CuI + NH4I in NH3 at 365 C","4","P 4/m m m","-P 4 2","123","Ammonium tetracoppertrisulfide","","","- Cu4 H4 N S3 -","- Cu4 H2 N S3 -","- Cu4 H2 N S3 -","1","0.0625","","Purdy, Andrew P.","Ammonothermal Crystal Growth of Sulfide Materials","Chemistry of Materials","1998","10","3","692","","10.1021/cm970674h","","","0.71073","MoKα","","0.0334","0.0274","","0.0701","0.0661","","","","1.072","1.091","1.091","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001658","3.94","0.0004","3.94","0.0004","6.523","0.0013","90","","90","","120","","87.69","0.02","293","2","293","2","","","","","","","CaS + CuI + NH4I in NH3 at 365 C","3","P -3 m 1","-P 3 2""","164","calcium copper sulfide","","","- Ca Cu2 S2 -","- Ca Cu2 S2 -","- Ca Cu2 S2 -","1","0.0833333","","Purdy, Andrew P.","Ammonothermal Crystal Growth of Sulfide Materials","Chemistry of Materials","1998","10","3","692","","10.1021/cm970674h","","","0.71073","MoKα","","0.0597","0.0463","","0.139","0.1283","","","","1.128","1.153","1.153","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001659","12.475","0.003","8.2371","0.0016","11.536","0.002","90","","113.73","0.03","90","","1085.2","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(η^7^-cycloheptatrienyl)-(η^5^-methylcyclopentadienyl)-zirconium","","- C13 H14 Zr -","- C13 H14 Zr -","- C52 H56 Zr4 -","4","1","","Niinistö, Jaakko; Hatanpää, Timo; Kariniemi, Maarit; Mäntymäki, Miia; Costelle, Leila; Mizohata, Kenichiro; Kukli, Kaupo; Ritala, Mikko; Leskelä, Markku","Cycloheptatrienyl-Cyclopentadienyl Heteroleptic Precursors for Atomic Layer Deposition of Group 4 Oxide Thin Films","Chemistry of Materials","2012","24","11","2002","","10.1021/cm2030735","","","0.71073","MoKα","","0.0284","0.0234","","","0.0894","0.0988","","","","","","0.88","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001660","9.9965","0.0001","18.7645","0.0002","25.06","0.0003","90","","98.076","0.001","90","","4654.12","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Cl7 In3 O8 Sn4 -","- C24 H54 Cl7 In3 O8 Sn4 -","- C96 H216 Cl28 In12 O32 Sn16 -","4","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.0364","0.0296","","","0.0551","0.0565","","","","","","1.21","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001661","11.1655","0.0002","20.1365","0.0004","33.784","0.0006","90","","90","","90","","7595.8","0.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H63 In N2 O3 Si4 Sn -","- C24 H63 In N2 O3 Si4 Sn -","- C192 H504 In8 N16 O24 Si32 Sn8 -","8","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.1001","0.0608","","","0.0802","0.088","","","","","","1.147","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001662","34.3847","0.0008","12.4962","0.0002","25.0818","0.0005","90","","95.641","0.002","90","","10724.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.94 H66.37 Cl6.51 In3 O8.49 Sn4 -","- C32.944 H66.374 Cl6.514 In3 O8.486 Sn4 -","- C263.552 H530.992 Cl52.112 In24 O67.888 Sn32 -","8","1","","Samedov, Kerim; Aksu, Yilmaz; Driess, Matthias","Facile Molecular Approach to Transparent Thin-Film Field-Effect Transistors with High-Performance Using New Homo- and Heteroleptic Indium(III)‒Tin(II) Single-Source Precursors","Chemistry of Materials","2012","24","11","2078","","10.1021/cm300510y","","","0.71073","MoKα","","0.0526","0.031","","","0.0489","0.0524","","","","","","0.942","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001663","22.152","0.004","9.7488","0.0014","17.9625","0.0018","90","","97.127","0.011","90","","3849.1","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 F4 Ir N4 O6 -","- C34 H25 F4 Ir N4 O6 -","- C136 H100 F16 Ir4 N16 O24 -","4","1","","Marín-Suárez, Marta; Curchod, Basile F. E.; Tavernelli, Ivano; Rothlisberger, Ursula; Scopelliti, Rosario; Jung, Il; Di Censo, Davide; Grätzel, Michael; Fernández-Sánchez, Jorge Fernando; Fernández-Gutiérrez, Alberto; Nazeeruddin, Md. Khaja; Baranoff, Etienne","Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing","Chemistry of Materials","2012","24","12","2330","","10.1021/cm300575z","","","0.71073","MoKα","","0.0596","0.0555","","","0.1321","0.1344","","","","","","1.186","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001664","20.248","0.003","12.5782","0.0014","15.3528","0.001","90","","91.222","0.009","90","","3909.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 F10 Ir N3 O4 -","- C32 H14 F10 Ir N3 O4 -","- C128 H56 F40 Ir4 N12 O16 -","4","1","","Marín-Suárez, Marta; Curchod, Basile F. E.; Tavernelli, Ivano; Rothlisberger, Ursula; Scopelliti, Rosario; Jung, Il; Di Censo, Davide; Grätzel, Michael; Fernández-Sánchez, Jorge Fernando; Fernández-Gutiérrez, Alberto; Nazeeruddin, Md. Khaja; Baranoff, Etienne","Nanocomposites Containing Neutral Blue Emitting Cyclometalated Iridium(III) Emitters for Oxygen Sensing","Chemistry of Materials","2012","24","12","2330","","10.1021/cm300575z","","","0.71073","MoKα","","0.038","0.031","","","0.0687","0.0714","","","","","","1.158","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001665","13.812","0.003","7.9624","0.0016","6.37","0.0013","90","","90","","90","","700.6","0.3","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li4 S4 Sn -","- Li4 S4 Sn -","- Li16 S16 Sn4 -","4","0.5","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0531","0.0362","","","0.0801","0.0849","","","","","","0.948","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001666","12.7429","0.0004","12.7429","0.0004","12.7429","0.0004","90","","90","","90","","2069.21","0.11","193","2","193","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- H26 Li4 O13 S4 Sn -","- H20.01 Li4 O13 S4 Sn -","- H80.04 Li16 O52 S16 Sn4 -","4","0.333333","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0328","0.0297","","","0.0739","0.0751","","","","","","1.07","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001667","10.849","0.002","23.029","0.005","14.61","0.003","90","","98.46","0.03","90","","3610.5","1.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H52 Li4 O13 S4 Sn -","- C13 H52 Li4 O13 S4 Sn -","- C52 H208 Li16 O52 S16 Sn4 -","4","1","","Kaib, Thomas; Haddadpour, Sima; Kapitein, Manuel; Bron, Philipp; Schröder, Cornelia; Eckert, Hellmut; Roling, Bernhard; Dehnen, Stefanie","New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li±Conducting Tetralithiumortho-Sulfidostannate Li4SnS4","Chemistry of Materials","2012","24","11","2211","","10.1021/cm3011315","","","0.71073","MoKα","","0.0479","0.0294","","","0.0579","0.0597","","","","","","0.802","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001668","21.8","0.003","21.8","0.003","35.407","0.007","90","","90","","90","","16827","5","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C42 H24 Fe3 O16 -","- C42 H24 Fe3 O16 -","- C336 H192 Fe24 O128 -","8","1","","Dan-Hardi, Meenakshi; Chevreau, Hubert; Devic, Thomas; Horcajada, Patricia; Maurin, Guillaume; Férey, Gérard; Popov, Dmitry; Riekel, Christian; Wuttke, Stefan; Lavalley, Jean-Claude; Vimont, Alexandre; Boudewijns, Tom; de Vos, Dirk; Serre, Christian","How Interpenetration Ensures Rigidity and Permanent Porosity in a Highly Flexible Hybrid Solid","Chemistry of Materials","2012","24","13","2486","","10.1021/cm300450x","","","0.9613","synchrotron","","0.1172","0.1017","","","0.2495","0.2663","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001669","9.9755","0.0001","9.9755","0.0001","57.2943","0.0009","90","","90","","120","","4937.55","0.1","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag3 In2 Mo15 Se19 -","- Ag2.9874 In2 Mo15 Se19 -","- Ag17.9244 In12 Mo90 Se114 -","6","0.166667","","Gougeon, Patrick; Gall, Philippe; Al Rahal Al Orabi, Rabih; Fontaine, Bruno; Gautier, Régis; Potel, Michel; Zhou, Tong; Lenoir, Bertrand; Colin, Malika; Candolfi, Christophe; Dauscher, Anne","Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound Ag3In2Mo15Se19","Chemistry of Materials","2012","24","15","2899","","10.1021/cm3009557","","","0.71073","MoKα","","0.0555","0.0293","","","0.0512","0.0562","","","","1.17","1.17","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001670","20.1749","0.0002","20.1749","0.0002","16.3257","0.0003","90","","90","","90","","6644.99","0.15","296","2","296","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C26 H16 N5 O12 Zn3 -","- C26 H12 N5 O12 Zn3 -","- C104 H48 N20 O48 Zn12 -","4","0.25","","Zhai, Quan-Guo; Lin, Qipu; Wu, Tao; Wang, Le; Zheng, Shou-Tian; Bu, Xianhui; Feng, Pingyun","High CO2and H2Uptake in an Anionic Porous Framework with Amino-Decorated Polyhedral Cages","Chemistry of Materials","2012","24","14","2624","","10.1021/cm301322b","","","0.71073","MoKα","","0.0539","0.0468","","","0.1441","0.1489","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001671","9.7508","0.0002","9.7508","0.0002","7.2153","0.0001","90","","90","","120","","594.108","0.019","296","2","296","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge0.77 La9.33 O26 Si5.23 -","- Ge0.768 La9.3302 O26 Si5.232 -","- Ge0.768 La9.3302 O26 Si5.232 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Ishizawa, Nobuo; Mino, Hiroki; Urushihara, Daisuke; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Combined Effect of Germanium Doping and Grain Alignment on Oxide-Ion Conductivity of Apatite-Type Lanthanum Silicate Polycrystal","Chemistry of Materials","2012","24","13","2611","","10.1021/cm301484q","","","0.71073","MoKα","","0.0154","0.0121","","","0.0183","0.0189","","","","1.38","1.38","1.35","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001672","13.4677","0.0011","4.7775","0.0003","18.7642","0.0016","90","","94.002","0.005","90","","1204.38","0.16","296","","296","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H10 F6 N2 O4 S2 -","- C30 H10 F6 N2 O4 S2 -","- C60 H20 F12 N4 O8 S4 -","2","0.5","","Ie, Yutaka; Ueta, Masashi; Nitani, Masashi; Tohnai, Norimitsu; Miyata, Mikiji; Tada, Hirokazu; Aso, Yoshio","Air-Stable n-Type Organic Field-Effect Transistors Based on 4,9-Dihydro-s-indaceno[1,2-b:5,6-b′]dithiazole-4,9-dione Unit","Chemistry of Materials","2012","24","16","3285","","10.1021/cm301985q","","","0.8","","","","0.0784","","","","0.2401","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001673","10.8124","0.0005","11.2603","0.0004","17.2799","0.0007","100.994","0.003","95.756","0.004","116.213","0.004","1811.71","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3pmntb","","","- C42 H42 N10 O3 -","- C42 H42 N10 O3 -","- C84 H84 N20 O6 -","2","1","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","0.71073","MoKα","","0.0859","0.0459","","","0.0906","0.0988","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001674","15.7186","0.0007","22.9863","0.001","25.617","0.001","81.312","0.004","77.044","0.004","84.599","0.004","8899.2","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C354 H315 Cl12 Eu4 N89 O48 -","- C354 H281 Cl12 Eu4 N89 O48 -","- C354 H281 Cl12 Eu4 N89 O48 -","1","0.5","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","1.54178","CuKα","","0.1252","0.0694","","","0.1739","0.1879","","","","","","0.999","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001675","14.2437","0.0003","25.8296","0.0007","27.8391","0.0008","90","","97.592","0.002","90","","10152.5","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H89 Ag3 Cl6 Eu N25 O25 -","- C94 H87 Ag3 Cl6 Eu N25 O25 -","- C376 H348 Ag12 Cl24 Eu4 N100 O100 -","4","1","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","0.71073","MoKα","","0.1365","0.0733","","","0.1734","0.1936","","","","","","1.006","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001676","14.2458","0.0001","25.8856","0.0002","27.836","0.0002","90","","97.447","0.001","90","","10178.2","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C94 H89 Ag3 Cl6 Gd N25 O25 -","- C94 H87 Ag3 Cl6 Gd N25 O25 -","- C376 H348 Ag12 Cl24 Gd4 N100 O100 -","4","1","","Liu, Yu; Pan, Mei; Yang, Qing-Yuan; Fu, Lei; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Dual-Emission from a Single-Phase Eu‒Ag Metal‒Organic Framework: An Alternative Way to Get White-Light Phosphor","Chemistry of Materials","2012","24","10","1954","","10.1021/cm3008254","","","1.54178","CuKα","","0.08","0.0662","","","0.2016","0.2096","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001677","10.1767","0.0007","4.9787","0.0004","10.2149","0.0007","90","","115.688","0.002","90","","466.4","0.06","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Trisilver Vanadate, Alpha","","","- Ag3 O4 V -","- Ag3 O4 V -","- Ag12 O16 V4 -","4","0.5","","Cloet, V.; Raw, A.; Poeppelmeier, K. R.; Trimarchi, G.; Peng, H.; Im, J.; Freeman, A.J.; Perry, N. H.; Mason, T. O.; Zakutayev, A.; Ndione, P. F.; Ginley, D. S.; Perkins, J. D.","Structural, Optical, and Transport Properties of α- and β-Ag3VO4","Chemistry of Materials","2012","24","17","3346","","10.1021/cm301119c","","","0.71073","MoKα","","0.0154","0.0151","","","0.0452","0.0454","","","","","","1.26","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001678","4.9795","0.0007","4.9795","0.0007","9.7271","0.0019","90","","90","","90","","241.19","0.07","400","2","400","2","","","","","","","","3","I -4 2 m","I -4 2","121","Trisilver Vanadate, Beta","","","- Ag3 O4 V -","- Ag3 O4 V -","- Ag6 O8 V2 -","2","0.125","","Cloet, V.; Raw, A.; Poeppelmeier, K. R.; Trimarchi, G.; Peng, H.; Im, J.; Freeman, A.J.; Perry, N. H.; Mason, T. O.; Zakutayev, A.; Ndione, P. F.; Ginley, D. S.; Perkins, J. D.","Structural, Optical, and Transport Properties of α- and β-Ag3VO4","Chemistry of Materials","2012","24","17","3346","","10.1021/cm301119c","","","0.71073","MoKα","","0.045","0.0419","","","0.0708","0.0715","","","","","","1.197","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001679","22.13","0.003","22.13","0.003","13.31","0.003","90","","90","","120","","5645.1","1.7","293","2","293","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C144 H48 Co18 O160 -","- C144 H48 Co18 O160.2 -","- C144 H48 Co18 O160.2 -","1","0.0833333","","Hmadeh, Mohamad; Lu, Zheng; Liu, Zheng; Gándara, Felipe; Furukawa, Hiroyasu; Wan, Shun; Augustyn, Veronica; Chang, Rui; Liao, Lei; Zhou, Fei; Perre, Emilie; Ozolins, Vidvuds; Suenaga, Kazu; Duan, Xiangfeng; Dunn, Bruce; Yamamto, Yasuaki; Terasaki, Osamu; Yaghi, Omar M.","New Porous Crystals of Extended Metal-Catecholates","Chemistry of Materials","2012","24","18","3511","","10.1021/cm301194a","","","0.92017","Synchrotronradiation","","0.0844","0.0734","","","0.2048","0.2136","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001680","13.8639","0.0005","13.8639","0.0005","9.3974","0.0006","90","","90","","120","","1564.26","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs Ga5 S12 -","- Cd3.9999 Cs Ga5.01 S12 -","- Cd11.9997 Cs3 Ga15.03 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0227","0.0217","","","0.0438","0.0441","","","","","","1.01","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001681","13.8071","0.0006","13.8071","0.0006","9.3492","0.0007","90","","90","","120","","1543.51","0.15","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 Rb S12 -","- Cd4.0005 Ga4.98 Rb S12 -","- Cd12.0015 Ga14.94 Rb3 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0233","0.0233","","","0.0539","0.0539","","","","","","1.087","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001682","13.7905","0.0005","13.7905","0.0005","9.3304","0.0006","90","","90","","120","","1536.71","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 K S12 -","- Cd3.999 Ga4.98 K S12 -","- Cd11.997 Ga14.94 K3 S36 -","3","0.333333","","Lin, Hua; Zhou, Liu-Jiang; Chen, Ling","Sulfides with Strong Nonlinear Optical Activity and Thermochromism: ACd4Ga5S12(A = K, Rb, Cs)","Chemistry of Materials","2012","24","17","3406","","10.1021/cm301550a","","","0.71073","MoKα","","0.0246","0.0242","","","0.0577","0.0578","","","","","","1.012","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001683","12.59","0.002","12.852","0.002","13.984","0.004","90","","107.63","0.02","90","","2156.4","0.8","150","2","150","2","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- Ge O8 Si3 -","- Ge1.0155 O8 Si2.9845 -","- Ge8.124 O64 Si23.876 -","8","2","","Yu, Zheng-Bao; Han, Yu; Zhao, Lan; Huang, Shiliang; Zheng, Qi-Yu; Lin, Shuangzheng; Córdova, Armando; Zou, Xiaodong; Sun, Junliang","Intergrown New Zeolite Beta Polymorphs with Interconnected 12-Ring Channels Solved by Combining Electron Crystallography and Single-Crystal X-ray Diffraction","Chemistry of Materials","2012","24","19","3701","","10.1021/cm301654d","","","0.6889","synchrotron","","0.1595","0.1139","","","0.2917","0.3195","","","","","","0.974","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001684","9.5974","0.0017","9.5974","","13.581","0.004","90","","90","","90","","1250.9","0.4","","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- B4 H20 K2 Mg N4 -","- B4 H20 K2 Mg N4 -","- B16 H80 K8 Mg4 N16 -","4","0.25","","Chua, Yong Shen; Li, Wen; Wu, Guotao; Xiong, Zhitao; Chen, Ping","From Exothermic to Endothermic Dehydrogenation ‒ Interaction of Monoammoniate of Magnesium Amidoborane and Metal Hydrides","Chemistry of Materials","2012","24","18","3574","","10.1021/cm301662q","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.16372","","1.31","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001685","9.4134","0.0017","9.4134","","12.7221","0.0023","90","","90","","90","","1127.3","0.3","","","298","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- B4 H20 Mg N4 Na2 -","- B4 H20 Mg N4 Na2 -","- B16 H80 Mg4 N16 Na8 -","4","0.25","","Chua, Yong Shen; Li, Wen; Wu, Guotao; Xiong, Zhitao; Chen, Ping","From Exothermic to Endothermic Dehydrogenation ‒ Interaction of Monoammoniate of Magnesium Amidoborane and Metal Hydrides","Chemistry of Materials","2012","24","18","3574","","10.1021/cm301662q","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.13414","","0.97","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001686","17.2723","0.0016","6.7511","0.0007","17.6663","0.0017","90","","115.134","0.006","90","","1865","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl4 N2 O4 Pt -","- C15 H14 Cl4 N2 O4 Pt -","- C60 H56 Cl16 N8 O16 Pt4 -","4","1","","Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.","Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys","Chemistry of Materials","2012","24","23","4517","","10.1021/cm3018105","","","0.71073","MoKα","","0.0487","0.0343","","0.106","0.085","0.106","","","","","","0.9072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001687","9.1145","0.0004","14.6632","0.0007","15.2749","0.0007","61.445","0.003","82.988","0.003","84.057","0.003","1777.33","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl2 N2 O4 Pt -","- C16 H16 Cl2 N2 O4 Pt -","- C64 H64 Cl8 N8 O16 Pt4 -","4","2","","Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.","Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys","Chemistry of Materials","2012","24","23","4517","","10.1021/cm3018105","","","0.71073","MolybdenumKα","","0.048","0.031","","0.037","0.034","","","","","1.06","1.06","","","","","has coordinates","194387","2020-10-21","18:00:00",""
"4001688","7.2871","0.0005","11.8947","0.0008","31.3949","0.002","94.642","0.004","90.283","0.004","95.377","0.004","2700.2","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H74 Cl8 N2 O4 Pt -","- C46 H74 Cl8 N2 O4 Pt -","- C92 H148 Cl16 N4 O8 Pt2 -","2","1","","Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.","Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys","Chemistry of Materials","2012","24","23","4517","","10.1021/cm3018105","","","0.71073","MolybdenumKα","","0.096","0.052","","0.132","0.051","","","","","1.21","1.21","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001689","10.7173","0.0006","10.7173","0.0006","10.7173","0.0006","90","","90","","90","","1230.99","0.12","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As27.8 K7.22 Zn18.2 -","- As27.8 K7.222 Zn18.2 -","- As27.8 K7.222 Zn18.2 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0204","0.0145","","","0.03","0.0313","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001690","10.7413","0.0006","10.7413","0.0006","10.7413","0.0006","90","","90","","90","","1239.28","0.12","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As27.8 Rb7.17 Zn18.2 -","- As27.8 Rb7.166 Zn18.2 -","- As27.8 Rb7.166 Zn18.2 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0291","0.0198","","","0.0356","0.0376","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001691","10.7731","0.0008","10.7731","0.0008","10.7731","0.0008","90","","90","","90","","1250.32","0.16","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As27.8 Cs6.36 Zn18.2 -","- As27.8 Cs6.358 Zn18.2 -","- As27.8 Cs6.358 Zn18.2 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0165","0.0147","","","0.0336","0.0343","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001692","11.3281","0.0005","11.3281","0.0005","11.3281","0.0005","90","","90","","90","","1453.69","0.11","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- As28.06 Cd17.94 Cs7.26 -","- As28.076 Cd17.924 Cs7.258 -","- As28.076 Cd17.924 Cs7.258 -","1","0.0208333","","He, Hua; Zevalkink, Alex; Gibbs, Zachary M.; Snyder, G. Jeffrey; Bobev, Svilen","Synthesis, Structural Characterization, and Physical Properties of the Type-I ClathratesA8Zn18As28(A= K, Rb, Cs) and Cs8Cd18As28","Chemistry of Materials","2012","24","18","3596","","10.1021/cm3020226","","","0.71073","MoKα","","0.0261","0.0212","","","0.0519","0.055","","","","","","1.066","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001693","5.49368","0.00023","5.47408","0.00022","22.0913","0.0008","90","","90","","90","","664.35","0.05","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","","","- Bi6 Cl Cr O14 Ti2 -","- Bi6 Cl Cr O14 Ti2 -","- Bi12 Cl2 Cr2 O28 Ti4 -","2","0.5","","Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.","Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics","Chemistry of Materials","2012","24","20","3932","","10.1021/cm302342v","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001694","5.51858","0.00022","5.48512","0.0002","22.18","0.0007","90","","90","","90","","671.39","0.04","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","","","- Bi6 Cl Fe O14 Ti2 -","- Bi6 Cl Fe O14 Ti2 -","- Bi12 Cl2 Fe2 O28 Ti4 -","2","0.5","","Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.","Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics","Chemistry of Materials","2012","24","20","3932","","10.1021/cm302342v","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001695","5.515","0.0004","5.4939","0.0004","22.0436","0.0013","90","","90","","90","","667.9","0.08","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","","","- Bi6 Cl Mn O14 Ti2 -","- Bi6 Cl Mn0.99999 O14 Ti2.00001 -","- Bi12 Cl2 Mn1.99998 O28 Ti4.00002 -","2","0.5","","Liu, S.; Miiller, W.; Liu, Y.; Avdeev, M.; Ling, C. D.","Sillen‒Aurivillius Intergrowth Phases as Templates for Naturally Layered Multiferroics","Chemistry of Materials","2012","24","20","3932","","10.1021/cm302342v","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001696","13.7022","0.0014","20.271","0.002","22.131","0.002","116.461","0.002","94.512","0.002","99.807","0.002","5338.8","0.9","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C58.5 H41 B2 Cl Co N6 O6 S4 -","- C58.5 H41 B2 Cl Co N6 O6 S4 -","- C234 H164 B8 Cl4 Co4 N24 O24 S16 -","4","2","","Liu, Wenjun; Huang, Weijie; Chen, Chun-Hsing; Pink, Maren; Lee, Dongwhan","Charge Injection and Transport in Metal-Containing Conducting Polymers: Spectroelectrochemical Mapping of Redox Activities","Chemistry of Materials","2012","24","18","3650","","10.1021/cm302361p","","","0.71073","MoKα","","0.1526","0.0637","","0.2793","0.1613","0.2793","","","","","","0.9525","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001697","21.843","0.004","16.346","0.003","22.79","0.004","90","","115.921","0.003","90","","7318","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H84 B2 Co N7 O6 S4 -","- C81 H84 B2 Co N7 O6 S4 -","- C324 H336 B8 Co4 N28 O24 S16 -","4","1","","Liu, Wenjun; Huang, Weijie; Chen, Chun-Hsing; Pink, Maren; Lee, Dongwhan","Charge Injection and Transport in Metal-Containing Conducting Polymers: Spectroelectrochemical Mapping of Redox Activities","Chemistry of Materials","2012","24","18","3650","","10.1021/cm302361p","","","0.71073","MoKα","","0.1332","0.0841","","","0.1988","0.2292","","","","","","1.019","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001698","13.4677","0.0004","26.8557","0.0005","11.116","0.0005","90","","90","","90","","4020.5","0.2","293","","293","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H43 La3 O40 P4 -","- C8 La3 O40 P4 -","- C32 La12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","Cuka","","","","","","","","0.13667","","3.49","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001699","13.36042","0.00033","26.282","0.0008","11.26679","0.00032","90","","90","","90","","3956.2","0.19","293","","293","","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C8 H43 La3 O40 P4 -","- C8 La3 O40 P4 -","- C32 La12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0621","","1.81","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001700","13.4033","0.0005","26.6912","0.001","11.0963","0.0005","90","","90","","90","","3969.7","0.3","293","","293","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8 H43 Ce3 O40 P4 -","- C8 Ce3 O40 P4 -","- C32 Ce12 O160 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.06693","","1.78","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001701","13.0433","0.0002","25.7014","0.0003","11.0757","0.0001","90","","90","","90","","3712.92","0.08","100","2","100","2","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C8 H36 Gd3 O36 P4 -","- C8 H8 Gd3 O32 P4 -","- C32 H32 Gd12 O128 P16 -","4","0.5","","Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio","Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations","Chemistry of Materials","2012","24","19","3780","","10.1021/cm302381k","","","0.71073","MoKα","","0.0253","0.0233","","","0.0608","0.0617","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001702","12.88625","0.00005","6.42081","0.00002","10.62842","0.00004","90","","90","","90","","879.397","0.005","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F2 K2 Ni2 O8 S2 -","- F2 K2 Ni2 O8 S2 -","- F8 K8 Ni8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","5.9665","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001703","13.05136","0.00003","6.496875","0.000017","10.71796","0.00003","90","","90","","90","","908.809","0.004","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Co2 F2 K2 O8 S2 -","- Co2 F2 K2 O8 S2 -","- Co8 F8 K8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","2.2305","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001704","13.15116","0.00003","6.539302","0.000014","10.86887","0.00003","90","","90","","90","","934.716","0.004","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F2 Fe2 K2 O8 S2 -","- F2 Fe2 K2 O8 S2 -","- F8 Fe8 K8 O32 S8 -","4","1","","Recham, Nadir; Rousse, Gwenaëlle; Sougrati, Moulay T.; Chotard, Jean-Noël; Frayret, Christine; Mariyappan, Sathiya; Melot, Brent C.; Jumas, Jean-Claude; Tarascon, Jean-Marie","Preparation and Characterization of a Stable FeSO4 F-Based Framework for Alkali Ion Insertion Electrodes","Chemistry of Materials","2012","24","22","4363","","10.1021/cm302428w","powder diffraction","","0.41311","Synchrotron","","","","","","","","","2.637","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001705","11.2503","0.0006","11.2531","0.0005","22.2884","0.0014","90","","97.26","0.005","90","","2799.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cs2 Hg2 In2 S6 -","- Cs2 Hg2 In2 S6 -","- Cs16 Hg16 In16 S48 -","8","1","","Li, Hao; Malliakas, Christos D.; Liu, Zhifu; Peters, John A.; Jin, Hosub; Morris, Collin D.; Zhao, Lidong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsHgInS3: a New Quaternary Semiconductor for γ-ray Detection","Chemistry of Materials","2012","24","22","4434","","10.1021/cm302838v","","","0.71073","MoKα","","0.1371","0.0777","","","0.1624","0.1852","","","","","","1.125","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001706","9.186","0.002","11.811","0.004","17.1785","0.001","90","","102.432","0.004","90","","1820.1","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1,2-bis(butylselanyl)ethane)tetrachlorotin(IV)","","- C10 H22 Cl4 Se2 Sn -","- C10 H22 Cl4 Se2 Sn -","- C40 H88 Cl16 Se8 Sn4 -","4","0.5","","de Groot, C. H. (Kees); Gurnani, Chitra; Hector, Andrew L.; Huang, Ruomeng; Jura, Marek; Levason, William; Reid, Gillian","Highly Selective Chemical Vapor Deposition of Tin Diselenide Thin Films onto Patterned Substrates via Single Source Diselenoether Precursors","Chemistry of Materials","2012","24","22","4442","","10.1021/cm302864x","","","0.71073","MoKα","","0.0402","0.0336","","","0.0753","0.0794","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001707","18.912","0.0003","18.912","0.0003","18.912","0.0003","90","","90","","90","","6764.14","0.19","293","2","293","2","","","","","","","","7","P -4 3 n","P -4n 2 3","218","","","","- C72 H48 Cu12 I12 N12 O29 Zn8 -","- C72 H48 Cu12 I12 N12 O29 Zn8 -","- C144 H96 Cu24 I24 N24 O58 Zn16 -","2","0.0833333","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes","Chemistry of Materials","2012","24","24","4711","","10.1021/cm302953x","","","0.71073","MoKα","","0.1171","0.0821","","","0.2199","0.245","","","","","","1.141","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001708","28.751","0.0008","18.0562","0.0004","16.7272","0.0005","90","","90","","90","","8683.7","0.4","293","2","293","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C18 H18 Cu4 I4 N6 O4 Zn -","- C18 H18 Cu4 I4 N6 O4 Zn -","- C144 H144 Cu32 I32 N48 O32 Zn8 -","8","","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes","Chemistry of Materials","2012","24","24","4711","","10.1021/cm302953x","","","0.71073","MoKα","","0.0586","0.0468","","","0.1439","0.1515","","","","","","1.099","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001709","18.0043","0.0008","21.1164","0.0009","18.1594","0.0014","90","","93.344","0.005","90","","6892.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Cu4 I4 Mn2 N5 O11 -","- C27 H24 Cu4 I4 Mn2 N5 O11 -","- C108 H96 Cu16 I16 Mn8 N20 O44 -","4","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Cluster-Organic Framework Materials as Heterogeneous Catalysts for High Efficient Addition Reaction of Diethylzinc to Aromatic Aldehydes","Chemistry of Materials","2012","24","24","4711","","10.1021/cm302953x","","","0.71073","MoKα","","0.1141","0.0577","","","0.1308","0.1479","","","","","","0.86","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001710","11.728","0.006","5.7953","0.0013","24.755","0.006","89.999","0.003","102.881","0.003","89.95","0.003","1640.2","1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- Bi26 Mo10 O69 -","- Bi26 Mo10 O69 -","- Bi26 Mo10 O69 -","1","0.5","","Ling, Chris D.; Miiller, Wojciech; Johnson, Mark R.; Richard, Didier; Rols, Stéphane; Madge, Jim; Evans, Ivana R.","Local Structure, Dynamics, and the Mechanisms of Oxide Ionic Conduction in Bi26Mo10O69","Chemistry of Materials","2012","24","23","4607","","10.1021/cm303202r","","","0.6889","MoKα","","0.0707","0.0638","","0.1314","0.1309","0.1297","","","","","","0.9348","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001711","9.721","0.0001","9.721","0.0001","7.1867","0.0001","90","","90","","120","","588.142","0.012","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.33 O26 Si6 -","- La9.3336 O26 Si6 -","- La9.3336 O26 Si6 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Oyabu, Masayuki; Urushihara, Daisuke; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Apatite-Type Lanthanum Silicate with Excess Oxide Ions","Chemistry of Materials","2012","24","23","4623","","10.1021/cm3034643","","","0.71073","MoKα","","0.0145","0.0126","","","0.0186","0.0192","","","","1.26","1.26","1.24","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001712","9.7136","0.0001","9.7136","0.0001","7.1814","0.0001","90","","90","","120","","586.814","0.012","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.5 O26.26 Si6 -","- La9.5044 O26.2568 Si6 -","- La9.5044 O26.2568 Si6 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Oyabu, Masayuki; Urushihara, Daisuke; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Apatite-Type Lanthanum Silicate with Excess Oxide Ions","Chemistry of Materials","2012","24","23","4623","","10.1021/cm3034643","","","0.71073","MoKα","","0.0412","0.0204","","","0.0202","0.0226","","","","1.09","1.09","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001713","27.282","0.0009","17.7669","0.0006","18.6716","0.0006","90","","96.77","0.003","90","","8987.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 N2 S4 Sn -","- C28 H42 N2 S4 Sn -","- C336 H504 N24 S48 Sn12 -","12","1.5","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0447","0.0339","","","0.0821","0.0857","","","","","","1.054","","","","has coordinates","218803","2020-10-21","18:00:00",""
"4001714","21.936","0.003","7.164","0.0012","21.873","0.002","90","","127.452","0.009","90","","2728.8","0.7","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H42 N2 S4 Sn -","- C20 H42 N2 S4 Sn -","- C80 H168 N8 S16 Sn4 -","4","0.5","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0715","0.0378","","","0.0601","0.0647","","","","","","0.763","","","","has coordinates","218803","2020-10-21","18:00:00",""
"4001715","20.345","0.005","9.597","0.005","34.35","0.005","90","0.005","91.27","0.005","90","0.005","6705","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H51 N2 S4 Sn -","- C26 H54 N2 S4 Sn -","- C208 H432 N16 S32 Sn8 -","8","2","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0482","0.0318","","","0.0755","0.0927","","","","","","1.016","","","","has coordinates","218803","2020-10-21","18:00:00",""
"4001716","9.629","0.0019","9.9","0.002","12.559","0.003","74.57","0.03","84.4","0.03","62.82","0.03","1026.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 N2 O2 S4 -","- C48 H50 N2 O2 S4 -","- C48 H50 N2 O2 S4 -","1","0.5","","Cai, Zhengxu; Guo, Yunlong; Yang, Sifen; Peng, Qian; Luo, Hewei; Liu, Zitong; Zhang, Guanxin; Liu, Yunqi; Zhang, Deqing","New Donor‒Acceptor‒Donor Molecules with Pechmann Dye as the Core Moiety for Solution-Processed Good-Performance Organic Field-Effect Transistors","Chemistry of Materials","2013","25","3","471","","10.1021/cm303793g","","","0.71073","MoKα","","0.1088","0.0891","","","0.2173","0.2348","","","","","","1.112","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001717","9.5525","0.0019","9.7452","0.0019","12.66","0.003","73.02","0.03","83.17","0.03","63.39","0.03","1007.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 N2 O4 S2 -","- C48 H50 N2 O4 S2 -","- C48 H50 N2 O4 S2 -","1","0.5","","Cai, Zhengxu; Guo, Yunlong; Yang, Sifen; Peng, Qian; Luo, Hewei; Liu, Zitong; Zhang, Guanxin; Liu, Yunqi; Zhang, Deqing","New Donor‒Acceptor‒Donor Molecules with Pechmann Dye as the Core Moiety for Solution-Processed Good-Performance Organic Field-Effect Transistors","Chemistry of Materials","2013","25","3","471","","10.1021/cm303793g","","","0.71073","MoKα","","0.1126","0.0959","","","0.225","0.2393","","","","","","1.124","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001718","8.188","0.0008","7.676","0.0007","8.7944","0.0009","90","","110.57","0.008","90","","517.5","0.09","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Al9 K O14 -","- Al9 K O14 -","- Al18 K2 O28 -","2","0.5","","Lazic, Biljana; Krüger, Hannes; Kaindl, Reinhard; Perfler, Lukas; Kremenović, Aleksandar; Cvetković, Vladica; Withers, Ray L.","Superstructure of Mullite-type KAl9O14","Chemistry of Materials","2013","25","3","496","","10.1021/cm3038476","","","0.71073","MoKα","","0.033","0.0296","","","0.0395","0.04","","","","2.94","2.94","2.83","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001754","11.751","0.002","6.8398","0.0012","18.669","0.003","90","","95.385","0.002","90","","1493.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Co N4 O14 S2 -","- C22 H36 Co N4 O14 S2 -","- C44 H72 Co2 N8 O28 S4 -","2","0.5","","Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J.","A Cationic Metal‒Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping","Chemistry of Materials","2013","25","5","647","","10.1021/cm302585r","","","0.71073","MoKα","","0.072","0.0511","","","0.1292","0.1443","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001755","11.7309","0.0015","6.8571","0.0009","18.701","0.002","90","","95.331","0.002","90","","1497.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 N2 O7 S Zn0.5 -","- C11 H18 N2 O7 S Zn0.5 -","- C44 H72 N8 O28 S4 Zn2 -","4","1","","Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J.","A Cationic Metal‒Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping","Chemistry of Materials","2013","25","5","647","","10.1021/cm302585r","","","0.71073","MoKα","","0.041","0.0334","","","0.0894","0.0952","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001756","16.666","0.002","16.666","0.002","7.0012","0.0014","90","","90","","120","","1684.1","0.4","173","2","173","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C15 H16 N2 Ni O6 -","- C15 H15 N2 Ni O6 -","- C45 H45 N6 Ni3 O18 -","3","0.25","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.0975","0.0866","","","0.2182","0.2362","","","","","","1.081","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001757","16.586","0.005","16.586","0.005","18.124","0.007","90","","90","","120","","4318","2","173","2","173","2","","","","","","","","5","P 3","P 3","143","","","","- C31.67 H31.67 N4 Ni2 O12.67 -","- C31.6 H28.4 N4 Ni2 O12.6 -","- C94.8 H85.2 N12 Ni6 O37.8 -","3","1","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.2403","0.1172","","","0.2531","0.3168","","","","","","0.877","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001758","16.634","0.002","16.634","0.002","18.194","0.004","90","","90","","120","","4359.7","1.2","173","2","173","2","","","","","","","","5","P 3","P 3","143","","","","- C34 H28 N4 Ni2 O12 -","- C34 H26 N4 Ni2 O12 -","- C102 H78 N12 Ni6 O36 -","3","1","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.1403","0.0945","","","0.2337","0.27","","","","","","0.959","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001759","10.498797","0.000034","14.91631","0.00005","8.846944","0.000032","90","","106.057","0.0002","90","","1331.41","0.008","298","","298","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C7 F N2 O24 Si12 -","- C7 F N2 O24 Si12 -","- C14 F2 N4 O48 Si24 -","2","0.5","","Rojas, Alex; San-Roman, María Luisa; Zicovich-Wilson, Claudio M.; Camblor, Miguel A.","Host‒Guest Stabilization of a Zeolite Strained Framework: In Situ Transformation of Zeolite MTW into the Less Dense and More Strained ITW","Chemistry of Materials","2013","25","5","729","","10.1021/cm303709e","powder diffraction","x-ray","1.55","","","","","","","","","0.06182","","2.13","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001760","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","100","","100","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.468 O26 Si6 -","- Nd9.468 O26 Si6 -","- Nd9.468 O26 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0222","0.0213","","","0.058","0.0588","","","","1.83","1.83","1.82","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001761","9.5567","","9.5567","","7.0563","","90","","90","","120","","558.115","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.772 O26 Si5.5 -","- Al0.4998 Nd9.772 O26 Si5.5002 -","- Al0.4998 Nd9.772 O26 Si5.5002 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0483","0.047","","","0.1217","0.1222","","","","3.27","3.27","3.22","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001762","9.5537","","9.5537","","7.0528","","90","","90","","120","","557.488","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al Nd9.782 O26 Si5 -","- Al1.0002 Nd9.78 O26 Si4.9998 -","- Al1.0002 Nd9.78 O26 Si4.9998 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0372","0.0364","","","0.107","0.1072","","","","3.22","3.22","3.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001763","9.5604","","9.5604","","7.0622","","90","","90","","120","","559.014","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al1.5 Nd9.924 O26 Si4.5 -","- Al1.5 Nd9.924 O26 Si4.5 -","- Al1.5 Nd9.924 O26 Si4.5 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0276","0.0272","","","0.0873","0.0875","","","","3.05","3.05","3.04","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001764","9.5567","0.0001","9.5567","0.0001","7.0189","0.0001","90","","90","","120","","555.157","0.011","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.348 O26 Si6 -","- Nd9.348 O26 Si6 -","- Nd9.348 O26 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71073","MoKα","","0.0259","0.0253","","","0.0699","0.0702","","","","1.87","1.87","1.86","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001765","9.5516","0.0002","9.5516","0.0002","7.0288","0.0002","90","","90","","120","","555.35","0.02","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.508 O26 Si5.5 -","- Al0.5004 Nd9.508 O26 Si5.4996 -","- Al0.5004 Nd9.508 O26 Si5.4996 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71073","MoKα","","0.0233","0.0221","","","0.0703","0.0707","","","","2.32","2.32","2.3","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001766","8.771","0.009","15.632","0.017","17.623","0.02","71.72","0.02","86.96","0.02","86.73","0.03","2289","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 Cl14 Fe -","- C39 H27 Cl14 Fe -","- C78 H54 Cl28 Fe2 -","2","1","","Guasch, Judith; Grisanti, Luca; Jung, Stefan; Morales, Dayana; D’Avino, Gabriele; Souto, Manuel; Fontrodona, Xavier; Painelli, Anna; Renz, Franz; Ratera, Imma; Veciana, Jaume","Bistability of Fc-PTM-Based Dyads: The Role of the Donor Strength","Chemistry of Materials","2013","25","5","808","","10.1021/cm400147p","","","0.71073","MoKα","","0.33","0.1698","","","0.3785","0.4274","","","","","","0.997","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001767","8.33406","0.00004","8.33406","0.00004","8.33406","0.00004","90","","90","","90","","578.855","0.005","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga2 O4 Zn -","- Ga2 O4 Zn -","- Ga16 O32 Zn8 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0094","0.0094","","0.0172","0.0172","","","","2.23","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001768","8.33665","0.00005","8.33665","0.00005","8.33665","0.00005","90","","90","","90","","579.395","0.006","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.8 Ge0.1 O4 Zn1.1 -","- Ga1.8 Ge0.1 O4 Zn1.1 -","- Ga14.4 Ge0.8 O32 Zn8.8 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2255","","","0.0149","0.0149","","0.0246","0.0245","","","","3.02","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001769","8.34115","0.00004","8.34115","0.00004","8.34115","0.00004","90","","90","","90","","580.334","0.005","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.5 Ge0.25 O4 Zn1.25 -","- Ga1.4999 Ge0.251 O4 Zn1.25 -","- Ga11.9992 Ge2.008 O32 Zn10 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0101","0.0101","","0.0189","0.0189","","","","2.33","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001770","8.35049","0.00006","8.35049","0.00006","8.35049","0.00006","90","","90","","90","","582.285","0.007","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga Ge0.5 O4 Zn1.5 -","- Ga Ge0.5 O4 Zn1.5 -","- Ga8 Ge4 O32 Zn12 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0108","0.0108","","0.0185","0.0185","","","","2.94","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001771","11.5128","0.0002","11.5128","0.0002","8.9087","0.0002","90","","90","","90","","1180.8","0.04","298","2","298","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C4 H8 Dy K O12 -","- C4 H8 Dy K O12 -","- C16 H32 Dy4 K4 O48 -","4","0.125","","Mohapatra, Sudip; Rajeswaran, Bharath; Chakraborty, Anindita; Sundaresan, A.; Maji, Tapas Kumar","Bimodal Magneto-Luminescent Dysprosium (DyIII)-Potassium (KI)-Oxalate Framework: Magnetic Switchability with High Anisotropic Barrier and Solvent Sensing","Chemistry of Materials","2013","25","9","1673","","10.1021/cm400116h","","","0.71073","MoKα","","0.0205","0.0193","","","0.0405","0.0415","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001772","13.0357","0.0007","13.035","0.0007","9.16771","0.00019","90","","90","","90","","1557.78","0.12","298","","","","","","","","","","","4","P c c 2","P 2 -2c","27","","","","- Al6 Ca4 O16 S -","- Al6 Ca4 O16 S -","- Al24 Ca16 O64 S4 -","4","1","","Cuesta, Ana; De la Torre, Angeles G.; Losilla, Enrique R.; Peterson, Vanessa K.; Rejmak, Pawel; Ayuela, Andrés; Frontera, Carlos; Aranda, Miguel A. G.","Structure, Atomistic Simulations, and Phase Transition of Stoichiometric Yeelimite","Chemistry of Materials","2013","25","9","1680","","10.1021/cm400129z","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","250899","2020-10-21","18:00:00",""
"4001773","6.4351","0.0018","13.119","0.004","14.261","0.005","83.81","0.02","88.486","0.017","83.745","0.016","1189.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,3-bis(tert-butyltelluro)propane-bis(trichlorogallium(III))","","- C11 H24 Cl6 Ga2 Te2 -","- C11 H24 Cl6 Ga2 Te2 -","- C22 H48 Cl12 Ga4 Te4 -","2","1","","George, Kathryn; de Groot, C. H. (Kees); Gurnani, Chitra; Hector, Andrew L.; Huang, Ruomeng; Jura, Marek; Levason, William; Reid, Gillian","Telluroether and Selenoether Complexes as Single Source Reagents for Low Pressure Chemical Vapor Deposition of Crystalline Ga2Te3and Ga2Se3Thin Films","Chemistry of Materials","2013","25","9","1829","","10.1021/cm400382j","","","0.71073","MoKα","","0.0946","0.0697","","","0.0983","0.1084","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001774","18.6563","0.0002","18.6563","0.0002","18.6563","0.0002","90","","90","","90","","6493.47","0.12","123","2","123","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","Lithium Silicide","","","- Li17 Si4 -","- Li17 Si4 -","- Li340 Si80 -","20","0.208333","","Zeilinger, Michael; Benson, Daryn; Häussermann, Ulrich; Fässler, Thomas F.","Single Crystal Growth and Thermodynamic Stability of Li17Si4","Chemistry of Materials","2013","25","9","1960","","10.1021/cm400612k","","","0.71073","MoKα","","0.0284","0.0207","","","0.0352","0.0369","","","","","","1.061","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001775","18.7353","0.0003","18.7353","0.0003","18.7353","0.0003","90","","90","","90","","6576.31","0.18","298","2","298","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","Lithium Silicide","","","- Li17 Si4 -","- Li17 Si4 -","- Li340 Si80 -","20","0.208333","","Zeilinger, Michael; Benson, Daryn; Häussermann, Ulrich; Fässler, Thomas F.","Single Crystal Growth and Thermodynamic Stability of Li17Si4","Chemistry of Materials","2013","25","9","1960","","10.1021/cm400612k","","","0.71073","MoKα","","0.0205","0.0203","","","0.0549","0.055","","","","","","1.255","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001776","11.708","0.002","11.712","0.002","23.051","0.005","90","","97.28","0.03","90","","3135.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd2 Cs2 In2 Se6 -","- Cd2 Cs2 In2 Se6 -","- Cd16 Cs16 In16 Se48 -","8","1","","Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection","Chemistry of Materials","2013","25","10","2089","","10.1021/cm400634v","","","0.71073","MoKα","","0.0903","0.0496","","","0.0777","0.0882","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001777","12.523","0.003","12.517","0.003","24.441","0.005","90","","97.38","0.03","90","","3799.4","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd2 Cs2 In2 Te6 -","- Cd2 Cs2 In2 Te6 -","- Cd16 Cs16 In16 Te48 -","8","1","","Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection","Chemistry of Materials","2013","25","10","2089","","10.1021/cm400634v","","","0.71073","MoKα","","0.0762","0.0434","","","0.0991","0.1105","","","","","","0.986","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001778","3.6749","0.0004","3.6749","0.0004","16.827","0.004","90","","90","","120","","196.8","0.06","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K1.316 Mg0.658 S4 Sn1.342 -","- K1.32 Mg0.66 S4 Sn1.34 -","- K1.32 Mg0.66 S4 Sn1.34 -","1","0.0416667","","Mertz, Joshua L.; Fard, Zohreh Hassanzadeh; Malliakas, Christos D.; Manos, Manolis J.; Kanatzidis, Mercouri G.","Selective Removal of Cs+, Sr2+, and Ni2+by K2xMgxSn3‒xS6(x= 0.5‒1) (KMS-2) Relevant to Nuclear Waste Remediation","Chemistry of Materials","2013","25","10","2116","","10.1021/cm400699r","","","0.4428","synchrotron","","0.0557","0.0437","","","0.1198","0.123","","","","2.51","2.51","2.4","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001779","9.7094","0.0001","9.7094","0.0001","7.1816","0.0001","90","","90","","120","","586.323","0.012","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.5 O26 Si5.87 -","- La9.5024 O26 Si5.8728 -","- La9.5024 O26 Si5.8728 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Hara, Shinji; Oyabu, Masayuki; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Si-Deficient Apatite-Type Lanthanum Silicate","Chemistry of Materials","2013","25","10","2154","","10.1021/cm400892p","","","0.71073","MoKα","","0.0267","0.0156","","","0.0173","0.0185","","","","1.04","1.04","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001780","12.132","0.0002","6.0606","0.0001","8.0956","0.0001","90","","90","","90","","595.247","0.016","","","","","","","","","","","","4","P b 21 m","P -2 -2b","26","","","","- Ba2 Fe O5.5 Y -","- Ba2 Fe O5.5 Y -","- Ba8 Fe4 O22 Y4 -","4","1","","Luo, Kun; Johnson, Roger D.; Tran, Thao T.; Halasyamani, P. Shiv; Radaelli, Paolo G.; Hayward, Michael A.","Ba2YFeO5.5: A Ferromagnetic Pyroelectric Phase Prepared by Topochemical Oxidation.","Chemistry of Materials","2013","25","9","1800","","10.1021/cm400364y","","","","","","","","","","","","","","","","","","","","","has coordinates","176427","2020-10-21","18:00:00",""
"4001781","14.931","0.003","8.2217","0.0016","6.5989","0.0013","90","","90","","90","","810.1","0.3","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li4 Se4 Sn -","- Li4 Se4 Sn -","- Li16 Se16 Sn4 -","4","0.5","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0517","0.049","","","0.1367","0.139","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001782","12.522","0.003","7.2137","0.0014","7.7692","0.0016","90","","120.96","0.03","90","","601.8","0.3","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Li2 Se3 Sn -","- Li2 Se3 Sn -","- Li8 Se12 Sn4 -","4","1","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0623","0.0623","","","0.1634","0.1634","","","","","","1.117","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001783","12.84","0.003","12.93","0.003","13.274","0.003","90","","90","","90","","2203.8","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Li4 O13 Se4 Sn -","- Li4 O13 Se4 Sn -","- Li16 O52 Se16 Sn4 -","4","1","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0593","0.054","","","0.0882","0.0893","","","","","","1.331","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001784","7.2602","0.0015","9.5887","0.0019","10.496","0.002","77.46","0.03","71.1","0.03","74","0.03","657.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- H28 Li4 O14 Se6 Sn2 -","- H28 Li4 O14 Se6 Sn2 -","- H28 Li4 O14 Se6 Sn2 -","1","0.5","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0234","0.0213","","","0.0527","0.0536","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001785","13.73","0.0019","13.73","0.0019","11.9","0.002","90","","90","","90","","2243.3","0.6","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C16 H62 Li4 O16 Se4 Sn -","- C16 H64 Li4 O16 Se4 Sn -","- C32 H128 Li8 O32 Se8 Sn2 -","2","0.25","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0383","0.0347","","","0.0846","0.086","","","","","","1.003","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001786","8.98593","0.00011","6.73577","0.00005","5.15998","0.00004","90","","90.1225","0.0012","90","","312.318","0.005","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","sidorenkite","","","- C Mn Na3 O7 P -","- C Mn Na3 O7 P -","- C2 Mn2 Na6 O14 P2 -","2","0.5","","Chen, Hailong; Hao, Qing; Zivkovic, Olivera; Hautier, Geoffroy; Du, Lin-Shu; Tang, Yuanzhi; Hu, Yan-Yan; Ma, Xiaohua; Grey, Clare P.; Ceder, Gerbrand","Sidorenkite (Na3MnPO4CO3): A New Intercalation Cathode Material for Na-Ion Batteries","Chemistry of Materials","2013","25","14","2777","","10.1021/cm400805q","powder diffraction","","0.775192","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001787","18.4852","0.0005","18.4852","0.0005","18.4852","0.0005","90","","90","","90","","6316.4","0.3","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Cu Mn7 N48 O5 -","- C36 H12 Cl1.5 Cu6.12 Mn0.6 N48 O6 -","- C72 H24 Cl3 Cu12.24 Mn1.2 N96 O12 -","2","0.0416667","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.71073","MoKα","","0.1441","0.1291","","","0.3587","0.4042","","","","","","1.883","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001788","19.0218","0.0005","19.0218","0.0005","19.0218","0.0005","90","","90","","90","","6882.6","0.3","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Fe Mn7 N48 O5 -","- C18 H6 Cl0.75 Fe0.09 Mn2.91 N24 O3 -","- C72 H24 Cl3 Fe0.36 Mn11.64 N96 O12 -","4","0.0833333","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.7749","","","0.1485","0.1384","","","0.3635","0.3865","","","","","","3.309","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001789","18.9153","0.0005","18.9153","0.0005","18.9153","0.0005","90","","90","","90","","6767.7","0.3","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Mn7 N48 O5 -","- C36 H12 Cl1.5 Mn6.882 N48 O6 -","- C72 H24 Cl3 Mn13.764 N96 O12 -","2","0.0416667","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.7749","","","0.1676","0.1551","","","0.3978","0.428","","","","","","1.912","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001790","18.8285","0.0004","18.8285","0.0004","18.8285","0.0004","90","","90","","90","","6674.9","0.2","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Mn7 N48 O5 Zn -","- C18 H6 Cl0.75 Mn0.75 N24 O3 Zn2.61 -","- C72 H24 Cl3 Mn3 N96 O12 Zn10.44 -","4","0.0833333","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.71073","MoKα","","0.2086","0.1991","","","0.494","0.5026","","","","","","4.488","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001791","12.32","0.01","12.32","0.01","3.907","0.001","90","","90","","90","","593","0.7","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- K5.06 Nb4.724 O30 Ta6.264 -","- K5.06 Nb4.724 O30 Ta6.264 -","- K5.06 Nb4.724 O30 Ta6.264 -","1","0.0625","","Simon, Q.; Dorcet, V.; Boullay, P.; Demange, V.; Députier, S.; Bouquet, V.; Guilloux-Viry, M.","Nanorods of Potassium Tantalum Niobate Tetragonal Tungsten Bronze Phase Grown by Pulsed Laser Deposition","Chemistry of Materials","2013","25","14","2793","","10.1021/cm401018k","","","0.0196","electron","","0.2851","0.2849","","","0.3203","0.3203","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001792","9.1758","0.0013","9.1758","0.0013","9.5879","0.0019","90","","90","","90","","807.3","0.2","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- I4 S Tl6 -","- I4 S Tl6 -","- I8 S2 Tl12 -","2","0.125","","Nguyen, Sandy L.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Zhao, Li-Dong; Sebastian, Maria; Jin, Hosub; Li, Hao; Johnsen, Simon; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Photoconductivity in Tl6SI4: A Novel Semiconductor for Hard Radiation Detection","Chemistry of Materials","2013","25","14","2868","","10.1021/cm401406j","","","0.71073","MoKα","","0.0584","0.048","","","0.0891","0.0912","","","","","","1.388","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001793","8.007","0.003","15.91","0.005","13.916","0.005","90","","101.318","0.004","90","","1738.3","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 F Lu Na4 O8 -","- C3 F Lu Na4 O9 -","- C24 F8 Lu8 Na32 O72 -","8","2","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0201","0.019","","","0.0367","0.0371","","","","","","1.008","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4001794","7.073","0.006","29.77","0.02","6.909","0.007","90","","111.924","0.015","90","","1350","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 F2 Lu Na3 O6 -","- C2 F2 Lu Na3 O6 -","- C16 F16 Lu8 Na24 O48 -","8","2","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0439","0.0355","","","0.0967","0.1054","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001795","7.5879","0.0003","7.5879","0.0003","11.5313","0.0009","90","","90","","90","","663.93","0.06","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C4 H4 Lu Na5 O14 -","- C4 H4 Lu Na5 O14 -","- C8 H8 Lu2 Na10 O28 -","2","0.25","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0145","0.0139","","","0.0307","0.0309","","","","","","1.302","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001796","17.534","0.004","6.1084","0.0014","11.285","0.003","90","","95.429","0.016","90","","1203.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 F Lu Na2 O6 -","- C2 F Lu Na2 O6 -","- C16 F8 Lu8 Na16 O48 -","8","1","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0305","0.0259","","","0.0655","0.0928","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001797","38.3106","","7.72437","","38.2799","","90","","90","","90","","11328","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","","","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","1","0.5","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001798","38.3106","","38.279869","","7.724372","","90","","90","","90","","11328","","","","","","","","","","","","","4","P 2 m m","P -2 2","25","","","","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","1","0.25","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001799","12.0872","0.0007","24.8979","0.0008","21.0015","0.001","90","","90","","90","","6320.3","0.5","293","","295","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Ba4 Nb2 O9 -","- Ba4 Nb2 O9 -","- Ba96 Nb48 O216 -","24","6","","Dunstan, Matthew T.; Blanc, Frédéric; Avdeev, Maxim; McIntyre, Garry J.; Grey, Clare P.; Ling, Chris D.","Long-Range-Ordered Coexistence of 4-, 5-, and 6-Coordinate Niobium in the Mixed Ionic-Electronic Conductor γ-Ba4Nb2O9","Chemistry of Materials","2013","25","15","3154","","10.1021/cm4014656","","neutron","1.2467","Neutron","","0.0822","0.0669","","","0.0683","0.0696","","","","3.75","3.75","3.48","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001800","25.9981","","26.2767","","26.5511","","90","","90","","90","","18138.2","","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C288 H192 Cu48 I108.75 O240 -","- C288 H192 Cu48 I108.75 O240 -","- C288 H192 Cu48 I108.75 O240 -","1","1","","Sava, Dorina F.; Chapman, Karena W.; Rodriguez, Mark A.; Greathouse, Jeffery A.; Crozier, Paul S.; Zhao, Haiyan; Chupas, Peter J.; Nenoff, Tina M.","Competitive I2Sorption by Cu-BTC from Humid Gas Streams","Chemistry of Materials","2013","25","13","2591","","10.1021/cm401762g","","","0.2128","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001801","3.831048","0.000005","3.827977","0.000004","7.724355","0.000008","90","","90","","90","","113.279","0.0002","293","","293","","","","","","","","","4","Pmmm(\a,1/2,0)000(1/2,\b,0)000","","","","","","- Li0.15 Nd0.617 O3 Ti -","","","2","","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","powder diffraction","x-ray","0.3962","","","0.0517","0.045","","0.0235","0.0232","","","","2.02","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001802","6.44903","0.00005","9.48247","0.00008","10.99331","0.00008","64.8468","0.0004","86.2397","0.0005","73.1333","0.0005","581.05","0.008","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Fe2 Na4 O14 P4 -","- Fe2 Na4 O14 P4 -","- Fe4 Na7.99999 O28 P8 -","2","1","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001803","6.3297","0.0013","9.4646","0.0019","11.1","0.0023","62.6109","0.0006","83.29","0.0007","72.2418","0.0007","562.1","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Fe4 Na4 O28 P8 -","- Fe4 Na4 O28 P8 -","- Fe4 Na4 O28 P8 -","1","0.5","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001804","8.9903","0.0008","6.8681","0.0006","5.0441","0.0005","90","","90","","90","","311.45","0.05","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Na O4 P -","- Fe Na O4 P -","- Fe4 Na4 O16 P4 -","4","0.5","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001805","7.6635","0.0002","12.7242","0.0005","17.7724","0.0006","90","","90","","90","","1733.02","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Mg Se8 -","- Cs2 Ge3 Mg Se8 -","- Cs8 Ge12 Mg4 Se32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0719","0.0467","","","0.0771","0.0837","","","","","","1.026","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001806","7.2624","0.0004","16.9801","0.0009","12.6231","0.0008","90","","97.706","0.005","90","","1542.58","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs2 Ge3 S8 Zn -","- Cs2 Ge3 S8 Zn -","- Cs8 Ge12 S32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0514","0.0428","","","0.1044","0.1085","","","","","","1.059","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001807","7.5756","0.0005","12.6191","0.001","17.6543","0.0011","90","","90","","90","","1687.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Se8 Zn -","- Cs2 Ge3 Se8 Zn -","- Cs8 Ge12 Se32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.119","0.088","","","0.2048","0.2238","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001808","8.1345","0.0006","13.1145","0.0013","18.8263","0.0019","90","","90","","90","","2008.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Te8 Zn -","- Cs2 Ge3 Te8 Zn -","- Cs8 Ge12 Te32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.1023","0.0614","","","0.1505","0.1711","","","","","","0.9","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001809","7.4192","0.0002","12.5099","0.0004","17.0843","0.0006","90","","90","","90","","1585.65","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Ge3 S8 -","- Cd Cs2 Ge3 S8 -","- Cd4 Cs8 Ge12 S32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0415","0.0318","","","0.0529","0.0551","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001810","7.7048","0.0003","12.6822","0.0006","17.8208","0.0007","90","","90","","90","","1741.34","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Ge3 Se8 -","- Cd Cs2 Ge3 Se8 -","- Cd4 Cs8 Ge12 Se32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0622","0.0502","","","0.1045","0.1088","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001811","7.9055","0.0003","12.7661","0.0005","18.474","0.0006","90","","90","","90","","1864.44","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Mg Se8 Sn3 -","- Cs2 Mg Se8 Sn3 -","- Cs8 Mg4 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0643","0.0489","","","0.0991","0.104","","","","","","1.041","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001812","7.8146","0.0003","12.6534","0.0004","18.3747","0.0005","90","","90","","90","","1816.91","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Se8 Sn3 Zn -","- Cs2 Se8 Sn3 Zn -","- Cs8 Se32 Sn12 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0631","0.047","","","0.0901","0.0959","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001813","7.9335","0.0004","12.7336","0.0009","18.5387","0.001","90","","90","","90","","1872.82","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Se8 Sn3 -","- Cd Cs2 Se8 Sn3 -","- Cd4 Cs8 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0857","0.0621","","","0.1267","0.137","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001814","7.6672","0.0004","12.3405","0.001","17.9011","0.0012","90","","90","","90","","1693.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Hg S8 Sn3 -","- Cs2 Hg S8 Sn3 -","- Cs8 Hg4 S32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0928","0.0844","","","0.1996","0.2075","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001815","7.9196","0.0003","12.6657","0.0007","18.5375","0.0009","90","","90","","90","","1859.45","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Hg Se8 Sn3 -","- Cs2 Hg Se8 Sn3 -","- Cs8 Hg4 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0649","0.0498","","","0.1047","0.1122","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001816","13.527","0.004","13.527","0.004","4.1422","0.0012","90","","90","","90","","757.9","0.4","298","2","298","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.75 Dy3 Fe Mg0.25 Si2 -","- Al3.75 Dy2.976 Fe Mg0.25 Si2 -","- Al15 Dy11.904 Fe4 Mg Si8 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0155","0.0131","","","0.022","0.0223","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001817","13.562","0.004","13.562","0.004","4.1201","0.0013","90","","90","","90","","757.8","0.4","298","2","298","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.5 Er3 Fe Ge2 Mg0.5 -","- Al3.5 Er2.9648 Fe Ge2 Mg0.5 -","- Al14 Er11.8592 Fe4 Ge8 Mg2 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0156","0.0152","","","0.0292","0.0293","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001818","13.6799","0.0011","13.6799","0.0011","4.1507","0.0003","90","","90","","90","","776.76","0.1","296","2","296","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.5 Fe Ge2 Mg0.5 Y3 -","- Al3.5 Fe Ge2 Mg0.5 Y2.9788 -","- Al14 Fe4 Ge8 Mg2 Y11.9152 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0231","0.0187","","","0.0393","0.0405","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001819","13.3479","0.0009","13.3479","0.0009","4.0996","0.0003","90","","90","","90","","730.41","0.09","296","2","296","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.72 Fe Mg0.28 Si2 Yb2.77 -","- Al3.5 Fe Mg0.5 Si2 Yb2.714 -","- Al14 Fe4 Mg2 Si8 Yb10.856 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0182","0.0172","","","0.0385","0.0388","","","","","","1.175","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001820","11.433","0.008","11.433","0.008","4.04","0.003","90","","90","","90","","528.1","0.7","296","2","296","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Al17 Fe4 Si6 Yb5 -","- Al17 Fe4 Si6 Yb5 -","- Al17 Fe4 Si6 Yb5 -","1","0.0625","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.019","0.017","","","0.0378","0.0383","","","","","","1.159","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001821","7.1634","0.0005","7.3956","0.0005","19.2069","0.0012","93.698","0.004","90.474","0.004","105.266","0.004","979.25","0.11","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 B10 N4 O12 -","- C30 H48 B10 N4 O12 -","- C30 H48 B10 N4 O12 -","1","0.5","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","0.71073","MoKα","","0.0982","0.052","","","0.1294","0.1451","","","","","","0.955","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001822","7.0603","0.0003","10.4871","0.0005","10.8766","0.0005","111.528","0.003","93.925","0.003","103.985","0.003","715.84","0.06","100","2","100.04","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 B10 O8 -","- C26 H36 B10 O8 -","- C26 H36 B10 O8 -","1","0.5","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","0.71073","MoKα","","0.0577","0.0484","","","0.1329","0.1415","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001823","18.6953","0.0007","18.6953","0.0007","39.1379","0.0017","90","","90","","120","","11846.6","0.8","100","2","100.02","","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C9 H10 B5 Cu O5 -","- C9 H10 B5 Cu O5 -","- C162 H180 B90 Cu18 O90 -","18","","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","1.54178","CuKα","","0.1267","0.1173","","","0.3735","0.3904","","","","","","1.764","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001824","12.0769","0.0003","12.0769","0.0003","12.0769","0.0003","90","","90","","90","","1761.43","0.08","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cu2.77 K8 Sn43.23 -","- Cu2.772 K8 Sn43.228 -","- Cu2.772 K8 Sn43.228 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0171","0.0155","","","0.0319","0.0325","","","","","","1.157","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001825","12.0868","0.0008","12.0868","0.0008","12.0868","0.0008","90","","90","","90","","1765.8","0.2","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cu2.76 Rb8 Sn43.24 -","- Cu2.76 Rb8 Sn43.24 -","- Cu2.76 Rb8 Sn43.24 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0178","0.0145","","","0.0324","0.0337","","","","","","1.083","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001826","12.1234","0.0006","12.1234","0.0006","12.1234","0.0006","90","","90","","90","","1781.86","0.15","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Cu2.69 Sn43.31 -","- Cs8 Cu2.682 Sn43.318 -","- Cs8 Cu2.682 Sn43.318 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0153","0.014","","","0.0285","0.029","","","","","","1.208","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001827","12.0671","0.0004","12.0671","0.0004","12.0671","0.0004","90","","90","","90","","1757.15","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- K8 Sn42.22 Zn3.78 -","- K8 Sn42.22 Zn3.78 -","- K8 Sn42.22 Zn3.78 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0166","0.0138","","","0.0268","0.0275","","","","","","1.315","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001828","12.0913","0.0005","12.0913","0.0005","12.0913","0.0005","90","","90","","90","","1767.74","0.13","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Rb8 Sn42.48 Zn3.52 -","- Rb8 Sn42.484 Zn3.516 -","- Rb8 Sn42.484 Zn3.516 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0269","0.0176","","","0.0278","0.0306","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001829","12.1239","0.0004","12.1239","0.0004","12.1239","0.0004","90","","90","","90","","1782.08","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Sn42.57 Zn3.43 -","- Cs8 Sn42.568 Zn3.432 -","- Cs8 Sn42.568 Zn3.432 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0106","0.0102","","","0.0212","0.0213","","","","","","1.279","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001830","14.4807","0.0004","4.55923","0.00011","20.7613","0.0006","90","","110.159","0.008","90","","1286.71","0.09","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O -","- C20 H12 O -","- C80 H48 O4 -","4","1","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","1.54187","CuKα","","","0.0568","","","","0.1394","","","","","","0.995","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001831","6.729","0.0003","26.7472","0.0012","7.7813","0.0004","90","","90","","90","","1400.49","0.11","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 Se -","- C20 H12 Se -","- C80 H48 Se4 -","4","0.5","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","0.71075","MoKα","","","0.0629","","","","0.1654","","","","","","1.124","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001832","6.9337","0.0017","26.576","0.007","7.5281","0.0018","90","","90","","90","","1387.2","0.6","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","0.5","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","0.71075","MoKα","","","0.0983","","","","0.2875","","","","","","0.992","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001833","12.8934","0.0003","15.642","0.0004","23.0349","0.0005","109.545","0.002","101.108","0.0018","96.454","0.002","4216.64","0.19","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C44.5 H36 B Cl Cu F4 N3 O P2 -","- C44.5 H36 B Cl Cu F4 N3 O P2 -","- C178 H144 B4 Cl4 Cu4 F16 N12 O4 P8 -","4","2","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","1.54184","CuKα","","0.0718","0.0626","","","0.1799","0.1917","","","","","","1.094","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001834","9.8109","0.0014","13.494","0.002","18.885","0.002","100.677","0.004","94.954","0.006","107.203","0.005","2320.3","0.5","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C45.5 H38 B Cl Cu F4 N3 O P2 -","- C45.5 H38 B Cl Cu F4 N3 O P2 -","- C91 H76 B2 Cl2 Cu2 F8 N6 O2 P4 -","2","1","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","0.71073","MoKα","","0.0957","0.0709","","","0.2025","0.2315","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001835","9.846","0.003","13.394","0.005","17.194","0.005","95.74","0.014","90.447","0.015","109.394","0.015","2126.1","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H34 B Cu F7 N3 O P2 -","- C45 H34 B Cu F7 N3 O P2 -","- C90 H68 B2 Cu2 F14 N6 O2 P4 -","2","1","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","0.71073","MoKα","","0.135","0.0852","","","0.2467","0.3435","","","","","","1.108","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001836","10.6322","0.0009","10.6322","0.0009","10.6322","0.0009","90","","90","","90","","1201.9","0.18","123","2","123","2","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","Lithium Silicide","","","- Li15 Si4 -","- Li15 Si4 -","- Li60 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0103","0.0103","","","0.0299","0.0299","","","","","","1.145","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001837","10.687","0.007","10.687","0.007","10.687","0.007","90","","90","","90","","1220.6","1.4","298","2","298","2","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","Lithium Silicide","","","- Li15 Si4 -","- Li15 Si4 -","- Li60 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0104","0.01","","","0.0267","0.027","","","","","","1.195","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001838","10.6172","0.0004","10.6172","0.0004","10.6172","0.0004","90","","90","","90","","1196.82","0.08","123","2","123","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","Al-doped Lithium Silicide","","","- Al0.63 Li14.37 Si4 -","- Al0.6333 Li14.3667 Si4 -","- Al2.5332 Li57.4668 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0065","0.0063","","","0.0165","0.0165","","","","","","1.299","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001839","10.664","0.0012","10.664","0.0012","10.664","0.0012","90","","90","","90","","1212.7","0.2","298","2","298","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","Al-doped Lithium Silicide","","","- Al0.59 Li14.41 Si4 -","- Al0.5904 Li14.4096 Si4 -","- Al2.3616 Li57.6384 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0129","0.0128","","","0.0314","0.0315","","","","","","1.307","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001840","6.8967","0.0007","6.8967","0.0007","17.166","0.002","90","","90","","90","","816.49","0.15","293","2","293","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Er H5 O10 S2 -","- Er H5 O10 S2 -","- Er4 H20 O40 S8 -","4","0.125","","Wickleder, Mathias S.","Synthesis, Crystal Structure, and Thermal Behavior of the Rare Earth Sulfates (H5O2)M(SO4)2(M = Ho, Er, Y)","Chemistry of Materials","1998","10","10","3212","","10.1021/cm980301w","","","0.71073","MoKα","","0.0126","0.0122","","0.0356","0.0353","","","","1.042","1.04","1.04","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4001841","8.608","0.003","10.221","0.004","13.297","0.005","97.85","0.03","96.79","0.03","113.64","0.04","1042.2","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 I2 N2 O2 -","- C44 H54 I2 N2 O2 -","- C44 H54 I2 N2 O2 -","1","0.5","","González, Lucía; Gimeno, Nélida; Tejedor, Rosa María; Polo, Víctor; Ros, M. Blanca; Uriel, Santiago; Serrano, José Luis","Halogen-Bonding Complexes Based on Bis(iodoethynyl)benzene Units: A New Versatile Route to Supramolecular Materials","Chemistry of Materials","2013","25","22","4503","","10.1021/cm401849f","","","0.71073","MoKα","","0.2913","0.1092","","","0.1476","0.2204","","","","","","0.952","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001842","7.728","0.003","9.453","0.004","14.8","0.005","75.71","0.03","84","0.03","66.93","0.04","963.9","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H54 I2 N2 O2 -","- C40 H54 I2 N2 O2 -","- C40 H54 I2 N2 O2 -","1","0.5","","González, Lucía; Gimeno, Nélida; Tejedor, Rosa María; Polo, Víctor; Ros, M. Blanca; Uriel, Santiago; Serrano, José Luis","Halogen-Bonding Complexes Based on Bis(iodoethynyl)benzene Units: A New Versatile Route to Supramolecular Materials","Chemistry of Materials","2013","25","22","4503","","10.1021/cm401849f","","","0.71073","MoKα","","0.2226","0.1115","","","0.1637","0.2118","","","","","","0.997","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001843","10.124","0.01","9.681","0.009","12.008","0.012","90","","106.047","0.013","90","","1131.1","1.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Ag2 N4 -","- C20 H38 Ag2 N4 -","- C40 H76 Ag4 N8 -","2","0.5","","Coyle, Jason P.; Gordon, Peter G.; Wells, Adam P.; Mandia, David J.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Se T.","Thermally Robust Gold and Silver Iminopyrrolidinates for Chemical Vapor Deposition of Metal Films","Chemistry of Materials","2013","25","22","4566","","10.1021/cm402658c","","","0.71073","MoKα","","0.0273","0.0235","","","0.0564","0.0588","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001844","10.1692","0.0014","9.7129","0.0013","12.0353","0.0017","90","","106.605","0.002","90","","1139.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Au2 N4 -","- C20 H38 Au2 N4 -","- C40 H76 Au4 N8 -","2","0.5","","Coyle, Jason P.; Gordon, Peter G.; Wells, Adam P.; Mandia, David J.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Se T.","Thermally Robust Gold and Silver Iminopyrrolidinates for Chemical Vapor Deposition of Metal Films","Chemistry of Materials","2013","25","22","4566","","10.1021/cm402658c","","","0.71073","MoKα","","0.0153","0.0141","","","0.0335","0.0343","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001845","10.336","0.0002","6.006","0.0003","4.6932","0.0005","90","","90","","90","","291.34","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0189","0.018","","","0.0472","0.0476","","","","1.69","1.69","1.68","","","","has coordinates","288070","2023-12-06","12:50:23",""
"4001846","10.336","0.0002","6.006","0.0003","4.6932","0.0005","90","","90","","90","","291.34","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li1.1 O4.126 P -","- Fe4 Li4.4 O16.504 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0189","0.0179","","","0.0472","0.0476","","","","1.7","1.7","1.68","","","","has coordinates","288070","2023-12-06","12:50:25",""
"4001847","10.3244","0.0002","6.0064","0.0003","4.6901","0.0005","90","","90","","90","","290.84","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0177","0.0153","","","0.0423","0.0432","","","","1.45","1.45","1.41","","","","has coordinates","288070","2023-12-06","12:50:26",""
"4001848","10.3244","0.0002","6.0064","0.0003","4.6901","0.0005","90","","90","","90","","290.84","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe1.004 Li O4.125 P -","- Fe4.016 Li4 O16.5 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0178","0.0154","","","0.0413","0.0421","","","","1.42","1.42","1.38","","","","has coordinates","288070","2023-12-06","12:50:26",""
"4001849","10.3165","0.001","6.0095","0.0021","4.6988","0.0007","90","","90","","90","","291.31","0.11","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium iron phosphate","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","neutron","","neutron","","0.046","0.046","","","0.125","0.125","","","","","","2.292","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001850","12.2332","0.0019","9.4949","0.0015","38.973","0.006","90","","94.17","0.02","90","","4514.8","1.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 N2 O4 -","- C52 H64 N2 O4 -","- C208 H256 N8 O16 -","4","1","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","","0.6889","synchrotron","","0.0764","0.0515","","","0.1239","0.1352","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4001851","24.021","0.004","4.8652","0.0009","28.577","0.005","90","","106.733","0.019","90","","3198.3","1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H92 N2 O6 -","- C72 H92 N2 O6 -","- C144 H184 N4 O12 -","2","0.5","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","","0.6889","Synchrotron","","0.0936","0.0713","","","0.1635","0.1767","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001852","8.8088","0.0013","16.589","0.003","17.178","0.003","117.735","0.017","95.132","0.018","97.491","0.017","2170.4","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C95 H120 Cl2 N2 O9 -","- C91 H108 Cl2 N2 O7 -","- C91 H108 Cl2 N2 O7 -","1","0.5","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","x-ray","0.6889","Synchrotron","","0.0824","0.061","","","0.1805","0.1943","","","","","","1.076","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001853","19.637","0.007","8.175","0.003","23.803","0.008","90","","112.222","0.004","90","","3537","2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H88 N2 O6 -","- C88 H80 N2 O5.4 -","- C176 H160 N4 O10.8 -","2","0.5","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","x-ray","0.6889","Synchrotron","","0.0751","0.0519","","","0.1337","0.1449","","","","","","1.038","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001854","4.5246","0.0002","21.9437","0.001","13.2001","0.0006","90","","90","","90","","1310.59","0.1","100","2","100","2","","","","","","","","2","C m c m","-C 2c 2","63","Lithium Silicide","","","- Li4.106 Si -","- Li4.10625 Si -","- Li65.7 Si16 -","16","1","","Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F.","Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si","Chemistry of Materials","2013","25","22","4623","","10.1021/cm4029885","","","0.71073","MoKα","","0.0171","0.012","","","0.0274","0.0294","","","","","","1.087","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001855","4.5467","0.0009","22.065","0.004","13.24","0.003","90","","90","","90","","1328.3","0.5","298","2","298","2","","","","","","","","2","C m c m","-C 2c 2","63","Lithium Silicide","","","- Li4.105 Si -","- Li4.1045 Si -","- Li65.672 Si16 -","16","1","","Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F.","Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si","Chemistry of Materials","2013","25","22","4623","","10.1021/cm4029885","","","0.71073","MoKα","","0.0213","0.0188","","","0.0311","0.0319","","","","","","1.206","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001856","18.8164","0.0001","18.8164","0.0001","18.8164","0.0001","90","","90","","90","","6662.08","0.06","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- B18 H6 O63 V12 Zn3 -","- B18 H6 O63 V12 Zn3 -","- B72 H24 O252 V48 Zn12 -","4","0.166667","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","1.5418","CuKα","","0.0451","0.0411","","","0.136","0.1404","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001857","32.7924","0.0001","32.7924","0.0001","28.322","0.0002","90","","90","","90","","30455.8","0.3","293","2","","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H36 B18 N6 O61 V12 Zn2 -","- C8 H36 B18 N6 O61 V12 Zn2 -","- C128 H576 B288 N96 O976 V192 Zn32 -","16","0.5","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.6889","synchrotron","","0.0368","0.036","","","0.1694","0.172","","","","","","1.099","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001858","18.9594","0.0004","18.5495","0.0003","19.4909","0.0004","90","","94.065","0.002","90","","6837.5","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B18 H6 O60 V12 -","- B18 H6 O60 V12 -","- B72 H24 O240 V48 -","4","0.5","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.0557","0.0401","","","0.1027","0.1083","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001859","22.0072","0.0006","22.0072","0.0006","11.2578","0.0004","90","","90","","120","","4721.9","0.2","373","2","373","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 B27 N18 O90 V18 -","- C18 B27 N18 O90 V18 -","- C36 B54 N36 O180 V36 -","2","0.111111","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","1.54184","CuKα","","0.0717","0.0661","","","0.1826","0.187","","","","","","1.142","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001860","18.9393","0.0002","18.9393","0.0002","18.9393","0.0002","90","","90","","90","","6793.47","0.12","298","2","298","2","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- B36 Ni6 O132 V24 -","- B36 Ni6 O132 V24 -","- B72 Ni12 O264 V48 -","2","0.0833333","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.1027","0.0675","","","0.1732","0.1918","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001861","18.9341","0.0003","18.9341","0.0003","18.9341","0.0003","90","","90","","90","","6787.88","0.19","298","2","298","2","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- B24 Mn4 O88 V16 -","- B24 Mn4 O88 V16 -","- B72 Mn12 O264 V48 -","3","0.125","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.0903","0.0684","","","0.1854","0.2008","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001863","28.715","0.004","8.5084","0.0013","25.367","0.004","90","","90","","90","","6197.6","1.6","293.15","","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Ba8 S15 Sn4 -","- Ba8 S15 Sn4 -","- Ba64 S120 Sn32 -","8","2","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","Ba8Sn4S15: A Strong Second Harmonic Generation Sulfide with Zero-Dimensional Crystal Structure","Chemistry of Materials","2014","26","2","1093","","10.1021/cm403369m","","","0.71073","MoKα","","0.0235","0.0221","","","0.042","0.0425","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001864","14.752","0.003","4.7121","0.001","17.372","0.003","90","","104.402","0.005","90","","1169.6","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N8 Ni -","- C32 H16 N8 Ni -","- C64 H32 N16 Ni2 -","2","0.5","","Takahashi, Yukihiro; Hayakawa, Kei; Takayama, Katsuya; Yokokura, Seiya; Harada, Jun; Hasegawa, Hiroyuki; Inabe, Tamotsu","Charge Conduction Properties at the Contact Interface between (Phthalocyaninato)nickel(II) and Electron Acceptor Single Crystals","Chemistry of Materials","2014","26","2","993","","10.1021/cm403033b","","","0.71075","MoKα","","","0.0504","","","","0.0875","","","","","","0.975","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001865","4.2387","0.0002","4.2387","0.0002","4.2387","0.0002","90","","90","","90","","76.155","0.006","300","2","300","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ga3 Ho Mn0.08 -","- Ga3 Ho Mn0.077 -","- Ga3 Ho Mn0.077 -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","","0.71073","MoKα","","0.0106","0.0106","","","0.0255","0.0255","","","","","","1.384","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001866","4.2516","0.0001","4.2516","0.0001","4.2516","0.0001","90","","90","","90","","76.852","0.003","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ga3 Ho Mn0.152 -","- Ga3 Ho Mn0.152 -","- Ga3 Ho Mn0.152 -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","x-ray","0.71073","MoKα","","0.0114","0.0114","","","0.0129","0.0129","","","","1.28","1.28","1.28","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001867","4.2149","0.001","4.2149","0.001","4.2149","0.001","90","","90","","90","","74.88","0.03","293","2","293","2","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Ga3 -","- Er Ga3 -","- Er Ga3 -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","","0.71073","MoKα","","0.0134","0.0134","","","0.036","0.036","","","","","","1.412","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001868","4.2303","0.0003","4.2303","0.0003","4.2303","0.0003","90","","90","","90","","75.703","0.009","300","2","300","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Er Ga3 Mn0.03 -","- Er Ga3 Mn0.041 -","- Er Ga3 Mn0.041 -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","","0.71073","MoKα","","0.0202","0.0202","","","0.0484","0.0484","","","","","","1.187","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001869","4.2351","0.0001","4.2351","0.0001","4.2351","0.0001","90","","90","","90","","75.961","0.003","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Er Ga3 Mn0.118 -","- Er Ga3 Mn0.118 -","- Er Ga3 Mn0.118 -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","x-ray","0.71073","MoKα","","0.0095","0.0095","","","0.0095","0.0095","","","","1.23","1.23","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001870","4.2027","0.001","4.2027","0.001","4.2027","0.001","90","","90","","90","","74.23","0.03","293","2","293","2","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ga3 Tm -","- Ga3 Tm -","- Ga3 Tm -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","","0.71073","MoKα","","0.0266","0.0266","","","0.0765","0.0765","","","","","","1.291","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001871","4.2085","0.0004","4.2085","0.0004","4.2085","0.0004","90","","90","","90","","74.539","0.012","300","2","300","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ga3 Mn0.05 Tm -","- Ga3 Mn0.049 Tm -","- Ga3 Mn0.049 Tm -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","","0.71073","MoKα","","0.0087","0.0087","","","0.0152","0.0152","","","","","","1.14","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001872","4.2195","","4.2195","","4.2195","","90","","90","","90","","75.125","","293","","293","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ga3 Mn0.095 Tm -","- Ga2.997 Mn0.095 Tm -","- Ga2.997 Mn0.095 Tm -","1","0.0208333","","Fulfer, Bradford W.; McAlpin, Jacob D.; Engelkemier, Joshua; McCandless, Gregory T.; Prestigiacomo, Joseph; Stadler, Shane; Fredrickson, Daniel C.; Chan, Julia Y.","Filling in the Holes: Structural and Magnetic Properties of the Chemical Pressure Stabilized LnMnxGa3(Ln = Ho‒Tm;x< 0.15)","Chemistry of Materials","2014","26","2","1170","","10.1021/cm4035424","","x-ray","0.71069","MoKα","","0.014","0.014","","","0.0133","0.0133","","","","1.15","1.15","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001873","13.7665","0.0014","13.8428","0.0014","21.58","0.002","75.2984","0.0015","80.5562","0.0015","60.6775","0.0014","3464.3","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H111 Cl2 O16 Si4 Y -","- C49 H111 Cl2 O16 Si4 Y -","- C98 H222 Cl4 O32 Si8 Y2 -","2","1","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MOKα","","0.0468","0.0358","","","0.0898","0.0947","","","","","","0.986","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001874","19.12","0.002","13.9438","0.0017","23.307","0.003","90","","106.467","0.0017","90","","5958.9","1.2","296","2","296.15","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H93 N2 O12 Si3 Yb -","- C48 H93 N2 O12 Si3 Yb -","- C192 H372 N8 O48 Si12 Yb4 -","4","1","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MOKα","","0.0779","0.0705","","","0.1515","0.1544","","","","","","1.308","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001875","19.1651","0.0017","13.9306","0.0012","23.309","0.002","90","","106.35","0.0014","90","","5971.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C48 H93 N2 O12 Si3 Y -","- C48 H93 N2 O12 Si3 Y -","- C192 H372 N8 O48 Si12 Y4 -","4","1","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MoKα","","0.0819","0.0756","","","0.166","0.1683","","","","","","1.274","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001876","13.7858","0.0013","14.6169","0.0013","17.5171","0.0016","97.9411","0.0012","91.888","0.0013","99.4943","0.0013","3442.4","0.5","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C49 H111 Cl2 O16 Si4 Yb -","- C49 H111 Cl2 O16 Si4 Yb -","- C98 H222 Cl4 O32 Si8 Yb2 -","2","2","","Lapadula, Giuseppe; Bourdolle, Adrien; Allouche, Florian; Conley, Matthew P.; del Rosal, Iker; Maron, Laurent; Lukens, Wayne W.; Guyot, Yannick; Andraud, Chantal; Brasselet, Sophie; Copéret, Christophe; Maury, Olivier; Andersen, Richard A.","Near-IR Two Photon Microscopy Imaging of Silica Nanoparticles Functionalized with Isolated Sensitized Yb(III) Centers","Chemistry of Materials","2014","26","2","1062","","10.1021/cm404140q","","","0.71073","MoKα","","0.027","0.024","","","0.0575","0.0596","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001877","9.469","0.0013","9.469","0.0013","22.233","0.004","90","","90","","120","","1726.4","0.5","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C19 H12 N2 Ni O6 -","- C19.16 H1.5 N2 Ni O6 -","- C38.32 H3 N4 Ni2 O12 -","2","0.0833333","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.89999","synchrotron","","0.1953","0.1715","","","0.4489","0.4735","","","","","","1.844","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4001878","16.571","0.002","16.571","0.002","6.9253","0.0014","90","","90","","120","","1646.9","0.4","173","2","173","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C13 H8 N2 Ni O6 -","- C13 H3 N2 Ni O6 -","- C39 H9 N6 Ni3 O18 -","3","0.25","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.71073","MoKα","","0.1034","0.099","","","0.2459","0.2496","","","","","","1.104","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001879","28.773","0.006","16.615","0.003","16.794","0.003","90","","124.45","0.03","90","","6621","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H24 N6 Ni3 O18 -","- C39 H21 N6 Ni3 O18 -","- C156 H84 N24 Ni12 O72 -","4","1","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.65","synchrotron","","0.2404","0.1554","","","0.354","0.4137","","","","","","1.007","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4001880","9.5935","0.0014","9.5935","0.0014","13.836","0.003","90","","90","","120","","1102.8","0.3","173","2","173","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C13 H8 N2 Ni O6 -","- C12.96 H1.5 N2 Ni O6 -","- C25.92 H3 N4 Ni2 O12 -","2","0.0833333","","Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo","Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties","Chemistry of Materials","2014","26","4","1711","","10.1021/cm404239s","","","0.66999","synchrotron","","0.0989","0.0811","","","0.2371","0.2491","","","","","","1.124","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4001881","5.8797","0.0008","5.8797","0.0008","13.72","0.003","90","","90","","120","","410.77","0.12","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ge2 K Mn3 O9 -","- Ge2 K Mn3 O8.99 -","- Ge4 K2 Mn6 O17.98 -","2","0.0833333","","Williams, Matthew S.; West, J. Palmer; Hwu, Shiou-Jyh","KMn3O2(Ge2O7): AnS= 2 Magnetic Insulator Featuring Pillared Kagome Lattice","Chemistry of Materials","2014","26","4","1502","","10.1021/cm403237u","","","0.71073","MoKα","","0.0269","0.0255","","","0.0589","0.0601","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001882","5.8841","0.0008","5.8841","0.0008","13.795","0.003","90","","90","","120","","413.63","0.12","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- Ge2 K0.35 Mn3 O9 Rb0.65 -","- Ge2 K0.353 Mn3 O8.99 Rb0.647 -","- Ge4 K0.706 Mn6 O17.98 Rb1.294 -","2","0.0833333","","Williams, Matthew S.; West, J. Palmer; Hwu, Shiou-Jyh","KMn3O2(Ge2O7): AnS= 2 Magnetic Insulator Featuring Pillared Kagome Lattice","Chemistry of Materials","2014","26","4","1502","","10.1021/cm403237u","","","0.71073","MoKα","","0.0311","0.0303","","","0.0716","0.0721","","","","","","1.217","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001883","31.8334","0.0016","4.6419","0.0002","12.1497","0.0006","90","","109.391","0.001","90","","1693.49","0.14","89","","89","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Europium Cadmium Antimonide/Arsenide","Eu11 Cd6 Sb7.76 As4.24","","- As4.23 Cd6 Eu11 Sb7.77 -","- As4.214 Cd6 Eu11 Sb7.786 -","- As8.428 Cd12 Eu22 Sb15.572 -","2","0.25","","Kazem, Nasrin; Xie, Weiwei; Ohno, Saneyuki; Zevalkink, Alexandra; Miller, Gordon J.; Snyder, G. Jeffrey; Kauzlarich, Susan M.","High-Temperature Thermoelectric Properties of the Solid‒Solution Zintl Phase Eu11Cd6Sb12‒xAsx(x< 3)","Chemistry of Materials","2014","26","3","1393","","10.1021/cm403345a","","","0.71073","MoKα","","0.0262","0.0213","","","0.0419","0.0428","","","","","","1.179","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001884","32.1261","0.0012","4.6788","0.0002","12.258","0.0005","90","","109.572","0.001","90","","1736.06","0.12","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Europium Cadmium Antimonide/Arsenide","","","- As4.82 Cd6 Eu11 Sb19.18 -","- As2.382 Cd6 Eu11 Sb9.618 -","- As4.764 Cd12 Eu22 Sb19.236 -","2","0.25","","Kazem, Nasrin; Xie, Weiwei; Ohno, Saneyuki; Zevalkink, Alexandra; Miller, Gordon J.; Snyder, G. Jeffrey; Kauzlarich, Susan M.","High-Temperature Thermoelectric Properties of the Solid‒Solution Zintl Phase Eu11Cd6Sb12‒xAsx(x< 3)","Chemistry of Materials","2014","26","3","1393","","10.1021/cm403345a","","","0.71073","MoKα","","0.0252","0.0213","","","0.0399","0.041","","","","","","1.071","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001885","32.3403","0.0011","4.704","0.0002","12.3358","0.0004","90","","109.74","","90","","1766.35","0.11","98","2","98","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Europium Cadmium Antimonide/Arsenide","","","- As1.01 Cd6 Eu11 Sb10.98 -","- As1.018 Cd6 Eu11 Sb10.982 -","- As2.036 Cd12 Eu22 Sb21.964 -","2","0.25","","Kazem, Nasrin; Xie, Weiwei; Ohno, Saneyuki; Zevalkink, Alexandra; Miller, Gordon J.; Snyder, G. Jeffrey; Kauzlarich, Susan M.","High-Temperature Thermoelectric Properties of the Solid‒Solution Zintl Phase Eu11Cd6Sb12‒xAsx(x< 3)","Chemistry of Materials","2014","26","3","1393","","10.1021/cm403345a","","","0.71073","MoKα","","0.0188","0.0176","","","0.0323","0.0326","","","","","","1.285","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001886","18.741","0.007","18.741","0.007","9.414","0.004","90","","90","","90","","3306","2","93","2","93","2","","","","","","","","6","P 4/n :2","-P 4a","85","Cu-SAPO STA-7, dehydrated 250 degree C","Cu-SAPO STA-7, dehydrated 250 degree C","","- C8 Al12 Cu0.32 N5 O48 P12 -","- C8 Al12 Cu0.32 N5 O48 P12 -","- C16 Al24 Cu0.64 N10 O96 P24 -","2","0.25","","Eschenroeder, Eike C. V.; Turrina, Alessandro; Picone, A. Lorena; Cinque, Gianfelice; Frogley, Mark D.; Cox, Paul A.; Howe, Russell F.; Wright, Paul A.","Monitoring the Activation of Copper-Containing Zeotype Catalysts Prepared by Direct Synthesis Using in Situ Synchrotron Infrared Microcrystal Spectroscopy and Complementary Techniques","Chemistry of Materials","2014","26","3","1434","","10.1021/cm403534b","","","0.71073","MoKα","","0.2442","0.1357","","","0.329","0.3441","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001887","18.698","0.006","18.698","0.006","9.395","0.003","90","","90","","90","","3284.6","1.8","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","Cu-SAPO STA-7, dehydrated 150 degree C","Cu-SAPO STA-7, dehydrated 150 degree C","","- C12 Al12 Cu0.38 N5 O49 P12 -","- C8 Al12 Cu0.382 N5 O49 P12 -","- C16 Al24 Cu0.764 N10 O98 P24 -","2","0.25","","Eschenroeder, Eike C. V.; Turrina, Alessandro; Picone, A. Lorena; Cinque, Gianfelice; Frogley, Mark D.; Cox, Paul A.; Howe, Russell F.; Wright, Paul A.","Monitoring the Activation of Copper-Containing Zeotype Catalysts Prepared by Direct Synthesis Using in Situ Synchrotron Infrared Microcrystal Spectroscopy and Complementary Techniques","Chemistry of Materials","2014","26","3","1434","","10.1021/cm403534b","","","0.71073","MoKα","","0.1364","0.1153","","","0.2691","0.2811","","","","","","1.269","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001888","18.71193","0.00004","18.71193","0.00004","9.39907","0.00004","90","","90","","90","","3290.96","0.017","295","","295","","","","","","","","Hydrothermally synthesized","7","P 4/n :2","-P 4a","85","Cu-SAPO STA-7","SAPO SAV framework","","- C18 Al12 Cu N5 O51.15 P8.4 Si3.6 -","- C18 Al12 Cu N5 O51.1467 P8.4 Si3.6 -","- C36 Al24 Cu2 N10 O102.293 P16.8 Si7.2 -","2","0.25","","Eschenroeder, Eike C. V.; Turrina, Alessandro; Picone, A. Lorena; Cinque, Gianfelice; Frogley, Mark D.; Cox, Paul A.; Howe, Russell F.; Wright, Paul A.","Monitoring the Activation of Copper-Containing Zeotype Catalysts Prepared by Direct Synthesis Using in Situ Synchrotron Infrared Microcrystal Spectroscopy and Complementary Techniques","Chemistry of Materials","2014","26","3","1434","","10.1021/cm403534b","powder diffraction","x-ray","0.800178","","","","","","","","","0.12765","","5.27","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001889","5.226","0.001","10.949","0.002","13.701","0.002","77.27","0.03","79.54","0.01","76.57","0.02","736.7","0.2","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N2 O6 -","- C32 H44 N2 O6 -","- C32 H44 N2 O6 -","1","0.5","","Chen, Guo; Sasabe, Hisahiro; Sasaki, Yusuke; Katagiri, Hiroshi; Wang, Xiao-Feng; Sano, Takeshi; Hong, Ziruo; Yang, Yang; Kido, Junji","A Series of Squaraine Dyes: Effects of Side Chain and the Number of Hydroxyl Groups on Material Properties and Photovoltaic Performance","Chemistry of Materials","2014","26","3","1356","","10.1021/cm4034929","","","0.71075","MoKα","","0.0795","0.0585","","","0.1485","0.1826","","","","","","0.959","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001890","9.148","0.006","19.763","0.011","9.189","0.008","90","","119.657","0.006","90","","1443.7","1.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N2 O4 -","- C32 H44 N2 O4 -","- C64 H88 N4 O8 -","2","0.5","","Chen, Guo; Sasabe, Hisahiro; Sasaki, Yusuke; Katagiri, Hiroshi; Wang, Xiao-Feng; Sano, Takeshi; Hong, Ziruo; Yang, Yang; Kido, Junji","A Series of Squaraine Dyes: Effects of Side Chain and the Number of Hydroxyl Groups on Material Properties and Photovoltaic Performance","Chemistry of Materials","2014","26","3","1356","","10.1021/cm4034929","","","0.71075","MoKα","","0.0665","0.0503","","","0.1114","0.1201","","","","","","1.12","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001891","8.9784","0.0002","19.4936","0.0004","8.8957","0.0002","90","","116.234","0.001","90","","1396.57","0.05","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N2 O2 -","- C32 H44 N2 O2 -","- C64 H88 N4 O4 -","2","0.5","","Chen, Guo; Sasabe, Hisahiro; Sasaki, Yusuke; Katagiri, Hiroshi; Wang, Xiao-Feng; Sano, Takeshi; Hong, Ziruo; Yang, Yang; Kido, Junji","A Series of Squaraine Dyes: Effects of Side Chain and the Number of Hydroxyl Groups on Material Properties and Photovoltaic Performance","Chemistry of Materials","2014","26","3","1356","","10.1021/cm4034929","","","1.54187","CuKα","","0.0413","0.0382","","","0.095","0.0978","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001892","34.6853","0.0006","34.6853","0.0006","50.6917","0.0013","90","","90","","90","","60986","2","100","2","100.01","","","","","","","","","5","I 4/m","-I 4","87","","","","- C192 H96 Cu12 N40 O60 -","- C192 H96 Cu12 N40 O60 -","- C768 H384 Cu48 N160 O240 -","4","0.25","","Barin, Gokhan; Krungleviciute, Vaiva; Gomez-Gualdron, Diego A.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.","Isoreticular Series of (3,24)-Connected Metal‒Organic Frameworks: Facile Synthesis and High Methane Uptake Properties","Chemistry of Materials","2014","26","5","1912","","10.1021/cm404155s","","","1.54178","CuKα","","0.1075","0.0735","","","0.217","0.2337","","","","","","0.868","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001893","8.1484","0.0004","8.1484","0.0004","8.1484","0.0004","90","","90","","90","","541.02","0.05","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.27/1.73/4.06)","","- Li1.24 Mn1.72 O4 -","- Li1.24 Mn1.72 O4 -","- Li9.92 Mn13.76 O32 -","8","0.0416667","","Ammundsen, Brett; Jones, Deborah J.; Rozière, Jacques; Berg, Helena; Tellgren, Roland; Thomas, John O.","Ion exchange in manganese dioxide spinel: proton, deuteron, and lithium sites determined from neutron powder diffraction data","Chemistry of Materials","1998","10","6","1680","1687","10.1021/cm9800478","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001894","17.51709","0.0009","17.51709","0.0009","8.198","0.0005","90","","90","","90","","2515.5","0.2","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li36 Mn72 O144 -","36","1.125","","Wills, A. S.; Raju, N. P.; Greedan, J. E.","Low-temperature structure and magnetic properties of the spinel LiMn~2~O~4~: a frustrated antiferromagnet and cathode material","Chemistry of Materials","1999","11","6","1510","1518","10.1021/cm981041l","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001895","17.54019","0.0005","17.54019","0.0005","8.20515","0.00028","90","","90","","90","","2524.38","0.13","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li36 Mn72 O144 -","36","1.125","","Wills, A. S.; Raju, N. P.; Greedan, J. E.","Low-temperature structure and magnetic properties of the spinel LiMn~2~O~4~: a frustrated antiferromagnet and cathode material","Chemistry of Materials","1999","11","6","1510","1518","10.1021/cm981041l","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001896","8.2483","0.0006","8.2483","0.0006","8.2483","0.0006","90","","90","","90","","561.17","0.07","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Akimoto, Junji; Takahashi, Yasuhiko; Gotoh, Yoshito; Mizuta, Susumu","Single crystal X-ray diffraction study of the spinel-type LiMn~2~O~4~","Chemistry of Materials","2000","12","11","3246","3248","10.1021/cm0003673","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001897","2.83961","0.00011","2.83961","0.00011","14.486","0.005","90","","90","","120","","101.16","0.04","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.48/0.89/2)","","- Li0.48 Mn0.89 O2 -","- Li0.48 Mn0.89 O2 -","- Li1.44 Mn2.67 O6 -","3","0.0833333","","Raekelboom, E.; Hector, A. L.; Owen, J.; Vitins, G.; Weller, M. T.","Syntheses, structures, and preliminary electrochemistry of the layered lithium and sodium manganese(IV) oxides, A~2~Mn~3~O~7~","Chemistry of Materials","2001","13","12","4618","4623","10.1021/cm011105j","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001898","4.574","0.001","5.752","0.001","2.808","0.001","90","","90","","90","","73.88","0.03","","","","","","","","","","","","3","P m n m :2","-P 2c 2a","59","","Lithium Manganese(III) Oxide","","- Li Mn O2 -","- Li Mn O2 -","- Li2 Mn2 O4 -","2","0.25","","Akimoto, Junji; Takahashi, Yasuhiko; Gotoh, Yoshito; Kawaguchi, Kenji; Dokko, Kaoru; Uchida, Isamu","Synthesis, crystal structure and magnetic property of delithiated Li~x~MnO~2~ (x < 0.1) single crystals: a novel disordered rocksalt-type manganese dioxide","Chemistry of Materials","2003","15","15","2984","2990","10.1021/cm034147b","","","","","","0.013","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001899","4.095","0.003","4.095","0.003","4.095","0.003","90","","90","","90","","68.67","0.09","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lithium Manganese Oxide (0.05/0.96/2)","","- Li0.05 Mn0.96 O2 -","- Mn0.96 O2 -","- Mn1.92 O4 -","2","0.0104167","","Akimoto, Junji; Takahashi, Yasuhiko; Gotoh, Yoshito; Kawaguchi, Kenji; Dokko, Kaoru; Uchida, Isamu","Synthesis, crystal structure and magnetic property of delithiated Li~x~MnO~2~ (x < 0.1) single crystals: a novel disordered rocksalt-type manganese dioxide","Chemistry of Materials","2003","15","15","2984","2990","10.1021/cm034147b","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176334","2020-10-21","18:00:00",""
"4001900","4.9292","0.0002","8.5315","0.0002","5.0251","0.0001","90","","109.337","0.002","90","","199.402","0.01","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dilithium Manganate(IV)","","- Li2 Mn O3 -","- Li2 Mn O3 -","- Li8 Mn4 O12 -","4","0.5","","Boulineau, A.; Croguennec, L.; Delmas, C.; Weill, F.","Reinvestigation of Li~2~MnO~3~ structure: electron diffraction and high resolution TEM","Chemistry of Materials","2009","21","18","4216","4222","10.1021/cm900998n","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001901","2.8724","0.0007","2.8724","0.0007","14.495","0.003","90","","90","","120","","103.57","0.04","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.78/0.85/2)","","- Li0.78 Mn0.85 O2 -","- Li0.78 Mn0.85 O2 -","- Li2.34 Mn2.55 O6 -","3","0.0833333","","Armstrong, A. Robert; Paterson, Allan J.; Dupré, Nicolas; Grey, Clare P.; Bruce, Peter G.","Structural evolution of layered Li~x~Mn~y~O~2~: combined neutron, NMR, and electrochemical study","Chemistry of Materials","2007","19","5","1016","1023","10.1021/cm0621747","","","","","","0.0151","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001902","2.8752","0.0012","2.8752","0.0012","14.391","0.005","90","","90","","120","","103.03","0.07","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (1.07/0.76/2)","","- Li1.07 Mn0.76 O2 -","- Li1.07 Mn0.76 O2 -","- Li3.21 Mn2.28 O6 -","3","0.0833333","","Armstrong, A. Robert; Paterson, Allan J.; Dupré, Nicolas; Grey, Clare P.; Bruce, Peter G.","Structural evolution of layered Li~x~Mn~y~O~2~: combined neutron, NMR, and electrochemical study","Chemistry of Materials","2007","19","5","1016","1023","10.1021/cm0621747","","","","","","0.0194","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001903","2.8752","0.0008","2.8752","0.0008","14.425","0.003","90","","90","","120","","103.27","0.05","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.80/0.81/2)","","- Li0.8 Mn0.81 O2 -","- Li0.8 Mn0.81 O2 -","- Li2.4 Mn2.43 O6 -","3","0.0833333","","Armstrong, A. Robert; Paterson, Allan J.; Dupré, Nicolas; Grey, Clare P.; Bruce, Peter G.","Structural evolution of layered Li~x~Mn~y~O~2~: combined neutron, NMR, and electrochemical study","Chemistry of Materials","2007","19","5","1016","1023","10.1021/cm0621747","","","","","","0.0179","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001904","2.8756","0.001","2.8756","0.001","14.332","0.004","90","","90","","120","","102.63","0.06","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.96/0.79/2)","","- Li0.96 Mn0.79 O2 -","- Li0.96 Mn0.79 O2 -","- Li2.88 Mn2.37 O6 -","3","0.0833333","","Armstrong, A. Robert; Paterson, Allan J.; Dupré, Nicolas; Grey, Clare P.; Bruce, Peter G.","Structural evolution of layered Li~x~Mn~y~O~2~: combined neutron, NMR, and electrochemical study","Chemistry of Materials","2007","19","5","1016","1023","10.1021/cm0621747","","","","","","0.0104","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001905","2.88","0.002","2.88","0.002","14.347","0.005","90","","90","","120","","103.06","0.11","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.96/0.74/2)","","- Li0.96 Mn0.74 O2 -","- Li0.96 Mn0.74 O2 -","- Li2.88 Mn2.22 O6 -","3","0.0833333","","Armstrong, A. Robert; Paterson, Allan J.; Dupré, Nicolas; Grey, Clare P.; Bruce, Peter G.","Structural evolution of layered Li~x~Mn~y~O~2~: combined neutron, NMR, and electrochemical study","Chemistry of Materials","2007","19","5","1016","1023","10.1021/cm0621747","","","","","","0.0164","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4001906","28.7093","0.0006","3.82563","0.00007","20.6241","0.0004","90","","90","","90","","2265.17","0.08","","","","","","","","","","","","3","A m m a","-A 2a 2a","63","","","","- Fe Nb11 O29 -","- Fe Nb11 O29 -","- Fe4 Nb44 O116 -","4","0.25","","Pinus, Ilya; Catti, Michele; Ruffo, Riccardo; Salamone, Matteo M.; Mari, Claudio M.","Neutron Diffraction and Electrochemical Study of FeNb11O29/Li11FeNb11O29for Lithium Battery Anode Applications","Chemistry of Materials","2014","26","6","2203","","10.1021/cm500442j","powder diffraction","","","","","","","","","","","","","1.44","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001907","28.4036","0.0004","4.08447","0.00008","20.70671","0.00019","90","","90","","90","","2402.26","0.06","","","","","","","","","","","","4","A m m a","-A 2a 2a","63","","","","- Fe Li11 Nb11 O29 -","- Fe0.996 Li11 Nb11.004 O29 -","- Fe3.984 Li44 Nb44.016 O116 -","4","0.25","","Pinus, Ilya; Catti, Michele; Ruffo, Riccardo; Salamone, Matteo M.; Mari, Claudio M.","Neutron Diffraction and Electrochemical Study of FeNb11O29/Li11FeNb11O29for Lithium Battery Anode Applications","Chemistry of Materials","2014","26","6","2203","","10.1021/cm500442j","powder diffraction","neutron","","","","","","","","","","0.09172","","2.23","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001908","5.1645","0.0004","7.8154","0.0006","8.1013","0.0006","62.654","0.002","73.88","0.002","85.266","0.002","278.64","0.04","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Yttrium copper tellurite sulfate","","","- Cu O14 S2 Te2 Y2 -","- Cu O14 S2 Te2 Y2 -","- Cu O14 S2 Te2 Y2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0263","0.0201","","","0.0407","0.0424","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001909","5.2397","0.0005","8.008","0.0008","8.301","0.0008","62.268","0.001","74.022","0.001","85.499","0.001","295.88","0.05","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Neodymium copper tellurite sulfate","","","- Cu Nd2 O14 S2 Te2 -","- Cu Nd2 O14 S2 Te2 -","- Cu Nd2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.022","0.0219","","","0.0568","0.0569","","","","","","1.271","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001910","5.214","0.0006","7.9348","0.0009","8.2384","0.0009","62.411","0.001","73.982","0.001","85.422","0.001","289.89","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Samarium copper tellurite sulfate","","","- Cu O14 S2 Sm2 Te2 -","- Cu O14 S2 Sm2 Te2 -","- Cu O14 S2 Sm2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","","","0.0196","0.0194","","","0.0504","0.0505","","","","","","1.191","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4001911","5.2216","0.0009","7.9072","0.0014","8.1991","0.0015","62.69","0.002","73.811","0.002","85.453","0.002","288.4","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Europium copper tellurite sulfate","","","- Cu Eu2 O14 S2 Te2 -","- Cu Eu2 O14 S2 Te2 -","- Cu Eu2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0263","0.0231","","","0.0556","0.0574","","","","","","1.065","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001912","5.1886","0.0007","7.8776","0.0011","8.1516","0.0011","62.344","0.001","74.031","0.001","85.319","0.001","283.32","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Gadolinium copper tellurite sulfate","","","- Cu Gd2 O14 S2 Te2 -","- Cu Gd2 O14 S2 Te2 -","- Cu Gd2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0241","0.0238","","","0.0586","0.0588","","","","","","1.21","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001913","5.1939","0.0009","7.8689","0.0013","8.1664","0.0014","62.602","0.002","73.928","0.002","85.34","0.002","284.33","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Terbium copper tellurite sulfate","","","- Cu O14 S2 Tb2 Te2 -","- Cu O14 S2 Tb2 Te2 -","- Cu O14 S2 Tb2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0215","0.0182","","","0.0396","0.0406","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001914","5.1706","0.001","7.8301","0.0015","8.1176","0.0016","62.479","0.002","73.957","0.002","85.171","0.002","279.75","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Dysprosium copper tellurite sulfate","","","- Cu Dy2 O14 S2 Te2 -","- Cu Dy2 O14 S2 Te2 -","- Cu Dy2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0209","0.0207","","","0.0526","0.0527","","","","","","1.162","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001915","5.179","0.004","7.814","0.006","8.108","0.006","62.793","0.006","73.836","0.007","85.241","0.007","279.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Holmium copper tellurite sulfate","","","- Cu Ho2 O14 S2 Te2 -","- Cu Ho2 O14 S2 Te2 -","- Cu Ho2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0206","0.0204","","","0.0517","0.0519","","","","","","1.105","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001916","5.1661","0.0007","7.8092","0.001","8.0902","0.001","62.567","0.001","73.873","0.001","85.134","0.001","277.93","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Erbium copper tellurite sulfate","","","- Cu Er2 O14 S2 Te2 -","- Cu Er2 O14 S2 Te2 -","- Cu Er2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0141","0.014","","","0.0341","0.0342","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001917","5.1529","0.0007","7.7976","0.0011","8.0821","0.0012","62.628","0.001","73.848","0.001","85.059","0.001","276.67","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Thulium copper tellurite sulfate","","","- Cu O14 S2 Te2 Tm2 -","- Cu O14 S2 Te2 Tm2 -","- Cu O14 S2 Te2 Tm2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0147","0.0147","","","0.0368","0.0369","","","","","","1.131","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001918","5.3283","0.0015","8.041","0.002","8.113","0.002","114.57","0.002","106.545","0.002","96.272","0.003","292.52","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ytterbium copper tellurite sulfate","","","- Cu O14 S2 Te2 Yb2 -","- Cu O14 S2 Te2 Yb2 -","- Cu O14 S2 Te2 Yb2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.019","0.0188","","","0.0468","0.0469","","","","","","1.137","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001919","5.3269","0.0007","8.0617","0.001","8.1236","0.001","114.434","0.001","106.47","0.001","96.486","0.001","293.8","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Lutetium copper tellurite sulfate","","","- Cu Lu2 O14 S2 Te2 -","- Cu Lu2 O14 S2 Te2 -","- Cu Lu2 O14 S2 Te2 -","1","0.5","","Lin, Jian; Chai, Ping; Diefenbach, Kariem; Shatruk, Michael; Albrecht-Schmitt, Thomas E.","Challenges in the Search for Magnetic Coupling in 3d/4f Materials: Syntheses, Structures, and Magnetic Properties of the Lanthanide Copper Heterobimetallic Compounds, RE2Cu(TeO3)2(SO4)2","Chemistry of Materials","2014","26","6","2187","","10.1021/cm500252q","","","0.71073","MoKα","","0.0182","0.0176","","","0.0446","0.0449","","","","","","1.157","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001920","7.269","0.005","6.361","0.004","12.408","0.008","90","","106.556","0.011","90","","549.9","0.6","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Ga4 S7 Sn -","- Ga4 S7 Sn -","- Ga8 S14 Sn2 -","2","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","SHG Materials SnGa4Q7(Q = S, Se) Appearing with Large Conversion Efficiencies, High Damage Thresholds, and Wide Transparencies in the Mid-Infrared Region","Chemistry of Materials","2014","26","8","2743","","10.1021/cm5006955","","","0.71073","MoKα","","0.0203","0.0196","","","0.0418","0.0419","","","","","","0.979","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001921","7.577","0.004","6.666","0.003","13.023","0.008","90","","106.68","0.007","90","","630.1","0.6","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Ga4 Se7 Sn -","- Ga4 Se7 Sn -","- Ga8 Se14 Sn2 -","2","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; He, Zhang-Zhen; Cheng, Wen-Dan","SHG Materials SnGa4Q7(Q = S, Se) Appearing with Large Conversion Efficiencies, High Damage Thresholds, and Wide Transparencies in the Mid-Infrared Region","Chemistry of Materials","2014","26","8","2743","","10.1021/cm5006955","","","0.71073","MoKα","","0.0562","0.0489","","","0.1099","0.1158","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001922","13.271","0.004","13.303","0.004","14.211","0.004","67.296","0.006","87.59","0.006","76.695","0.006","2249.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H50 Mn2 N4 O29 Sr2 -","- C20 H50 Mn2 N4 O29 Sr2 -","- C40 H100 Mn4 N8 O58 Sr4 -","2","1","","González-Jiménez, Irma N.; Torres-Pardo, Almudena; Sánchez-Peláez, Ana E.; Gutiérrez, Ángel; García-Hernández, Mar; González-Calbet, José M.; Parras, Marina; Varela, Áurea","Synthesis of 4H-SrMnO3.0Nanoparticles from a Molecular Precursor and Their Topotactic Reduction Pathway Identified at Atomic Scale","Chemistry of Materials","2014","26","7","2256","","10.1021/cm500068y","","","0.71073","MoKα","","0.1459","0.0561","","","0.1169","0.1334","","","","","","0.734","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001923","13.605","0.003","3.8884","0.0008","17.594","0.004","90","","93.47","0.03","90","","929","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca2.24 Nd7.76 O10 Sb2.97 -","- Ca2.234 Nd7.766 O10 Sb2.964 -","- Ca4.468 Nd15.532 O20 Sb5.928 -","2","0.25","","Forbes, Scott; Yuan, Fang; Saparov, Bayrammurad; Sefat, Athena S.; Kosuda, Kosuke; Kolodiazhnyi, Taras; Mozharivskyj, Yurij","Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)","Chemistry of Materials","2014","26","7","2289","","10.1021/cm500157y","","","0.71073","MoKα","","0.054","0.0367","","","0.0556","0.059","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001924","13.462","0.003","3.8429","0.0008","17.458","0.004","90","","93.62","0.03","90","","901.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca2.12 O10 Sb2.99 Sm7.88 -","- Ca2.114 O10 Sb2.988 Sm7.886 -","- Ca4.228 O20 Sb5.976 Sm15.772 -","2","0.25","","Forbes, Scott; Yuan, Fang; Saparov, Bayrammurad; Sefat, Athena S.; Kosuda, Kosuke; Kolodiazhnyi, Taras; Mozharivskyj, Yurij","Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)","Chemistry of Materials","2014","26","7","2289","","10.1021/cm500157y","","","0.71073","MoKα","","0.074","0.038","","","0.0423","0.0475","","","","","","0.954","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001925","13.651","0.003","3.9229","0.0008","17.628","0.004","90","","93.54","0.03","90","","942.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca2.04 O10 Pr7.96 Sb2.97 -","- Ca2.034 O10 Pr7.966 Sb2.964 -","- Ca4.068 O20 Pr15.932 Sb5.928 -","2","0.25","","Forbes, Scott; Yuan, Fang; Saparov, Bayrammurad; Sefat, Athena S.; Kosuda, Kosuke; Kolodiazhnyi, Taras; Mozharivskyj, Yurij","Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)","Chemistry of Materials","2014","26","7","2289","","10.1021/cm500157y","","","0.71073","MoKα","","0.0881","0.0356","","","0.0339","0.0395","","","","","","0.802","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001926","13.307","0.003","3.7791","0.0008","17.271","0.004","90","","93.67","0.03","90","","866.8","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca1.9 O10 Sb3.02 Tb8.1 -","- Ca1.906 O10 Sb3.016 Tb8.094 -","- Ca3.812 O20 Sb6.032 Tb16.188 -","2","0.25","","Forbes, Scott; Yuan, Fang; Saparov, Bayrammurad; Sefat, Athena S.; Kosuda, Kosuke; Kolodiazhnyi, Taras; Mozharivskyj, Yurij","Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)","Chemistry of Materials","2014","26","7","2289","","10.1021/cm500157y","","","0.71073","MoKα","","0.068","0.0344","","","0.0379","0.042","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001927","13.386","0.003","3.7985","0.0008","17.368","0.004","90","","93.59","0.03","90","","881.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ca2.08 Gd7.92 O10 Sb2.97 -","- Ca2.082 Gd7.918 O10 Sb2.968 -","- Ca4.164 Gd15.836 O20 Sb5.936 -","2","0.25","","Forbes, Scott; Yuan, Fang; Saparov, Bayrammurad; Sefat, Athena S.; Kosuda, Kosuke; Kolodiazhnyi, Taras; Mozharivskyj, Yurij","Synthesis, Crystal Structure, and Electronic Properties of the CaRE3SbO4and Ca2RE8Sb3O10phases (RE = Rare-Earth Metal)","Chemistry of Materials","2014","26","7","2289","","10.1021/cm500157y","","","0.71073","MoKα","","0.0772","0.0404","","","0.0533","0.059","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001928","8.9654","0.0002","8.9654","0.0002","8.9654","0.0002","90","","90","","90","","720.62","0.03","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Co2 Zn11 -","- Co2 Zn11 -","- Co8 Zn44 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0166","0.0165","","","0.0366","0.0366","","","","","","1.221","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001929","8.9552","0.0005","8.9552","0.0005","8.9552","0.0005","90","","90","","90","","718.17","0.07","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Co2.34 Zn10.63 -","- Co2.33 Zn10.642 -","- Co9.32 Zn42.568 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0154","0.0153","","","0.0341","0.0341","","","","","","1.226","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001930","8.911","0.003","8.911","0.003","8.911","0.003","90","","90","","90","","707.6","0.4","296","2","296","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Co2.65 Zn10.29 -","- Co2.66 Zn10.286 -","- Co10.64 Zn41.144 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0153","0.0139","","","0.0291","0.0297","","","","","","1.093","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001931","8.882","0.004","8.882","0.004","8.882","0.004","90","","90","","90","","700.7","0.5","273","2","273","2","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Co2.85 Zn10.03 -","- Co2.84 Zn10.034 -","- Co11.36 Zn40.136 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0165","0.0162","","","0.0381","0.0381","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001932","9.051","0.0007","9.051","0.0007","9.051","0.0007","90","","90","","90","","741.46","0.1","296","2","296","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Co0.92 Pd1.08 Zn11 -","- Co0.926 Pd1.074 Zn11 -","- Co3.704 Pd4.296 Zn44 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0226","0.0216","","","0.0451","0.0457","","","","","","1.061","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001933","9.078","0.001","9.078","0.001","9.078","0.001","90","","90","","90","","748.12","0.14","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Co2.5 Pd2.5 Zn8 -","- Co2.51 Pd2.49 Zn8 -","- Co10.04 Pd9.96 Zn32 -","4","0.0833333","","Xie, Weiwei; Miller, Gordon J.","New Co‒Pd‒Zn γ-Brasses with Dilute Ferrimagnetism and Co2Zn11Revisited: Establishing the Synergism between Theory and Experiment","Chemistry of Materials","2014","26","8","2624","","10.1021/cm500078w","","","0.71073","MoKα","","0.0152","0.0152","","","0.0405","0.0405","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001934","9.095377","0.000032","6.049344","0.000018","8.256195","0.000024","90","","103.404","0.00027","90","","441.89","0.002","","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NdBaInO4","","- Ba In Nd O4 -","- Ba In Nd O4 -","- Ba4 In4 Nd4 O16 -","4","1","","Fujii, Kotaro; Esaki, Yuichi; Omoto, Kazuki; Yashima, Masatomo; Hoshikawa, Akinori; Ishigaki, Toru; Hester, James R.","New Perovskite-Related Structure Family of Oxide-Ion Conducting Materials NdBaInO4","Chemistry of Materials","2014","26","8","2488","","10.1021/cm500776x","powder diffraction","neutron","","neutron","","0.02127","","","","","","","0.04392","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001935","11.4235","0.0016","11.4235","0.0016","13.445","0.003","90","","90","","90","","1754.5","0.5","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ca Mg3 N4 Si -","- Ca Mg3 N4 Si -","- Ca16 Mg48 N64 Si16 -","16","1","","Schmiechen, Sebastian; Schneider, Hajnalka; Wagatha, Peter; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang","Toward New Phosphors for Application in Illumination-Grade White pc-LEDs: The Nitridomagnesosilicates Ca[Mg3SiN4]:Ce3+, Sr[Mg3SiN4]:Eu2+, and Eu[Mg3SiN4]","Chemistry of Materials","2014","26","8","2712","","10.1021/cm500610v","","","0.71073","MoKα","","0.0494","0.0403","","","0.1063","0.1096","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001936","11.4951","0.0016","11.4951","0.0016","13.512","0.003","90","","90","","90","","1785.4","0.5","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Mg3 N4 Si Sr -","- Mg3 N4 Si Sr -","- Mg48 N64 Si16 Sr16 -","16","1","","Schmiechen, Sebastian; Schneider, Hajnalka; Wagatha, Peter; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang","Toward New Phosphors for Application in Illumination-Grade White pc-LEDs: The Nitridomagnesosilicates Ca[Mg3SiN4]:Ce3+, Sr[Mg3SiN4]:Eu2+, and Eu[Mg3SiN4]","Chemistry of Materials","2014","26","8","2712","","10.1021/cm500610v","","","0.71073","MoKα","","0.0483","0.0362","","","0.1024","0.1113","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001937","11.5105","0.0004","11.5105","0.0004","13.5519","0.0004","90","","90","","90","","1795.51","0.1","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Eu Mg3 N4 Si -","- Eu Mg3 N4 Si -","- Eu16 Mg48 N64 Si16 -","16","1","","Schmiechen, Sebastian; Schneider, Hajnalka; Wagatha, Peter; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang","Toward New Phosphors for Application in Illumination-Grade White pc-LEDs: The Nitridomagnesosilicates Ca[Mg3SiN4]:Ce3+, Sr[Mg3SiN4]:Eu2+, and Eu[Mg3SiN4]","Chemistry of Materials","2014","26","8","2712","","10.1021/cm500610v","","","0.71073","MoKα","","0.0185","0.0163","","","0.0392","0.0403","","","","","","1.013","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001938","17.6594","0.0004","15.9973","0.0004","11.2462","0.0003","90","","90","","90","","3177.08","0.14","133","2","133","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H8 B F15 N3 O3 Re -","- C34 H8 B F15 N3 O3 Re -","- C136 H32 B4 F60 N12 O12 Re4 -","4","0.5","","Chu, Wing-Kin; Ko, Chi-Chiu; Chan, Kin-Cheung; Yiu, Shek-Man; Wong, Fu-Lung; Lee, Chun-Sing; Roy, V. A. L.","A Simple Design for Strongly Emissive Sky-Blue Phosphorescent Neutral Rhenium Complexes: Synthesis, Photophysics, and Electroluminescent Devices","Chemistry of Materials","2014","26","8","2544","","10.1021/cm4038654","","","0.7107","MoKα","","0.0236","0.0197","","","0.0475","0.0494","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001939","17.2988","0.0015","18.119","0.0016","31.676","0.003","90","","90","","90","","9928.4","1.5","150","2","150","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C7 H7 In N3 O9.5 -","- C7 H7 In N3 O9.5 -","- C224 H224 In32 N96 O304 -","32","1","","Zhao, Xiang; Mao, Chengyu; Bu, Xianhui; Feng, Pingyun","Direct Observation of Two Types of Proton Conduction Tunnels Coexisting in a New Porous Indium‒Organic Framework","Chemistry of Materials","2014","26","8","2492","","10.1021/cm500473f","","","0.71073","MoKα","","0.0321","0.0239","","","0.0612","0.0651","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001940","7.5376","0.0007","7.5376","0.0007","7.6002","0.0012","90","","90","","90","","431.81","0.09","293","2","293","2","","","","","","","","4","P 42 m c","P 4c -2","105","","","","- Ca Mn O6 Ti2 -","- Ca Mn O6 Ti2 -","- Ca4 Mn4 O24 Ti8 -","4","0.5","","Aimi, Akihisa; Mori, Daisuke; Hiraki, Ko-ichi; Takahashi, Toshihiro; Shan, Yue Jin; Shirako, Yuichi; Zhou, Jianshi; Inaguma, Yoshiyuki","High-Pressure Synthesis ofA-Site Ordered Double Perovskite CaMnTi2O6and Ferroelectricity Driven by Coupling ofA-Site Ordering and the Second-Order Jahn‒Teller Effect","Chemistry of Materials","2014","26","8","2601","","10.1021/cm500016z","","","0.71073","MoKα","","0.0215","0.0197","","","","0.0703","","","","","","1.279","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001941","4.8116","0.0004","7.3828","0.0007","18.4439","0.0017","88.811","0.007","88.827","0.007","74.371","0.008","630.75","0.1","293.1","0.2","293.1","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H7 Br2 N O3 S -","- C10 H7 Br2 N O3 S -","- C20 H14 Br4 N2 O6 S2 -","2","1","","Warnan, Julien; Cabanetos, Clément; Bude, Romain; El Labban, Abdulrahman; Li, Liang; Beaujuge, Pierre M.","Electron-DeficientN-Alkyloyl Derivatives of Thieno[3,4-c]pyrrole-4,6-dione Yield Efficient Polymer Solar Cells with Open-Circuit Voltages > 1 V","Chemistry of Materials","2014","26","9","2829","","10.1021/cm5002303","","","0.7107","MoKα","","0.089988","0.05587","","","","0.146153","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001942","31.818","0.008","13.992","0.003","19.34","0.005","90","","98.544","0.003","90","","8515","4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H111 Eu2 N13 O21 -","- C58 H30 Eu2 N8 O16 -","- C232 H120 Eu8 N32 O64 -","4","0.5","","Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M.","Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family","Chemistry of Materials","2014","26","9","2943","","10.1021/cm500700z","","","0.71073","MoKα","","0.0874","0.0625","","","0.1601","0.169","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001943","32.092","0.018","34.184","","34.184","0.019","90","","90","","90","","37501","3","193","2","193","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C153 H169 In6 N27 O63 -","- C108 H60 In6 N12 O48 -","- C864 H480 In48 N96 O384 -","8","0.5","","Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M.","Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family","Chemistry of Materials","2014","26","9","2943","","10.1021/cm500700z","","","0.71073","MoKα","","0.129","0.0939","","","0.2569","0.2762","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001944","8.1443","0.0003","8.1171","0.0003","11.7005","0.0005","90","","90","","90","","773.5","0.05","293","2","293","2","","","","","","","","3","P n c 2","P 2 -2bc","30","","","","- Ag I3 O8 -","- Ag I3 O8 -","- Ag4 I12 O32 -","4","1","","Xu, Xiang; Hu, Chun-Li; Li, Bing-Xuan; Yang, Bing-Ping; Mao, Jiang-Gao","α-AgI3O8and β-AgI3O8with Large SHG Responses: Polymerization of IO3Groups into the I3O8Polyiodate Anion","Chemistry of Materials","2014","26","10","3219","","10.1021/cm500898q","","","0.71073","MoKα","","0.0226","0.0206","","","0.0455","0.0469","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001945","8.1283","0.0001","8.1283","0.0001","23.4603","0.0007","90","","90","","90","","1550","0.05","293","2","293","2","","","","","","","","3","I -4","I -4","82","","","","- Ag I3 O8 -","- Ag I3 O8 -","- Ag8 I24 O64 -","8","1","","Xu, Xiang; Hu, Chun-Li; Li, Bing-Xuan; Yang, Bing-Ping; Mao, Jiang-Gao","α-AgI3O8and β-AgI3O8with Large SHG Responses: Polymerization of IO3Groups into the I3O8Polyiodate Anion","Chemistry of Materials","2014","26","10","3219","","10.1021/cm500898q","","","0.71073","MoKα","","0.0206","0.0199","","","0.0392","0.0398","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001947","13.0397","0.0012","13.0397","0.0012","6.3042","0.0012","90","","90","","90","","1071.9","0.2","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 S3 -","- Ba Cu0.25 Ga1.25 S3 -","- Ba8 Cu2 Ga10 S24 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0212","0.0211","","","0.0577","0.0578","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001948","13.1585","0.0002","13.1585","0.0002","6.352","0.0002","90","","90","","90","","1099.82","0.04","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 S2.32 Se0.68 -","- Ba Cu0.25 Ga1.25 S2.248 Se0.719 -","- Ba8 Cu2 Ga10 S17.984 Se5.752 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0193","0.0181","","","0.0398","0.0402","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001949","13.5975","0.0014","13.5975","0.0014","6.5266","0.0013","90","","90","","90","","1206.7","0.3","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 Se3 -","- Ba Cu0.25 Ga1.25 Se3 -","- Ba8 Cu2 Ga10 Se24 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0278","0.0264","","","0.0665","0.0673","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001950","41.257","0.006","10.1464","0.0014","24.038","0.004","90","","96.739","0.004","90","","9993","3","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","10132","","","- C46 H36 -","- C46 H36 -","- C552 H432 -","12","1.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0919","0.0475","","","0.097","0.1131","","","","","","1.017","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001951","12.7495","0.001","9.4141","0.0007","14.5027","0.0011","90","","99.576","0.002","90","","1716.4","0.2","173","2","173","2","","","","","","","","2","P 1 21 1","P 2yb","4","10150","","","- C48 H40 -","- C48 H40 -","- C96 H80 -","2","1","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0606","0.0431","","","0.0958","0.1051","","","","","","1.024","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001952","15.2045","0.0008","13.901","0.0008","14.3104","0.0008","90","","90","","90","","3024.6","0.3","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","11253b","","","- C44 H32 -","- C44 H32 -","- C176 H128 -","4","1","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0635","0.0421","","","0.0861","0.0964","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001953","7.1443","0.0006","14.051","0.0012","34.143","0.003","90","","90","","90","","3427.4","0.5","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","11079_0m","","","- C46 H30 F6 -","- C46 H30 F6 -","- C184 H120 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.1207","0.0952","","","0.2648","0.2828","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001954","7.5317","0.001","14.634","0.002","32.424","0.004","90","","90","","90","","3573.7","0.8","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","11008a","","","- C48 H34 F6 -","- C48 H34 F6 -","- C192 H136 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0976","0.0761","","","0.2043","0.2221","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001955","7.1162","0.0005","31.179","0.002","14.2075","0.001","90","","90","","90","","3152.3","0.4","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","11080","","","- C44 H26 F6 -","- C44 H26 F6 -","- C176 H104 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0736","0.0459","","","0.1241","0.1477","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001956","12.6029","0.001","15.0179","0.0012","20.6246","0.0015","90","","90","","90","","3903.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H34 N4 Sn -","- C16 H34 N4 Sn -","- C128 H272 N32 Sn8 -","8","1","","Kim, Sang Bok; Sinsermsuksakul, Prasert; Hock, Adam S.; Pike, Robert D.; Gordon, Roy G.","Synthesis of N-Heterocyclic Stannylene (Sn(II)) and Germylene (Ge(II)) and a Sn(II) Amidinate and Their Application as Precursors for Atomic Layer Deposition","Chemistry of Materials","2014","26","10","3065","","10.1021/cm403901y","","","0.71073","MoKα","","0.039","0.0266","","","0.0549","0.0598","","","","","","1.001","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001957","23.3846","0.0011","6.4294","0.0003","21.7442","0.001","90","","117.556","0.001","90","","2898.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N2 Sn -","- C12 H26 N2 Sn -","- C96 H208 N16 Sn8 -","8","2","","Kim, Sang Bok; Sinsermsuksakul, Prasert; Hock, Adam S.; Pike, Robert D.; Gordon, Roy G.","Synthesis of N-Heterocyclic Stannylene (Sn(II)) and Germylene (Ge(II)) and a Sn(II) Amidinate and Their Application as Precursors for Atomic Layer Deposition","Chemistry of Materials","2014","26","10","3065","","10.1021/cm403901y","","","0.71073","MoKα","","0.0701","0.0644","","","0.1709","0.1733","","","","","","1.292","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001958","16.3608","0.0006","16.3608","0.0006","16.3608","0.0006","90","","90","","90","","4379.4","0.3","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- B4 Ca53 H23 In13 -","- B2.32 Ca52.668 H24.68 In13 -","- B4.64 Ca105.336 H49.36 In26 -","2","0.0416667","","Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E.","Ca54In13B4‒xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions","Chemistry of Materials","2014","26","10","3202","","10.1021/cm5007982","","","0.71073","MoKα","","0.0171","0.0164","","","0.0415","0.0417","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001959","16.3608","0.0006","16.3608","0.0006","16.3608","0.0006","90","","90","","90","","4379.4","0.3","173","2","173","2","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- B4 Ca53 H23 In13 -","- B1.64 Ca52.68 H25.36 In13 -","- B3.28 Ca105.36 H50.72 In26 -","2","0.0416667","","Blankenship, Trevor V.; Chen, Banghao; Latturner, Susan E.","Ca54In13B4–xH23+x: A Complex Metal Subhydride Featuring Ionic and Metallic Regions","Chemistry of Materials","2014","26","10","3202","","10.1021/cm5007982","","","0.71073","MoKα","","0.0171","0.0165","","","0.0395","0.0397","","","","","","1.142","","","","has coordinates","281946","2023-03-20","09:26:09",""
"4001960","12.255","0.003","14.877","0.003","16.037","0.003","90.02","0.03","94.3","0.03","94.75","0.03","2905.5","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H54 Cl6 N2 O8 -","- C72 H54 Cl6 N2 O8 -","- C144 H108 Cl12 N4 O16 -","2","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.081","0.0578","","","0.1508","0.1687","","","","","","1.045","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001961","12.466","0.003","14.607","0.003","17.777","0.006","90","","122.27","0.02","90","","2737","1.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N O4 -","- C36 H29 N O4 -","- C144 H116 N4 O16 -","4","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.0509","0.0391","","","0.091","0.0951","","","","","","0.911","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001962","9.756","0.002","13.361","0.003","15.794","0.003","104.18","0.03","103.41","0.03","100.78","0.03","1875.6","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H68 Cl12 N2 O8 -","- C74.2 H56 N2 O8 -","- C74.2 H56 N2 O8 -","1","0.5","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.4862","0.4538","","","0.7954","0.8236","","","","","","3.588","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001963","13.507","0.004","14.759","0.005","15.313","0.005","110.149","0.007","90.272","0.004","91.206","0.004","2865","1.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H48 Cl6 N2 O8 -","- C69 H48 Cl6 N2 O8 -","- C138 H96 Cl12 N4 O16 -","2","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.7107","MoKα","","0.1003","0.0709","","","0.1843","0.2066","","","","","","1.058","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001964","14.759","0.004","22.637","0.006","10.135","0.003","90","","94.415","0.004","90","","3376.1","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H52 Cl12 N2 O8 -","- C72 H50 Cl12 N2 O8 -","- C144 H100 Cl24 N4 O16 -","2","0.5","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.0997","0.0888","","","0.2489","0.2612","","","","","","1.035","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001965","26.823","0.008","8.243","0.002","27.085","0.008","90","","108.789","0.005","90","","5669","3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H51 Cl3 N2 O8 -","- C70 H51 Cl3 N2 O8 -","- C280 H204 Cl12 N8 O32 -","4","1","","Ding, Lin; Li, Hai-Bin; Lei, Ting; Ying, Han-Ze; Wang, Rui-Bo; Zhou, Yan; Su, Zhong-Min; Pei, Jian","Alkylene-Chain Effect on Microwire Growth and Crystal Packing of π-Moieties","Chemistry of Materials","2012","24","10","1944","","10.1021/cm300747v","","","0.71073","MoKα","","0.1135","0.0841","","","0.1603","0.173","","","","","","1.185","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001966","7.5434","0.0002","14.826","0.0003","7.8284","0.0002","90","","90","","90","","875.52","0.04","94","2","94","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.25 Gd4.75 Ge4 -","- Eu0.25 Gd4.75 Ge4 -","- Eu Gd19 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0503","0.0353","","","0.0675","0.0721","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001967","7.5993","0.0006","15.2558","0.0015","8.0218","0.0006","90","","90","","90","","929.99","0.14","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Gd4 Ge4 -","- Eu Gd4 Ge4 -","- Eu4 Gd16 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0819","0.0381","","","0.043","0.049","","","","","","0.889","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001968","7.676","0.0004","14.7819","0.0008","7.7738","0.0003","90","","90","","90","","882.06","0.07","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0315","0.0211","","","0.0308","0.0324","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001969","7.5669","0.0008","14.9047","0.0015","7.8648","0.0008","90","","90","","90","","887.01","0.16","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.5 Gd4.5 Ge4 -","- Eu0.5 Gd4.5 Ge4 -","- Eu2 Gd18 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0319","0.0249","","","0.0479","0.0503","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001970","7.6327","0.0012","14.909","0.0019","7.8481","0.0007","90","","90","","92.976","0.012","891.9","0.2","293","2","293","2","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","","","- Eu0.5 Gd4.5 Ge4 -","- Eu0.5 Gd4.5 Ge4 -","- Eu2 Gd18 Ge16 -","4","1","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.1343","0.0468","","","0.0559","0.073","","","","","","0.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001971","7.6781","0.0006","14.8416","0.0014","7.7797","0.0007","90","","90","","90","","886.54","0.13","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu0.25 Gd4.75 Ge4 -","- Eu0.25 Gd4.75 Ge4 -","- Eu Gd19 Ge16 -","4","0.5","","Yao, Jinlei; Wang, Peng; Mozharivskyj, Yurij","Tuning Magnetic and Structural Transitions through Valence Electron Concentration in the Giant Magnetocaloric Gd5‒xEuxGe4Phases","Chemistry of Materials","2012","24","3","552","","10.1021/cm203148e","","","0.71073","MoKα","","0.0649","0.0386","","","0.0515","0.0555","","","","","","0.96","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001972","13.581","0.0015","9.9251","0.001","10.0151","0.0008","90","","90","","90","","1350","0.2","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.42 Gd1.33 Mn0.92 -","- Au3.406 Gd1.33333 Mn0.927333 -","- Au40.872 Gd16 Mn11.128 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0488","0.0326","","","0.0663","0.0734","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001973","13.5713","0.0007","9.9291","0.0004","10.0213","0.0005","90","","90","","90","","1350.38","0.11","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.42 Gd1.33 Mn0.91 -","- Au3.42467 Gd1.33333 Mn0.908667 -","- Au41.096 Gd16 Mn10.904 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0573","0.0343","","","0.0692","0.0751","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001974","13.5583","0.0019","9.9263","0.0011","10.0519","0.0013","90","","90","","90","","1352.8","0.3","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.54 Gd1.33 Mn0.79 -","- Au3.542 Gd1.33333 Mn0.791333 -","- Au42.504 Gd16 Mn9.496 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0391","0.0317","","","0.0724","0.0758","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001975","13.5024","0.0009","9.9189","0.0007","10.0646","0.0005","90","","90","","90","","1347.94","0.15","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.67 Gd1.33 Mn0.67 -","- Au3.65867 Gd1.33333 Mn0.674667 -","- Au43.904 Gd16 Mn8.096 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0577","0.0361","","","0.0638","0.0698","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001976","13.4944","0.0019","9.9103","0.0013","9.9644","0.0013","90","","90","","90","","1332.6","0.3","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.42 Mn0.92 Y1.33 -","- Au3.39867 Mn0.934667 Y1.33333 -","- Au40.784 Mn11.216 Y16 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0788","0.0517","","","0.104","0.1169","","","","","","1.02","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001977","13.484","0.003","9.908","0.003","9.971","0.003","90","","90","","90","","1332.1","0.6","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.44 Mn0.89 Y1.33 -","- Au3.444 Mn0.889333 Y1.33333 -","- Au41.328 Mn10.672 Y16 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0853","0.0645","","","0.1351","0.1177","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001978","13.4774","0.0009","9.8922","0.0008","9.9814","0.0007","90","","90","","90","","1330.73","0.17","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Au3.46 Mn0.88 Y1.33 -","- Au3.46267 Mn0.870667 Y1.33333 -","- Au41.552 Mn10.448 Y16 -","12","","","Samal, Saroj L.; Pandey, Abhishek; Johnston, David C.; Corbett, John D.; Miller, Gordon J.","Taking Advantage of Gold’s Electronegativity inR4Mn3‒xAu10+x(R= Gd or Y; 0.2 ≤x≤ 1)","Chemistry of Materials","2014","26","10","3209","","10.1021/cm500871c","","","0.71073","MoKα","","0.0702","0.0489","","","0.1151","0.1271","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001979","11.16","0.0016","11.16","0.0016","12.865","0.003","90","","90","","90","","1602.3","0.5","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","Clacium litho nitridoaluminate","Clacium litho nitridoaluminate","","- Al3 Ca Li N4 -","- Al3 Ca Li N4 -","- Al48 Ca16 Li16 N64 -","16","1","","Pust, Philipp; Wochnik, Angela S.; Baumann, Elen; Schmidt, Peter J.; Wiechert, Detlef; Scheu, Christina; Schnick, Wolfgang","Ca[LiAl3N4]:Eu2+—A Narrow-Band Red-Emitting Nitridolithoaluminate","Chemistry of Materials","2014","26","11","3544","","10.1021/cm501162n","","","0.71073","MoKα","","0.0341","0.0303","","","0.0762","0.0787","","","","","","1.072","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001981","7.27159","","7.52962","","7.9625","","89.5496","","91.0516","","63.0123","","388.361","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- F4 Fe4 Li8 O16 P4 -","- F4 Fe4 Li8 O16 P4 -","- F4 Fe4 Li8 O16 P4 -","1","0.5","","Mueller, Tim; Hautier, Geoffroy; Jain, Anubhav; Ceder, Gerbrand","Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing","Chemistry of Materials","2011","23","17","3854","","10.1021/cm200753g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001982","5.45338","","7.51205","","5.33977","","108.606","","95.8897","","107.392","","193.039","","","","","","","","","","","","","5","P 1","P 1","1","","","","- F2 Fe2 Li4 O8 P2 -","- F2 Fe2 Li4 O8 P2 -","- F2 Fe2 Li4 O8 P2 -","1","1","","Mueller, Tim; Hautier, Geoffroy; Jain, Anubhav; Ceder, Gerbrand","Evaluation of Tavorite-Structured Cathode Materials for Lithium-Ion Batteries Using High-Throughput Computing","Chemistry of Materials","2011","23","17","3854","","10.1021/cm200753g","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001985","14.638","0.002","19.642","0.003","20.303","0.003","90","","90","","90","","5837.5","1.5","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H27 Al N4 O3 -","- C36 H27 Al N4 O3 -","- C288 H216 Al8 N32 O24 -","8","1","","Lin, Na; Qiao, Juan; Duan, Lian; Xue, Jie; Wang, Liduo","Rational Design of Chelated Aluminum Complexes toward Highly Efficient and Thermally Stable Electron-Transporting Materials","Chemistry of Materials","2014","26","12","3693","","10.1021/cm5011604","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001986","10.432","0.002","11.273","0.002","15.005","0.003","109.99","0.03","90.72","0.03","97.22","0.03","1642.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H27 Al N5 O3 -","- C41 H30 Al N5 O3 -","- C82 H60 Al2 N10 O6 -","2","1","","Lin, Na; Qiao, Juan; Duan, Lian; Xue, Jie; Wang, Liduo","Rational Design of Chelated Aluminum Complexes toward Highly Efficient and Thermally Stable Electron-Transporting Materials","Chemistry of Materials","2014","26","12","3693","","10.1021/cm5011604","","","0.71073","MoKα","","0.0952","0.0742","","","0.1937","0.2106","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001987","8.0778","0.0001","8.0778","0.0001","8.0778","0.0001","90","","90","","90","","527.083","0.011","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- F6 Ni3 O6 Sb4 -","- F6 Ni3 O6 Sb4 -","- F12 Ni6 O12 Sb8 -","2","0.0416667","","Hu, Shichao; Johnsson, Mats; Lemmens, Peter; Schmid, Daniel; Menzel, Dirk; Tapp, Joshua; Möller, Angela","Acentric Pseudo-Kagome Structures: The Solid Solution (Co1‒xNix)3Sb4O6F6","Chemistry of Materials","2014","26","12","3631","","10.1021/cm500339z","","","0.71073","MoKα","","0.0103","0.0098","","","0.0246","0.0247","","","","","","1.347","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001988","8.176","0.001","8.176","0.001","8.176","0.001","90","","90","","90","","546.54","0.12","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Co3 F6 O6 Sb4 -","- Co3 F6 O6 Sb4 -","- Co6 F12 O12 Sb8 -","2","0.0416667","","Hu, Shichao; Johnsson, Mats; Lemmens, Peter; Schmid, Daniel; Menzel, Dirk; Tapp, Joshua; Möller, Angela","Acentric Pseudo-Kagome Structures: The Solid Solution (Co1‒xNix)3Sb4O6F6","Chemistry of Materials","2014","26","12","3631","","10.1021/cm500339z","","","0.71073","MoKα","","0.0148","0.0148","","","0.038","0.038","","","","","","1.065","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001989","4.0216","0.0002","4.0216","0.0002","10.1798","0.0005","90","","90","","90","","164.641","0.014","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.78 Pr -","- As2 Co1.782 Pr -","- As4 Co3.564 Pr2 -","2","0.0625","","Thompson, Corey M.; Tan, Xiaoyan; Kovnir, Kirill; Garlea, V. Ovidiu; Gippius, Andrei A.; Yaroslavtsev, Alexander A.; Menushenkov, Alexey P.; Chernikov, Roman V.; Büttgen, Norbert; Krätschmer, Wolfgang; Zubavichus, Yan V.; Shatruk, Michael","Synthesis, Structures, and Magnetic Properties of Rare-Earth Cobalt Arsenides, RCo2As2(R = La, Ce, Pr, Nd)","Chemistry of Materials","2014","26","12","3825","","10.1021/cm501522v","","","0.71073","MoKα","","0.0207","0.0201","","","0.0518","0.052","","","","","","1.585","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001990","4.0494","0.0003","4.0494","0.0003","10.4987","0.0008","90","","90","","90","","172.15","0.02","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- As2 Bi0.03 Co1.91 La0.97 -","- As2 Bi0.032 Co1.916 La0.969 -","- As4 Bi0.064 Co3.832 La1.938 -","2","0.0625","","Thompson, Corey M.; Tan, Xiaoyan; Kovnir, Kirill; Garlea, V. Ovidiu; Gippius, Andrei A.; Yaroslavtsev, Alexander A.; Menushenkov, Alexey P.; Chernikov, Roman V.; Büttgen, Norbert; Krätschmer, Wolfgang; Zubavichus, Yan V.; Shatruk, Michael","Synthesis, Structures, and Magnetic Properties of Rare-Earth Cobalt Arsenides, RCo2As2(R = La, Ce, Pr, Nd)","Chemistry of Materials","2014","26","12","3825","","10.1021/cm501522v","","","0.71073","MoKα","","0.0201","0.0193","","","0.045","0.0456","","","","","","1.229","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001991","4.0309","0.0001","4.0309","0.0001","10.2591","0.0004","90","","90","","90","","166.691","0.009","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- As2 Bi0.05 Ce0.95 Co1.83 -","- As2 Bi0.042 Ce0.959 Co1.828 -","- As4 Bi0.084 Ce1.918 Co3.656 -","2","0.0625","","Thompson, Corey M.; Tan, Xiaoyan; Kovnir, Kirill; Garlea, V. Ovidiu; Gippius, Andrei A.; Yaroslavtsev, Alexander A.; Menushenkov, Alexey P.; Chernikov, Roman V.; Büttgen, Norbert; Krätschmer, Wolfgang; Zubavichus, Yan V.; Shatruk, Michael","Synthesis, Structures, and Magnetic Properties of Rare-Earth Cobalt Arsenides, RCo2As2(R = La, Ce, Pr, Nd)","Chemistry of Materials","2014","26","12","3825","","10.1021/cm501522v","","","0.71073","MoKα","","0.0197","0.0179","","","0.0405","0.041","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001992","21.231","0.004","23.026","0.005","24.026","0.005","90","","94.949","0.004","90","","11702","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H114 Cu3 N30 O34 P6 -","- C98 H90 Cu3 N30 O34 P6 -","- C392 H360 Cu12 N120 O136 P24 -","4","0.5","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.2151","0.093","","","0.2278","0.2868","","","","","","1.031","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001993","10.3","0.006","6.107","0.004","22.774","0.013","90","","93.104","0.012","90","","1430.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N4 O P -","- C16 H15 N4 O P -","- C64 H60 N16 O4 P4 -","4","1","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.1058","0.0697","","","0.167","0.188","","","","","","1.099","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001994","20.399","0.0018","20.399","0.0018","24.969","0.002","90","","90","","120","","8998.1","1.3","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C96 H118 Cl5 Cu3 N25 O43 P6 -","- C96 H90 Cl5 Cu3 N25 O42.9998 P6 -","- C288 H270 Cl15 Cu9 N75 O128.999 P18 -","3","0.333333","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.1007","0.0607","","","0.1339","0.1543","","","","","","1.012","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001995","20.8422","0.0011","23.7059","0.0012","38.839","0.002","90","","103.819","0.003","90","","18634.3","1.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C144 H163 Cu4 N44 O47 P9 -","- C144 H135 Cu4 N41 O28 P9 -","- C576 H540 Cu16 N164 O112 P36 -","4","1","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","1.54178","CuKα","","0.1994","0.1434","","","0.4063","0.4299","","","","","","1.375","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001996","21.364","0.003","22.855","0.003","33.322","0.005","90","","91.641","0.003","90","","16264","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H148 Cu4 N40 O46 P8 -","- C128 H120 Cu4 N38 O36.5 P8 -","- C512 H480 Cu16 N152 O146 P32 -","4","1","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.258","0.1156","","","0.3109","0.3633","","","","","","0.933","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001997","20.565","0.002","20.565","0.002","50.106","0.004","90","","90","","120","","18352","3","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C65 H78 Cl4 Cu2 N16 O28 P4 -","- C65 H64 Cl4 Cu2 N16 O28 P4 -","- C585 H576 Cl36 Cu18 N144 O252 P36 -","9","1","","Srivastava, Anant Kumar; Praveenkumar, B.; Mahawar, Indra Kumar; Divya, Pillutla; Shalini, S.; Boomishankar, Ramamoorthy","Anion Driven [CuIIL2]nFrameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties","Chemistry of Materials","2014","26","12","3811","","10.1021/cm5014575","","","0.71073","MoKα","","0.0641","0.0594","","","0.1611","0.1673","","","","","","1.026","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001998","6.1264","0.0004","6.1264","0.0004","5.6914","0.0004","90","","90","","120","","185","0.02","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","neodymium chromium trigermanide","neodymium chromium germanide (1/1/3)","","- Cr Ge3 Nd -","- Cr Ge3 Nd -","- Cr2 Ge6 Nd2 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0235","0.0235","","","0.0636","0.0636","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001999","6.1416","0.0006","6.1416","0.0006","5.7039","0.0005","90","","90","","120","","186.32","0.03","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","praseodymium chromium trigermanide","praseodymium chromium germanide (1/1/3)","","- Cr Ge3 Pr -","- Cr Ge3 Pr -","- Cr2 Ge6 Pr2 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0323","0.0323","","","0.0748","0.0748","","","","","","1.334","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002000","6.15","0.002","6.15","0.002","5.7222","0.0019","90","","90","","120","","187.43","0.11","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","cerium chromium trigermanide","cerium chromium germanide (1/1/3)","","- Ce Cr Ge3 -","- Ce Cr Ge3 -","- Ce2 Cr2 Ge6 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0278","0.0278","","","0.0698","0.0698","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002001","6.2004","0.0007","6.2004","0.0007","5.766","0.0006","90","","90","","120","","191.98","0.04","295","2","295","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","lanthanum chromium trigermanide","lanthanum chromium germanide (1/1/3)","","- Cr Ge3 La -","- Cr Ge3 La -","- Cr2 Ge6 La2 -","2","0.0833333","","Bie, Haiying; Zelinska, Oksana Ya.; Tkachuk, Andriy V.; Mar, Arthur","Structures and Physical Properties of Rare-Earth Chromium Germanides RECrGe3(RE = La−Nd, Sm)","Chemistry of Materials","2007","19","18","4613","","10.1021/cm071276+","","","0.71073","MoKα","","0.0252","0.0235","","","0.0511","0.0521","","","","","","1.299","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002002","10.237","0.004","11.17","0.004","8.139","0.004","90","","91.51","0.02","90","","930.3","0.7","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Bis(N-n-butylpyrrolo[3,4-d])TTF","","","- C18 H22 N2 S4 -","- C18 H22 N2 S4 -","- C36 H44 N4 S8 -","2","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.0605","0.0444","","","0.1081","0.1168","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002003","9.929","0.004","10.846","0.005","12.603","0.003","90","","92.511","0.001","90","","1355.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Bis(N-n-octylpyrrolo[3,4-d])TTF","","","- C26 H38 N2 S4 -","- C26 H38 N2 S4 -","- C52 H76 N4 S8 -","2","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.0419","0.0339","","","0.096","0.1016","","","","","","1.021","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002004","4.659","0.004","7.68","0.008","23.82","0.02","80.75","0.03","83.92","0.03","85.96","0.03","835.3","1.3","200.2","","200","2","","","","","","","","4","P -1","-P 1","2","Bis(N-n-dodecylpyrrolo[3,4-d])TTF","","","- C34 H54 N2 S4 -","- C34 H54 N2 S4 -","- C34 H54 N2 S4 -","1","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.136","0.0827","","","0.2211","0.2749","","","","","","0.801","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002005","5.394","0.003","7.502","0.003","26.92","0.002","92.34","0.02","94.06","0.02","103.68","0.02","1053.9","0.7","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Bis(N-n-cetylpyrrolo[3,4-d])TTF","","","- C42 H70 N2 S4 -","- C42 H70 N2 S4 -","- C42 H70 N2 S4 -","1","0.5","","Doi, Iori; Miyazaki, Eigo; Takimiya, Kazuo; Kunugi, Yoshihito","Development ofN-Alkyl-Substituted Bis(pyrrolo[3,4-d])tetrathiafulvalenes as Organic Semiconductors for Solution-Processible Field-Effect Transistors","Chemistry of Materials","2007","19","22","5230","","10.1021/cm070956+","","","0.71069","MoKα","","0.0852","0.0564","","","0.1556","0.1777","","","","","","0.928","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002006","19.879","0.011","17.167","0.008","25.55","0.01","90","","112.315","0.003","90","","8066","7","90.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H48 N Ni S8 Se4 -","- C32 H48 N Ni S8 Se4 -","- C256 H384 N8 Ni8 S64 Se32 -","8","2","","Fujiwara, Emiko; Yamamoto, Kimiko; Shimamura, Mina; Zhou, Biao; Kobayashi, Akiko; Takahashi, Kazuyuki; Okano, Yoshinori; Cui, Hengbo; Kobayashi, Hayao","(nBu4N)[Ni(dmstfdt)2]: A Planar Nickel Coordination Complex with an Extended-TTF Ligand Exhibiting Metallic Conduction, Metal‒Insulator Transition, and Weak Ferromagnetism","Chemistry of Materials","2007","19","3","553","","10.1021/cm062131q","","","0.7107","MoKα","","","0.1","","","","0.131","","","","","","1.344","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002007","42.18","0.05","5.898","0.007","19.17","0.03","90","","99.78","0.06","90","","4700","11","93.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H14 F6 N2 S2 Se -","- C28 H14 F6 N2 S2 Se -","- C224 H112 F48 N16 S16 Se8 -","8","1","","Kono, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Sakanoue, Tomo; Kakita, Motoyasu; Tada, Hirokazu; Tokito, Shizuo; Yamashita, Yoshiro","High-Performance and Light-Emitting n-Type Organic Field-Effect Transistors Based on Dithienylbenzothiadiazole and Related Heterocycles","Chemistry of Materials","2007","19","6","1218","","10.1021/cm062889+","","","0.7107","MoKα","","","0.0354","","","","0.087","","","","","","0.801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002008","40.89","0.05","6.142","0.009","19.32","0.02","90","","100.44","0.05","90","","4772","10","93.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 F6 N2 S2 -","- C30 H16 F6 N2 S2 -","- C240 H128 F48 N16 S16 -","8","1","","Kono, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Sakanoue, Tomo; Kakita, Motoyasu; Tada, Hirokazu; Tokito, Shizuo; Yamashita, Yoshiro","High-Performance and Light-Emitting n-Type Organic Field-Effect Transistors Based on Dithienylbenzothiadiazole and Related Heterocycles","Chemistry of Materials","2007","19","6","1218","","10.1021/cm062889+","","","0.7107","MoKα","","","0.0498","","","","0.1137","","","","","","0.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002009","7.308","0.0004","9.315","0.0005","3.498","0.0002","90","","90","","90","","238.12","0.02","298","2","298","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- Al B4 Si Yb -","- Al B4 Yb -","- Al4 B16 Yb4 -","4","0.25","","Macaluso, Robin T.; Nakatsuji, Satoru; Kuga, Kentaro; Thomas, Evan Lyle; Machida, Yo; Maeno, Yoshiteru; Fisk, Zachary; Chan, Julia Y.","Crystal Structure and Physical Properties of Polymorphs of LnAlB4(Ln = Yb, Lu)","Chemistry of Materials","2007","19","8","1918","","10.1021/cm062244+","","","0.71073","MoKα","","0.0568","0.0568","","","0.1227","0.1227","","","","","","1.151","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002010","7.289","0.0003","9.286","0.0005","3.504","0.0002","90","","90","","90","","237.17","0.02","298","2","298","2","","","","","","","","3","C m m m","-C 2 2","65","","","","- Al1.33 B5.33 Lu1.33 -","- Al1.33333 B5.33333 Lu1.33333 -","- Al4 B16 Lu4 -","3","0.1875","","Macaluso, Robin T.; Nakatsuji, Satoru; Kuga, Kentaro; Thomas, Evan Lyle; Machida, Yo; Maeno, Yoshiteru; Fisk, Zachary; Chan, Julia Y.","Crystal Structure and Physical Properties of Polymorphs of LnAlB4(Ln = Yb, Lu)","Chemistry of Materials","2007","19","8","1918","","10.1021/cm062244+","","","0.71073","MoKα","","0.041","0.041","","","0.0986","0.0986","","","","","","1.185","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002011","5.905","0.0001","11.444","0.0002","3.51","0.0004","90","","90","","90","","237.19","0.03","299","2","299","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al1.33 B5.33 Lu1.33 -","- Al1.33333 B5.33333 Lu1.33333 -","- Al4 B16 Lu4 -","3","0.375","","Macaluso, Robin T.; Nakatsuji, Satoru; Kuga, Kentaro; Thomas, Evan Lyle; Machida, Yo; Maeno, Yoshiteru; Fisk, Zachary; Chan, Julia Y.","Crystal Structure and Physical Properties of Polymorphs of LnAlB4(Ln = Yb, Lu)","Chemistry of Materials","2007","19","8","1918","","10.1021/cm062244+","","","0.71073","MoKα","","0.0257","0.0249","","","0.0624","0.063","","","","","","1.234","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002012","5.922","0.0002","11.473","0.0003","3.506","0.0005","90","","90","","90","","238.21","0.04","298","2","298","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al B4 Yb -","- Al B4 Yb -","- Al4 B16 Yb4 -","4","0.5","","Macaluso, Robin T.; Nakatsuji, Satoru; Kuga, Kentaro; Thomas, Evan Lyle; Machida, Yo; Maeno, Yoshiteru; Fisk, Zachary; Chan, Julia Y.","Crystal Structure and Physical Properties of Polymorphs of LnAlB4(Ln = Yb, Lu)","Chemistry of Materials","2007","19","8","1918","","10.1021/cm062244+","","","0.71073","MoKα","","0.0573","0.053","","","0.1368","0.1423","","","","","","0.996","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002013","13.7195","0.0001","35.2245","0.0006","22.1362","0.0001","90","","90","","90","","10697.6","0.2","","","295","","","","","","","","","5","F m m 2","F 2 -2","42","SSZ-45","","","- C88 H168 N16 O400 Si200 -","- C88 H168 N16 O400 Si200 -","- C88 H168 N16 O400 Si200 -","1","0.0625","","Smeets, Stef; Xie, Dan; McCusker, Lynne B.; Baerlocher, Christian; Zones, Stacey I.; Thompson, Joshua A.; Lacheen, Howard S.; Huang, Hua-Min","SSZ-45: A High-Silica Zeolite with Small Pore Openings, Large Cavities, and Unusual Adsorption Properties","Chemistry of Materials","2014","26","13","3909","3913","10.1021/cm501176j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4002014","41.604","0.006","41.604","0.006","40.246","0.005","90","","90","","120","","60329","14","193","2","193","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C93 H106 Eu In N6 O22 -","- C63 H35 Eu In O16 -","- C1134 H630 Eu18 In18 O288 -","18","1","","Sava Gallis, Dorina F.; Rohwer, Lauren E. S.; Rodriguez, Mark A.; Nenoff, Tina M.","Correction to Efficient Photoluminescence via Metal‒Ligand Alteration in a New MOFs Family","Chemistry of Materials","2014","26","13","4044","","10.1021/cm5019376","","","0.71073","MoKα","","0.1639","0.1173","","","0.3182","0.3508","","","","","","1.145","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002015","18.917","0.002","5.0175","0.0006","17.6728","0.0019","90","","95.137","0.006","90","","1670.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N2 O2 S2 -","- C42 H42 N2 O2 S2 -","- C84 H84 N4 O4 S4 -","2","0.5","","He, Bo; Pun, Andrew B.; Klivansky, Liana M.; McGough, Alexandra M.; Ye, Yifan; Zhu, Junfa; Guo, Jinghua; Teat, Simon J.; Liu, Yi","Thiophene Fused Azacoronenes: Regioselective Synthesis, Self-Organization, Charge Transport and Its Incorporation in Conjugated Polymers","Chemistry of Materials","2014","26","13","3920","","10.1021/cm5018272","","","0.7749","synchrotron","","0.0673","0.055","","","0.1429","0.1529","","","","","","1.043","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4002016","9.1967","0.0001","23.6789","0.0005","10.7839","0.0002","90","","92.109","0.001","90","","2346.79","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-diphenyl-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C25 H26 N2 O3 Sn -","- C25 H26 N2 O3 Sn -","- C100 H104 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0514","0.0349","","","0.09","0.1022","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002017","10.4084","0.0001","12.4262","0.0001","21.8325","0.0002","90","","90","","90","","2823.75","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((1-methyl)propyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C29 H34 N2 O3 Sn -","- C29 H34 N2 O3 Sn -","- C116 H136 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0299","0.0259","","","0.064","0.0669","","","","","","1.092","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002018","9.9176","0.0001","13.6235","0.0002","20.3957","0.0004","90","","90","","90","","2755.71","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-(1-methylsufanyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C28 H32 N2 O3 S Sn -","- C28 H32 N2 O3 S Sn -","- C112 H128 N8 O12 S4 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0464","0.0325","","","0.0655","0.0711","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002019","10.3454","0.0001","12.6901","0.0002","21.4191","0.0004","90","","90","","90","","2811.99","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((2-methyl)propyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C29 H34 N2 O3 Sn -","- C29 H34 N2 O3 Sn -","- C116 H136 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0502","0.0315","","","0.062","0.0684","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002020","10.6965","0.0002","12.8584","0.0002","20.0495","0.0003","90","","90","","90","","2757.61","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((1-methyl)ethyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C28 H32 N2 O3 Sn -","- C28 H32 N2 O3 Sn -","- C112 H128 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0538","0.0361","","","0.0739","0.082","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002021","12.5776","0.0004","19.7185","0.0008","13.8892","0.0005","90","","93.471","0.001","90","","3438.4","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N14 O7 Tb W -","- C26 H31 N14 O7 Tb W -","- C104 H124 N56 O28 Tb4 W4 -","4","1","","Chorazy, Szymon; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Green to Red Luminescence Switchable by Excitation Light in Cyanido-Bridged TbIII‒WVFerromagnet","Chemistry of Materials","2014","26","14","4072","","10.1021/cm501954e","","","0.71075","MoKα","","0.0829","0.0484","","","0.0864","0.097","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002022","9.5928","0.0002","21.3991","0.0005","5.8889","0.0002","90","","90","","90","","1208.86","0.06","299","2","299","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Al7 Ba4.75 Eu0.25 N25 Si11 -","- Al7.0002 Ba4.75 Eu0.25 N25 Si10.9998 -","- Al14.0004 Ba9.5 Eu0.5 N50 Si21.9996 -","2","0.25","","Hirosaki, Naoto; Takeda, Takashi; Funahashi, Shiro; Xie, Rong-Jun","Discovery of New Nitridosilicate Phosphors for Solid State Lighting by the Single-Particle-Diagnosis Approach","Chemistry of Materials","2014","26","14","4280","","10.1021/cm501866x","","","0.71073","MoKα","","0.0353","0.0244","","","","0.0535","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002023","5.8465","0.0004","26.7255","0.0018","5.8386","0.0004","90","","118.897","0.001","90","","798.7","0.09","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Al3 Ba0.84 Eu0.16 N9 Si4 -","- Al3.0006 Ba0.841 Eu0.159 N9 Si4.0004 -","- Al12.0024 Ba3.364 Eu0.636 N36 Si16.0016 -","4","1","","Hirosaki, Naoto; Takeda, Takashi; Funahashi, Shiro; Xie, Rong-Jun","Discovery of New Nitridosilicate Phosphors for Solid State Lighting by the Single-Particle-Diagnosis Approach","Chemistry of Materials","2014","26","14","4280","","10.1021/cm501866x","","","0.71073","MoKα","","0.035","0.0253","","","","0.0681","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002024","9.20688","0.00009","9.10175","0.00009","13.7119","0.00016","90","","90","","90","","1149.04","0.02","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","orthorhombic lithium cobalt sulfate","orthorhombic lithium cobalt sulfate","","- Co Li2 O8 S2 -","- Co Li2 O8 S2 -","- Co8 Li16 O64 S16 -","8","1","","Lander, Laura; Reynaud, Marine; Rousse, Gwenaëlle; Sougrati, Moulay T.; Laberty-Robert, Christel; Messinger, Robert J.; Deschamps, Michaël; Tarascon, Jean-Marie","Synthesis and Electrochemical Performance of the Orthorhombic Li2Fe(SO4)2Polymorph for Li-Ion Batteries","Chemistry of Materials","2014","26","14","4178","","10.1021/cm5012845","powder diffraction","","1.78901","CoKα","","","","","","","","","1.9868","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002025","9.348","0.003","23.74","0.007","11.388","0.004","90","","104.51","0.006","90","","2446.6","1.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 O -","- C33 H24 O -","- C132 H96 O4 -","4","1","","Ma, Ji; Lin, Tingting; Pan, Xiaoyong; Wang, Weizhi","Graphene-like Molecules Based on Tetraphenylethene Oligomers: Synthesis, Characterization, and Applications","Chemistry of Materials","2014","26","14","4221","4229","10.1021/cm501590w","","","0.71073","MoKα","","0.0886","0.0554","","","0.1268","0.1466","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002026","42.75","0.02","5.584","0.003","24.009","0.013","90","","107.239","0.01","90","","5474","5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C66 H48 -","- C66 H48 -","- C264 H192 -","4","0.5","","Ma, Ji; Lin, Tingting; Pan, Xiaoyong; Wang, Weizhi","Graphene-like Molecules Based on Tetraphenylethene Oligomers: Synthesis, Characterization, and Applications","Chemistry of Materials","2014","26","14","4221","","10.1021/cm501590w","","","0.71073","MoKα","","0.1546","0.0578","","","0.1121","0.1317","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002027","8.9848","0.0009","10.0585","0.001","13.0237","0.0013","82.866","0.002","75.195","0.002","78.641","0.002","1112.24","0.19","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","1-(4-(1,2-bis(methoxycarbonyl)phen-5-oxy)butyl) -3-methylimidazolium hexa-fluorophosphate","","- C18 H23 F6 N2 O5 P -","- C18 H23 F6 N2 O5 P -","- C36 H46 F12 N4 O10 P2 -","2","1","","Brandel, Clément; Gbabode, Gabin; Cartigny, Yohann; Martin, Claudette; Gouhier, Géraldine; Petit, Samuel; Coquerel, Gérard","Crystal Growth, Structure, and Polymorphic Behavior of an Ionic Liquid: Phthalate Derivative ofN-Butyl,N-methylimidazolium Hexafluorophosphate","Chemistry of Materials","2014","26","14","4151","","10.1021/cm501220x","","x-ray","0.71073","MoKα","","0.0836","0.0645","","","0.1522","0.1649","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4002028","41.199","0.004","41.199","0.004","5.776","0.0005","90","","90","","90","","9803.9","1.6","298","2","298","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- C34 H24 -","- C34 H24 -","- C544 H384 -","16","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.1109","0.0481","","","0.1062","0.1342","","","","","","1.008","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002029","13.7789","0.0017","9.4646","0.0012","19.552","0.003","90","","109.107","0.002","90","","2409.3","0.6","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.0745","0.0582","","","0.1536","0.1751","","","","","","1.059","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002030","9.7985","0.0014","11.7195","0.0017","13.649","0.002","87.418","0.002","69.712","0.002","79.112","0.002","1443.3","0.4","298","2","298","2","","","","","","","","2","P -1","-P 1","2","","","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.0607","0.047","","","0.1496","0.1777","","","","","","1.034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002031","9.6966","0.0008","11.6563","0.0009","13.4072","0.001","87.669","0.001","70.561","0.001","79.684","0.001","1405.6","0.19","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.0545","0.046","","","0.1324","0.1438","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002032","11.1338","0.0017","11.7377","0.0018","13.64","0.002","99.497","0.002","106.951","0.002","114.788","0.002","1460.9","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42.5 H29 Cl -","- C42.5 H29 Cl -","- C85 H58 Cl2 -","2","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.0646","0.0596","","","0.1857","0.1906","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4002033","11.171","0.003","11.66","0.003","13.685","0.004","99.793","0.004","107.008","0.003","114.141","0.004","1467.3","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C43 H32 O -","- C43 H32 O -","- C86 H64 O2 -","2","1","","Zhang, Guo-Feng; Wang, Hongfeng; Aldred, Matthew P.; Chen, Tao; Chen, Ze-Qiang; Meng, Xianggao; Zhu, Ming-Qiang","General Synthetic Approach toward Geminal-Substituted Tetraarylethene Fluorophores with Tunable Emission Properties: X-ray Crystallography, Aggregation-Induced Emission and Piezofluorochromism","Chemistry of Materials","2014","26","15","4433","","10.1021/cm501414b","","","0.71073","MoKα","","0.0821","0.0557","","","0.1503","0.1698","","","","","","1.031","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002034","8.56294","0.00008","8.56294","0.00008","22.7703","0.0003","90","","90","","90","","1669.61","0.03","99.99","0.1","99.97","0.11","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- H22 N4 O3 S6 Sn2 -","- H22 N4 O3 S6 Sn2 -","- H88 N16 O12 S24 Sn8 -","4","0.5","","Nørby, Peter; Overgaard, Jacob; Christensen, Per S.; Richter, Bo; Song, Xin; Dong, Mingdong; Han, Anpan; Skibsted, Jørgen; Iversen, Bo B.; Johnsen, Simon","(NH4)4Sn2S6·3H2O: Crystal Structure, Thermal Decomposition, and Precursor for Textured Thin Film","Chemistry of Materials","2014","26","15","4494","","10.1021/cm501681r","","","0.71073","MoKα","","0.0185","0.0162","","","0.0313","0.0322","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002035","8.067","0.008","23.1","0.02","4.34","0.004","90","","90","","90","","808.7","1.3","110","2","110","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C12 F6 I4 -","- C12 F6 I4 -","- C24 F12 I8 -","2","0.5","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.027","0.0261","","","0.0706","0.0712","","","","","","1.161","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002036","16.691","0.011","7.314","0.005","11.161","0.007","90","","111.11","0.006","90","","1271.1","1.4","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Br4 -","- C12 H6 Br4 -","- C48 H24 Br16 -","4","0.5","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.0352","0.0289","","","0.0669","0.0687","","","","","","1.075","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002037","13.334","0.003","20.948","0.004","15.971","0.003","90","","114.402","0.002","90","","4062.5","1.4","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 I4 -","- C18 H18 I4 -","- C144 H144 I32 -","8","2","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.0342","0.0247","","","0.0467","0.0494","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002038","13.044","0.005","6.284","0.003","12.147","0.006","90","","108.793","0.007","90","","942.6","0.7","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 F6 -","- C12 H4 F6 -","- C48 H16 F24 -","4","0.5","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.0396","0.0336","","","0.0948","0.0974","","","","","","1.097","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002039","12.997","0.006","13.035","0.006","13.301","0.006","90","","91.472","0.005","90","","2252.7","1.8","110","2","110","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H18 I4 O4 -","- C18 H18 I4 O4 -","- C72 H72 I16 O16 -","4","1","","Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai","Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area","Chemistry of Materials","2014","26","15","4589","","10.1021/cm501922h","","","0.71073","MoKα","","0.0419","0.0399","","","0.0919","0.093","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002040","9.8153","0.0003","10.5285","0.0004","13.4153","0.0005","70.642","0.001","69.211","0.001","65.595","0.001","1152.13","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-{(Z)-2-[(E)-3-(5-Dibutylamino-thiophene-2-yl)-allylidene]- 3-oxo-indan-1-ylidene}-malononitrile","","- C27 H27 N3 O S -","- C27 H27 N3 O S -","- C54 H54 N6 O2 S2 -","2","1","","Zitzler-Kunkel, André; Lenze, Martin R.; Kronenberg, Nils M.; Krause, Ana-Maria; Stolte, Matthias; Meerholz, Klaus; Würthner, Frank","NIR-Absorbing Merocyanine Dyes for BHJ Solar Cells","Chemistry of Materials","2014","26","16","4856","","10.1021/cm502302s","","","1.54178","CuKα","","0.0336","0.0313","","","0.0795","0.0811","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002041","8.4959","0.0004","10.8732","0.0005","14.5478","0.0006","98.914","0.002","103.321","0.002","93.11","0.002","1286.27","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Z)-1-Benzyl-5-[(E)-3-(5-dibutylamino-thiophene-2-yl)-allylidene]- 4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile","","- C29 H33 N3 O2 S -","- C29 H33 N3 O2 S -","- C58 H66 N6 O4 S2 -","2","1","","Zitzler-Kunkel, André; Lenze, Martin R.; Kronenberg, Nils M.; Krause, Ana-Maria; Stolte, Matthias; Meerholz, Klaus; Würthner, Frank","NIR-Absorbing Merocyanine Dyes for BHJ Solar Cells","Chemistry of Materials","2014","26","16","4856","","10.1021/cm502302s","","","1.54178","CuKα","","0.0366","0.0335","","","0.0884","0.0911","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002042","8.1665","0.0012","11.646","0.0016","13.6587","0.0019","107.664","0.005","102.114","0.006","96.172","0.006","1189.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-Benzyl-(5-dibutylamino-thiophene-2-yl-methylene)-4-methyl-2,6-dioxo- 1,2,5,6-tetrahydropyridine-3-carbonitrile","","- C27 H31 N3 O2 S -","- C27 H31 N3 O2 S -","- C54 H62 N6 O4 S2 -","2","1","","Zitzler-Kunkel, André; Lenze, Martin R.; Kronenberg, Nils M.; Krause, Ana-Maria; Stolte, Matthias; Meerholz, Klaus; Würthner, Frank","NIR-Absorbing Merocyanine Dyes for BHJ Solar Cells","Chemistry of Materials","2014","26","16","4856","","10.1021/cm502302s","","","1.54178","CuKα","","0.0408","0.0372","","","0.0994","0.1026","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002043","26.2498","0.0004","26.2498","0.0004","26.2498","0.0004","90","","90","","90","","18087.5","0.5","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+cyclohexane","","","- C27 H25.32 Cu3 O12.66 -","- C27 H7.26 Cu3 O12.624 -","- C432 H116.16 Cu48 O201.984 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0563","0.0487","","","0.1878","0.1984","","","","","","1.237","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002044","26.3758","0.0013","26.3758","0.0013","26.3758","0.0013","90","","90","","90","","18349.2","1.6","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+THF","","","- C32 H20 Cu3 O15.5 -","- C30 H18 Cu3 O15.5 -","- C480 H288 Cu48 O248 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0567","0.0475","","","0.1977","0.2041","","","","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002045","26.3164","0.0008","26.3164","0.0008","26.3164","0.0008","90","","90","","90","","18225.5","1","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+1PrOH","","","- C28.5 H34 Cu3 O15.5 -","- C27.178 H6 Cu3 O15.5 -","- C434.848 H96 Cu48 O248 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0498","0.0384","","","0.1214","0.1347","","","","","","1.106","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4002046","26.3011","0.0005","26.3011","0.0005","26.3011","0.0005","90","","90","","90","","18193.7","0.6","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+toluene","","","- C28.5 H20.16 Cu3 O13.08 -","- C28.5 H8.16 Cu3 O13.068 -","- C456 H130.56 Cu48 O209.088 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.056","0.0448","","","0.1557","0.1684","","","","","","1.175","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002047","26.3238","0.0005","26.3238","0.0005","26.3238","0.0005","90","","90","","90","","18240.9","0.6","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+ethanol","","","- C28 H36 Cu3 O17 -","- C26.48 H6 Cu3 O16.248 -","- C423.68 H96 Cu48 O259.968 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.068","0.0532","","","0.155","0.1754","","","","","","1.099","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002048","26.3273","0.0006","26.3273","0.0006","26.3273","0.0006","90","","90","","90","","18248.2","0.7","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+MeOH","","","- C23 H26 Cu3 O17 -","- C23 H6 Cu3 O16.98 -","- C368 H96 Cu48 O271.68 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0434","0.0337","","","0.1016","0.1093","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002049","26.2843","0.0017","26.2843","0.0017","26.2843","0.0017","90","","90","","90","","18159","2","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+hexane","","","- C19 H12.28 Cu3 O13.11 -","- C21 H8.28 Cu3 O13.131 -","- C336 H132.48 Cu48 O210.096 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0645","0.0528","","","0.1854","0.1985","","","","","","1.255","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002050","26.3048","0.0007","26.3048","0.0007","26.3048","0.0007","90","","90","","90","","18201.4","0.8","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+H2O","","","- C18 H7.5 Cu3 O12.75 -","- C18 H7.62 Cu3 O12.807 -","- C288 H121.92 Cu48 O204.912 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0425","0.0315","","","0.0861","0.0927","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002051","26.3462","0.0005","26.3462","0.0005","26.3462","0.0005","90","","90","","90","","18287.5","0.6","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]+MeCN","","","- C24 H18 Cu3 N3 O13.5 -","- C23.98 H6 Cu3 N2.99 O13.467 -","- C383.68 H96 Cu48 N47.84 O215.472 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0538","0.0407","","","0.1252","0.1369","","","","","","1.17","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4002052","26.2711","0.0004","26.2711","0.0004","26.2711","0.0004","90","","90","","90","","18131.5","0.5","273","2","273","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","[Cu3(BTC)2]","","","- C18 H6 Cu3 O12 -","- C18 H6 Cu3 O12 -","- C288 H96 Cu48 O192 -","16","0.0833333","","Peterson, Vanessa K.; Southon, Peter D.; Halder, Gregory J.; Price, David J.; Bevitt, Joseph J.; Kepert, Cameron J.","Guest Adsorption in the Nanoporous Metal‒Organic Framework Cu3(1,3,5-Benzenetricarboxylate)2: CombinedIn SituX-ray Diffraction and Vapor Sorption","Chemistry of Materials","2014","26","16","4712","","10.1021/cm501138g","","","0.71073","MoKα","","0.0324","0.024","","","0.0612","0.0656","","","","","","1.123","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002053","18.945","0.004","18.945","0.004","27.561","0.01","90","","90","","90","","9892","5","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C6.5 H5.5 Cu0.5 N0 O2.5 -","- C6.5 H6 Cu0.5 O2.5 -","- C208 H192 Cu16 O80 -","32","1","","Li, Liangjun; Bell, Jon G.; Tang, Sifu; Lv, Xiaoxia; Wang, Chao; Xing, Yanlong; Zhao, Xuebo; Thomas, K. Mark","Gas Storage and Diffusion through Nanocages and Windows in Porous Metal‒Organic Framework Cu2(2,3,5,6-tetramethylbenzene-1,4-diisophthalate)(H2O)2","Chemistry of Materials","2014","26","16","4679","","10.1021/cm403697m","","","0.71073","MoKα","","0.1421","0.0678","","","0.1452","0.1552","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002054","16.235","0.003","6.352","0.0013","12.077","0.002","90","","131.1","0.03","90","","938.5","0.5","293","2","293","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","Molybdenum thiochloride","","- Cl6 Mo2 S2 -","- Cl6 Mo2 S2 -","- Cl24 Mo8 S8 -","4","0.5","","Islam, Saiful M.; Subrahmanyam, Kota S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.","One-Dimensional Molybdenum Thiochlorides and Their Use in High Surface Area MoSxChalcogels","Chemistry of Materials","2014","26","17","5151","","10.1021/cm5024579","","x-ray","0.71073","MoKα","","0.0606","0.045","","","0.0875","0.0921","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002055","13.956","0.003","11.141","0.002","13.011","0.003","90","","90","","90","","2023","0.7","293","2","293","2","","","","","","","synthesis as described","3","P n m a","-P 2ac 2n","62","","","","- Cl6 Mo2 S2 -","- Cl6 Mo2 S2 -","- Cl48 Mo16 S16 -","8","1","","Islam, Saiful M.; Subrahmanyam, Kota S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.","One-Dimensional Molybdenum Thiochlorides and Their Use in High Surface Area MoSxChalcogels","Chemistry of Materials","2014","26","17","5151","","10.1021/cm5024579","","x-ray","0.71073","MoKα","","0.0527","0.0252","","","0.0343","0.0379","","","","","","0.826","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002056","16.381","0.003","6.5399","0.0013","12.107","0.002","90","","130.85","0.03","90","","981.1","0.5","293","2","293","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- Cl3 Mo Se -","- Cl3 Mo Se -","- Cl24 Mo8 Se8 -","8","1","","Islam, Saiful M.; Subrahmanyam, Kota S.; Malliakas, Christos D.; Kanatzidis, Mercouri G.","One-Dimensional Molybdenum Thiochlorides and Their Use in High Surface Area MoSxChalcogels","Chemistry of Materials","2014","26","17","5151","","10.1021/cm5024579","","x-ray","0.71073","MoKα","","0.0208","0.0159","","","0.0341","0.0351","","","","","","0.991","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002057","8.5422","0.0003","9.9173","0.0004","16.6816","0.0007","88.534","0.003","77.551","0.003","84.358","0.003","1373.27","0.09","295","1","295","1","","","","","","","","6","P 1","P 1","1","","","","- C50 H44 Co2 Cu N14 O22 -","- C50 H38 Co2 Cu N14 O22 -","- C50 H38 Co2 Cu N14 O22 -","1","1","","Stankiewicz, Jolanta; Tomás, Milagros; Dobrinovitch, Isabel T.; Forcén-Vázquez, Elena; Falvello, Larry R.","Proton Conduction in a Nonporous One Dimensional Coordination Polymer","Chemistry of Materials","2014","26","18","5282","","10.1021/cm502142a","","","0.71073","MoKα","","0.0475","0.0395","","","0.0891","0.0949","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002058","8.0655","0.0011","8.0655","0.0011","3.2857","0.0007","90","","90","","90","","213.74","0.06","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","Calcium nitridomagnesoaluminate","Calcium nitridomagnesoaluminate","","- Al2 Ca Mg2 N4 -","- Al2 Ca Mg2 N4 -","- Al4 Ca2 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0323","0.0311","","","0.0849","0.0864","","","","","","1.199","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002059","8.1008","0.0011","8.1008","0.0011","3.3269","0.0007","90","","90","","90","","218.32","0.06","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","Strontium nitridomagnesioaluminate","Strontium nitridomagnesioaluminate","","- Al2 Mg2 N4 Sr -","- Al2 Mg2 N4 Sr -","- Al4 Mg4 N8 Sr2 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0313","0.0309","","","0.0834","0.0838","","","","","","1.165","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002060","8.2602","0.0009","8.2602","0.0009","3.432","0.0002","90","","90","","90","","234.17","0.04","297","2","297","2","","","","","","","","4","I 4/m","-I 4","87","Barium Magnesonitridoaluminate","Barium Magnesonitridoaluminate","","- Al2 Ba Mg2 N4 -","- Al2 Ba Mg2 N4 -","- Al4 Ba2 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.03365","","1.363","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002061","8.1539","0.0012","8.1539","0.0012","3.343","0.0007","90","","90","","90","","222.26","0.07","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Al2 Eu Mg2 N4 -","- Al2 Eu Mg2 N4 -","- Al4 Eu2 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0152","0.0152","","","0.0333","0.0333","","","","","","1.105","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002062","8.3654","0.0012","8.3654","0.0012","3.4411","0.0007","90","","90","","90","","240.81","0.07","293","2","293","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Ba Ga2 Mg2 N4 -","- Ba Ga2 Mg2 N4 -","- Ba2 Ga4 Mg4 N8 -","2","0.125","","Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang","Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples","Chemistry of Materials","2014","26","21","6113","","10.1021/cm502280p","","","0.71073","MoKα","","0.0155","0.0146","","","0.0305","0.0309","","","","","","1.101","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002063","12.6509","0.0003","5.6642","0.0002","8.9319","0.0004","90","","98.125","0.004","90","","633.61","0.04","295","","295","","","","","","","","synthesis as described","3","C 1 2 1","C 2y","5","","","","- Cu5 Se7 Sn2 -","- Cu5 Se7 Sn2 -","- Cu10 Se14 Sn4 -","2","0.5","","Fan, Jing; Carrillo-Cabrera, Wilder; Antonyshyn, Iryna; Prots, Yurii; Veremchuk, Igor; Schnelle, Walter; Drathen, Christina; Chen, Lidong; Grin, Yuri","Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7with Tetrahedral Coordination of Atoms","Chemistry of Materials","2014","26","18","5244","","10.1021/cm501899q","powder diffraction","","0.430459","synchrotron","","","","","","","","","0.0589","1.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002064","5.74738","0.00001","5.74738","0.00001","11.45583","0.00003","90","","90","","90","","378.413","0.0014","873","","873","","","","","","","","high temperature synchrotron diffraction","3","I -4 2 m","I -4 2","121","","","","- Cu5.6 Se8 Sn2.4 -","- Cu5.598 Se8 Sn2.402 -","- Cu5.598 Se8 Sn2.402 -","1","0.0625","","Fan, Jing; Carrillo-Cabrera, Wilder; Antonyshyn, Iryna; Prots, Yurii; Veremchuk, Igor; Schnelle, Walter; Drathen, Christina; Chen, Lidong; Grin, Yuri","Crystal Structure and Physical Properties of Ternary Phases around the Composition Cu5Sn2Se7with Tetrahedral Coordination of Atoms","Chemistry of Materials","2014","26","18","5244","","10.1021/cm501899q","powder diffraction","","0.430459","synchrotron","","","","","","","","","0.0315","1.02","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002065","4.05128","0.00015","4.05128","0.00015","10.3625","0.0006","90","","90","","90","","170.078","0.013","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.72 La -","- As2 Co1.722 La -","- As4 Co3.444 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.5398","neutron","","","","","","","","","9.3461","1.7","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002066","4.0444","0.0003","4.0444","0.0003","10.52","0.0007","90","","90","","90","","172.08","0.02","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.98 La -","- As2 Co1.982 La -","- As4 Co3.964 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","20.7777","2.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002067","4.0449","0.0002","4.0449","0.0002","10.4999","0.0007","90","","90","","90","","171.791","0.017","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.92 La -","- As2 Co1.92 La -","- As4 Co3.84 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","19.8294","2.05","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002068","4.047","0.0002","4.047","0.0002","10.4703","0.0006","90","","90","","90","","171.485","0.015","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.82 La -","- As2 Co1.824 La -","- As4 Co3.648 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","16.7285","2.01","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002069","4.052","0.0003","4.052","0.0003","10.3598","0.0008","90","","90","","90","","170.09","0.02","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.7 La -","- As2 Co1.696 La -","- As4 Co3.392 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","22.261","2.13","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002070","4.0546","0.00015","4.0546","0.00015","10.3037","0.0004","90","","90","","90","","169.391","0.011","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.64 La -","- As2 Co1.638 La -","- As4 Co3.276 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","14.4779","1.95","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002071","4.0561","0.00014","4.0561","0.00014","10.2644","0.0004","90","","90","","90","","168.869","0.011","298","2","298","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- As2 Co1.61 La -","- As2 Co1.612 La -","- As4 Co3.224 La2 -","2","0.0625","","Shen, Shijie; Wang, Gang; Jin, Shifeng; Huang, Qingzhen; Ying, Tianping; Li, Dandan; Lai, Xiaofang; Zhou, Tingting; Zhang, Han; Lin, Zhiping; Wu, Xiaozhi; Chen, Xiaolong","Tunable Cobalt Vacancies and Related Properties in LaCoxAs2","Chemistry of Materials","2014","26","21","6221","","10.1021/cm5029639","powder diffraction","","1.78897","CoKα","","","","","","","","","14.7385","1.94","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002072","28.5","0.03","7.18","0.02","9.42","0.02","90","","97.1","0.2","90","","1913","7","","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H7 O5 P V -","- C6 H5 O5 P V -","- C48 H40 O40 P8 V8 -","8","1","","Huan, Guohe; Jacobson, Allan J.; Johnson, Jack W.; Corcoran, Edward W.","Hydrothermal synthesis and single-crystal structural characterization of the layered vanadium(IV) phosphate VOC6H5PO3.cntdot.H2O","Chemistry of Materials","1990","2","2","91","","10.1021/cm00008a002","","","0.71069","MoKα","","0.091","","","0.109","","","","0.078","3.03","","","","","","","has coordinates,has Fobs","192838","2020-10-21","18:00:00",""
"4002073","7.1809","0.0001","7.1809","0.0001","7.1809","0.0001","90","","90","","90","","370.285","0.009","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002074","7.1879","0.0002","7.1879","0.0002","7.1879","0.0002","90","","90","","90","","371.369","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002075","7.1972","0.0002","7.1972","0.0002","7.1972","0.0002","90","","90","","90","","372.813","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002076","7.2089","0.0002","7.2089","0.0002","7.2089","0.0002","90","","90","","90","","374.634","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002077","7.2201","0.0002","7.2201","0.0002","7.2201","0.0002","90","","90","","90","","376.383","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002078","7.2345","0.0002","7.2345","0.0002","7.2345","0.0002","90","","90","","90","","378.639","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002079","7.25","0.0002","7.25","0.0002","7.25","0.0002","90","","90","","90","","381.078","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002080","7.2644","0.0002","7.2644","0.0002","7.2644","0.0002","90","","90","","90","","383.353","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002081","7.2782","0.0002","7.2782","0.0002","7.2782","0.0002","90","","90","","90","","385.542","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002082","7.2919","0.0002","7.2919","0.0002","7.2919","0.0002","90","","90","","90","","387.723","0.018","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","LAMOX","","","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.15 La1.85 Mo2 O8.924 -","- Ba0.3 La3.7 Mo4 O17.848 -","2","0.166667","","Corbel, Gwenaël; Selmi, Ania; Suard, Emmanuelle; Lacorre, Philippe","“Free” Volume Expansion and Formation Enthalpy of Defects as Key Parameters Tuning the Oxide Ionic Conductivity in Derivatives of β-La2Mo2O9","Chemistry of Materials","2014","26","23","6838","","10.1021/cm503461x","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002083","5.3038","0.0001","14.7518","0.0002","10.9877","0.0002","90","","90","","90","","859.68","0.03","100","2","100","2","","","","","","","","3","P c m b","-P 2bc 2c","57","","","","- Ca2 Co2 O5 -","- Ca2 Co2 O5 -","- Ca16 Co16 O40 -","8","1","","Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.; Allred, Jared M.; Ren, Yang; Li, Qing’an; Han, Tian-Heng; Mitchell, J.F.","Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions","Chemistry of Materials","2014","26","24","7172","","10.1021/cm503873x","","","0.71073","MoKα","","0.0382","0.0235","","","0.0605","0.0682","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002084","5.2896","0.0001","14.924","0.0002","10.9547","0.0002","90","","90","","90","","864.79","0.03","300","2","300","2","","","","","","","","3","P c m b","-P 2bc 2c","57","","","","- Ca2 Co2 O5 -","- Ca2 Co2 O5 -","- Ca16 Co16 O40 -","8","1","","Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.; Allred, Jared M.; Ren, Yang; Li, Qing’an; Han, Tian-Heng; Mitchell, J.F.","Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions","Chemistry of Materials","2014","26","24","7172","","10.1021/cm503873x","","","0.71073","MoKα","","0.0374","0.0221","","","0.062","0.0703","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002085","5.3028","0.0001","14.7838","0.0003","10.981","0.0002","90","","90.173","0.001","90","","860.86","0.03","200","2","200","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ca2 Co2 O5 -","- Ca2 Co2 O5 -","- Ca16 Co16 O40 -","8","2","","Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.; Allred, Jared M.; Ren, Yang; Li, Qing’an; Han, Tian-Heng; Mitchell, J.F.","Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions","Chemistry of Materials","2014","26","24","7172","","10.1021/cm503873x","","","0.71073","MoKα","","0.0528","0.0265","","","0.0655","0.076","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002086","5.2944","0.0001","14.8022","0.0003","10.9667","0.0002","90.078","0.001","90","","90","","859.45","0.03","240","2","240","2","","","","","","","","3","P 2/c 1 1","-P 2xc","13","","","","- Ca2 Co2 O5 -","- Ca2 Co2 O5 -","- Ca16 Co16 O40 -","8","2","","Zhang, Junjie; Zheng, Hong; Malliakas, Christos D.; Allred, Jared M.; Ren, Yang; Li, Qing’an; Han, Tian-Heng; Mitchell, J.F.","Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions","Chemistry of Materials","2014","26","24","7172","","10.1021/cm503873x","","","0.71073","MoKα","","0.0521","0.0299","","","0.0779","0.0871","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002087","7.54873","0.00004","11.43897","0.00005","11.468","0.00006","90","","109.318","0.0003","90","","934.506","0.008","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","a-Gd2 Mo3 O12","","","- Gd2 Mo3 O12 -","- Gd2 Mo3 O12 -","- Gd8 Mo12 O48 -","4","0.5","","Morozov, Vladimir A.; Raskina, Maria V.; Lazoryak, Bogdan I.; Meert, Katrien W.; Korthout, Katleen; Smet, Philippe F.; Poelman, Dirk; Gauquelin, Nicolas; Verbeeck, Johan; Abakumov, Artem M.; Hadermann, Joke","Crystal Structure and Luminescent Properties of R2‒xEux(MoO4)3(R = Gd, Sm) Red Phosphors","Chemistry of Materials","2014","26","24","7124","","10.1021/cm503720s","powder diffraction","x-ray","0.39996","SynchrotronX-ray","","0.0267","0.0267","","0.0348","0.0347","","","","2.34","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002088","10.41525","0.00001","10.44871","0.00001","10.73114","0.00001","90","","90","","90","","1167.83","0.0019","300","","300","","","","","","","","","3","P b a 2","P 2 -2ab","32","b'-Eu2 Mo3 O12","","","- Eu2 Mo3 O12 -","- Eu2 Mo3 O12 -","- Eu8 Mo12 O48 -","4","1","","Morozov, Vladimir A.; Raskina, Maria V.; Lazoryak, Bogdan I.; Meert, Katrien W.; Korthout, Katleen; Smet, Philippe F.; Poelman, Dirk; Gauquelin, Nicolas; Verbeeck, Johan; Abakumov, Artem M.; Hadermann, Joke","Crystal Structure and Luminescent Properties of R2‒xEux(MoO4)3(R = Gd, Sm) Red Phosphors","Chemistry of Materials","2014","26","24","7124","","10.1021/cm503720s","powder diffraction","x-ray","0.39996","SynchrotronX-ray","","0.0343","0.032","","0.0357","0.035","","","","1.55","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002089","6.5675","0.00017","16.4026","0.0005","13.1643","0.0007","90","","90","","90","","1418.11","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18476","","1.74","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002090","6.56849","0.00015","16.3904","0.0005","13.2097","0.0006","90","","90","","90","","1422.16","0.08","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.26383","","1.77","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002091","6.56198","0.00018","16.4171","0.0006","13.1717","0.0007","90","","90","","90.3983","0.0023","1418.94","0.1","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.16881","","1.73","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002092","6.56879","0.00017","16.3828","0.0005","13.1723","0.0007","90","","90","","90","","1417.54","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18163","","1.64","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002093","6.56802","0.00017","16.3948","0.0005","13.1677","0.0007","90","","90","","90","","1417.92","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23045","","1.66","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002094","6.56804","0.00017","16.3885","0.0005","13.1682","0.0007","90","","90","","90","","1417.43","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.17949","","1.62","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002095","6.568","0.00016","16.4018","0.0005","13.183","0.0006","90","","90","","90","","1420.17","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.2547","","1.8","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002096","6.56782","0.00015","16.4055","0.0005","13.1687","0.0006","90","","90","","90","","1418.91","0.08","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.19119","","1.73","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002097","6.55814","0.00017","16.425","0.0006","13.1592","0.0006","90","","90","","90.5028","0.0023","1417.42","0.09","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.24379","","1.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002098","6.56766","0.00016","16.4042","0.0005","13.1657","0.0007","90","","90","","90","","1418.44","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18535","","1.64","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002099","6.56772","0.00016","16.4037","0.0005","13.174","0.0006","90","","90","","90","","1419.3","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.20163","","1.68","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002100","6.56768","0.00017","16.3984","0.0005","13.164","0.0007","90","","90","","90","","1417.76","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.18711","","1.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002101","6.56812","0.00016","16.3928","0.0005","13.1995","0.0006","90","","90","","90","","1421.19","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.26175","","1.75","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002102","6.56677","0.00019","16.3971","0.0007","13.2021","0.0008","90","","90","","90.139","0.005","1421.54","0.11","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.12471","","1.78","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002103","6.56806","0.00017","16.3927","0.0005","13.1667","0.0007","90","","90","","90","","1417.64","0.09","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.25896","","1.66","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002104","6.56852","0.00015","16.4032","0.0005","13.1796","0.0006","90","","90","","90","","1420.03","0.08","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.2115","","1.72","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002105","6.62982","0.00006","16.76377","0.00017","12.78585","0.00023","90","","90","","90","","1421.03","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.15748","","2.03","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002106","6.62905","0.00006","16.73997","0.00017","12.81723","0.00022","90","","90","","90","","1422.33","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.21085","","2.06","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002107","6.62869","0.00006","16.72237","0.00018","12.84063","0.00023","90","","90","","90","","1423.35","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.22703","","2.16","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002108","6.63046","0.00006","16.7759","0.00017","12.77032","0.00023","90","","90","","90","","1420.47","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.20307","","2.02","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002109","6.63028","0.00006","16.79731","0.00017","12.74687","0.00024","90","","90","","90","","1419.63","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23236","","2.02","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002110","6.62857","0.00006","16.71675","0.00018","12.84727","0.00023","90","","90","","90","","1423.58","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23182","","2.14","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002111","6.6289","0.00006","16.73384","0.00017","12.82536","0.00022","90","","90","","90","","1422.68","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.19799","","2.07","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002112","6.62854","0.00006","16.71205","0.00018","12.85296","0.00023","90","","90","","90","","1423.81","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23802","","2.18","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002113","6.62913","0.00006","16.74572","0.00017","12.80987","0.00023","90","","90","","90","","1422.02","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.21891","","2.06","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002114","6.62927","0.00006","16.75151","0.00018","12.80193","0.00023","90","","90","","90","","1421.66","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23894","","2.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002115","6.63021","0.00006","16.77003","0.00017","12.77785","0.00023","90","","90","","90","","1420.75","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.1866","","2.05","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002116","6.62947","0.00006","16.75793","0.00017","12.79359","0.00023","90","","90","","90","","1421.32","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23905","","2.03","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002117","6.6288","0.00006","16.72761","0.00018","12.83361","0.00022","90","","90","","90","","1423.04","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.23692","","2.12","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002118","6.63046","0.00006","16.78318","0.00017","12.76181","0.00024","90","","90","","90","","1420.14","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.2366","","2.05","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002119","6.63033","0.00006","16.79018","0.00017","12.75375","0.00024","90","","90","","90","","1419.8","0.03","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","","","- C8 Al O5 -","- C8 Al O5 -","- C32 Al4 O20 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.825993","","","","","","","","","0.22006","","2.01","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002120","6.56474","0.00013","16.403","0.0004","13.1762","0.0005","90","","90","","90","","1418.83","0.07","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.29471","","2.16","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002121","6.55591","0.00013","16.4362","0.0004","13.1423","0.0004","90","","90","","90.4875","0.0015","1416.09","0.06","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.26754","","2.62","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002122","6.55388","0.00012","16.439","0.0004","13.1379","0.0004","90","","90","","90.5441","0.0014","1415.4","0.06","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.24821","","2.53","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002123","6.56509","0.00013","16.3991","0.0004","13.1951","0.0005","90","","90","","90","","1420.61","0.07","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.29718","","2.33","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002124","6.55253","0.00014","16.4362","0.0004","13.1417","0.0005","90","","90","","90.5819","0.0016","1415.27","0.07","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.25215","","3.32","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002125","6.5622","0.00015","16.4151","0.0005","13.1768","0.0006","90","","90","","90.2748","0.0018","1419.38","0.08","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.32016","","2.32","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002126","6.55277","0.00013","16.4391","0.0004","13.1381","0.0004","90","","90","","90.5749","0.0015","1415.19","0.06","","","","","","","","","","","","4","I 1 1 2/b","-I 2b","15","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.5","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.23244","","2.75","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002127","6.56394","0.00013","16.4021","0.0004","13.183","0.0005","90","","90","","90","","1419.31","0.07","","","","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C8 Al F O4 -","- C8 Al F O4 -","- C32 Al4 F4 O16 -","4","0.25","","Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.","Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion","Chemistry of Materials","2014","","","141223143002002","","10.1021/cm503311x","powder diffraction","x-ray","0.827154","","","","","","","","","0.30578","","2.23","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002128","6.3964","0.0005","11.0864","0.0009","12.4048","0.001","90","","99.867","0.005","90","","866.65","0.12","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lithium Tin Sulfide","Lithium Tin Sulfide","","- Li2 S3 Sn -","- Li2 S3 Sn -","- Li16 S24 Sn8 -","8","1","","Brant, Jacilynn A.; Massi, Danielle M.; Holzwarth, N. A. W.; MacNeil, Joseph H.; Douvalis, Alexios P.; Bakas, Thomas; Martin, Steve W.; Gross, Michael D.; Aitken, Jennifer A.","Fast Lithium Ion Conduction in Li2SnS3: Synthesis, Physicochemical Characterization, and Electronic Structure","Chemistry of Materials","2015","27","1","189","","10.1021/cm5037524","","","0.71073","MoKα","","0.0174","0.0131","","","0.0286","0.0302","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002129","9.6012","0.0003","9.6449","0.0003","12.563","0.0004","90","","97.04","0.001","90","","1154.6","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Mn5 O18 -","- C16 H16 Mn5 O18 -","- C32 H32 Mn10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.034","0.0263","","","0.0645","0.0683","","","","","","1.048","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002130","9.4796","0.0005","9.4223","0.0004","12.4759","0.0006","90","","96.722","0.003","90","","1106.68","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Fe5 O18 -","- C16 H16 Fe5 O18 -","- C32 H32 Fe10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0646","0.0455","","","0.1127","0.1274","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002131","9.4189","0.0004","9.3268","0.0003","12.3715","0.0005","90","","96.769","0.001","90","","1079.24","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co5 O18 -","- C16 H16 Co5 O18 -","- C32 H32 Co10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0235","0.0203","","","0.0525","0.0538","","","","","","1.089","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002132","9.4427","0.0001","9.3732","0.0001","12.3909","0.0002","90","","96.822","0.001","90","","1088.93","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co Mn4 O18 -","- C16 H16 Co4.048 Mn0.95 O18 -","- C32 H32 Co8.096 Mn1.9 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0285","0.0217","","","0.0529","0.0556","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002133","9.5092","0.0001","9.4843","0.0001","12.4522","0.0002","90","","96.874","0.001","90","","1114.97","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co2.5 Mn2.5 O18 -","- C16 H16 Co2.087 Mn2.901 O18 -","- C32 H32 Co4.174 Mn5.802 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0216","0.0188","","","0.0502","0.0515","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002134","9.5376","0.0003","9.5266","0.0003","12.4771","0.0003","90","","96.938","0.001","90","","1125.38","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co1.25 Mn3.75 O18 -","- C16 H16 Co1.873 Mn3.101 O18 -","- C32 H32 Co3.746 Mn6.202 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0301","0.0225","","","0.0572","0.0608","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002135","9.5632","0.0001","9.5665","0.0001","12.5036","0.0001","90","","96.994","0.001","90","","1135.4","0.019","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co1.25 Mn3.75 O18 -","- C16 H16 Co1.28 Mn3.701 O18 -","- C32 H32 Co2.56 Mn7.402 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0335","0.0241","","","0.0598","0.0641","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002136","9.4194","0.0009","9.3271","0.0008","12.3699","0.0011","90","","96.78","0.002","90","","1079.17","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co4.2 Fe0.8 O18 -","- C16 H16 Co4.19 Fe0.81 O18 -","- C32 H32 Co8.38 Fe1.62 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0386","0.0265","","","0.0602","0.0644","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002137","9.448","0.003","9.368","0.003","12.418","0.004","90","","96.601","0.007","90","","1091.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co2.9 Fe2.1 O18 -","- C16 H16 Co2.9 Fe2.1 O18 -","- C32 H32 Co5.8 Fe4.2 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0568","0.0441","","","0.1121","0.1217","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002138","9.4574","0.0004","9.3706","0.0003","12.4237","0.0005","90","","96.7299","0.0009","90","","1093.42","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co2.3 Fe2.7 O18 -","- C16 H16 Co2.3 Fe2.7 O18 -","- C32 H32 Co4.6 Fe5.4 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0348","0.0253","","","0.0582","0.0614","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002139","9.4649","0.0003","9.3881","0.0003","12.4407","0.0004","90","","96.7263","0.0012","90","","1097.84","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co1.5 Fe3.5 O18 -","- C16 H16 Co1.49 Fe3.51 O18 -","- C32 H32 Co2.98 Fe7.02 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0454","0.0292","","","0.0617","0.067","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002140","9.4716","0.0005","9.4045","0.0005","12.4596","0.0006","90","","96.705","0.002","90","","1102.26","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co0.95 Fe4.05 O18 -","- C16 H16 Co0.95 Fe4.07 O18 -","- C32 H32 Co1.9 Fe8.14 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0452","0.0326","","","0.096","0.1018","","","","","","1.165","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002141","9.5048","0.001","9.4721","0.001","12.4969","0.0013","90","","96.884","0.002","90","","1117","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Fe5 O18 -","- C16 H16 Fe5 O18 -","- C32 H32 Fe10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0413","0.029","","","0.0686","0.0735","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002142","9.5106","0.0018","9.4976","0.0019","12.493","0.002","90","","96.947","0.006","90","","1120.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Fe5 O18 -","- C16 H16 Fe5 O18 -","- C32 H32 Fe10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.075","0.0434","","","0.0961","0.109","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002143","9.5471","0.0006","9.5715","0.0006","12.5302","0.0007","90","","97.031","0.002","90","","1136.4","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Mn5 O18 -","- C16 H16 Mn5 O18 -","- C32 H32 Mn10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0474","0.031","","","0.0694","0.076","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002144","10.0421","0.0003","15.3656","0.0004","5.5778","0.0002","90","","90","","90","","860.67","0.05","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- Ca2 Ge Pd2 -","- Ca2 Ge Pd2 -","- Ca16 Ge8 Pd16 -","8","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71073","MoKα","","0.0207","0.0175","","","0.0378","0.0384","","","","","","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002145","9.6427","0.0003","5.6488","0.0006","7.9236","0.0004","90","","102.13","0.004","90","","421.96","0.05","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ca2 Ge Pt2 -","- Ca2 Ge Pt2 -","- Ca8 Ge4 Pt8 -","4","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71069","MoKα","","0.0464","0.0293","","","0.0556","0.0584","","","","","","0.891","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002146","10.017","0.002","5.7669","0.0012","7.7421","0.0015","90","","102.54","0.03","90","","436.57","0.16","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al Ca2 Pd2 -","- Al Ca2 Pd2 -","- Al4 Ca8 Pd8 -","4","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71073","MoKα","","0.0209","0.0178","","","0.0408","0.0424","","","","","","1.021","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002147","9.804","0.0008","5.7411","0.0005","7.7307","0.0007","90","","101.889","0.007","90","","425.79","0.06","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al Ca2 Pt2 -","- Al Ca2 Pt2 -","- Al4 Ca8 Pt8 -","4","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71073","MoKα","","0.0329","0.0296","","","0.0715","0.073","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002148","34.4789","0.0009","29.8973","0.0006","16.2075","0.0004","90","","109.005","0.002","90","","15796.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H43 N14 O Zn2 -","- C54 H43 N14 O Zn2 -","- C432 H344 N112 O8 Zn16 -","8","1","","Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian","Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange","Chemistry of Materials","2015","27","1","205","","10.1021/cm503767r","","","1.54178","CuKα","","0.0591","0.0464","","","0.1353","0.1441","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002149","28.4095","0.0012","28.0922","0.0011","9.4743","0.0005","90","","90","","90","","7561.3","0.6","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C27 H23 N7 O Zn -","- C27 H23 N7 O Zn -","- C216 H184 N56 O8 Zn8 -","8","1","","Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian","Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange","Chemistry of Materials","2015","27","1","205","","10.1021/cm503767r","","","1.54178","CuKα","","0.1057","0.0805","","","0.2377","0.2657","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002150","35.157","0.008","29.716","0.006","16.278","0.004","90","","109.757","0.004","90","","16005","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H41 Cr2 N14 O8 Zn2 -","- C54 H41 Cr2 N14 O8 Zn2 -","- C432 H328 Cr16 N112 O64 Zn16 -","8","1","","Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian","Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange","Chemistry of Materials","2015","27","1","205","","10.1021/cm503767r","","","0.71073","MoKα","","0.1286","0.1085","","","0.3157","0.3348","","","","","","1.175","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002151","3.78733","0.00014","3.78733","0.00014","5.5144","0.0003","90","","90","","90","","79.098","0.006","295","","295","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe0.91 Se -","- Fe0.91 Se -","- Fe1.82 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.413734","","","0.0699","0.0716","","0.0668","0.0666","","","","0.97","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002152","3.77354","0.00005","3.77354","0.00005","5.52226","0.00012","90","","90","","90","","78.635","0.002","295","","295","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe Se -","- Fe0.996 Se -","- Fe1.992 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.41373","","","0.0542","0.0538","","0.045","0.0448","","","","0.94","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002153","3.78372","0.00013","3.78372","0.00013","5.512","0.0003","90","","90","","90","","78.913","0.006","293","","293","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe0.925 Se -","- Fe0.926 Se -","- Fe1.852 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.413685","","","0.0663","0.0651","","0.0605","0.0603","","","","0.99","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002154","3.77233","0.00004","3.77233","0.00004","5.52249","0.0001","90","","90","","90","","78.5876","0.0018","293","","293","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe Se -","- Fe1.001 Se -","- Fe2.002 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.413685","","","0.0481","0.0472","","0.0455","0.0455","","","","1","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002155","7.188","0.005","23.171","0.019","7.044","0.005","90","","116.25","0.03","90","","1052.2","1.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ga2 Pb Se6 Si -","- Ga2 Pb Se6 Si -","- Ga8 Pb4 Se24 Si4 -","4","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan","PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals","Chemistry of Materials","2015","27","3","914","","10.1021/cm504195x","","","0.71073","MoKα","","0.0503","0.0368","","","0.0774","0.1209","","","","","","0.962","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002156","47.135","0.016","7.578","0.003","12.161","0.004","90","","90","","90","","4344","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge Pb Se6 -","- Ga2 Ge Pb Se6 -","- Ga32 Ge16 Pb16 Se96 -","16","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan","PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals","Chemistry of Materials","2015","27","3","914","","10.1021/cm504195x","","","0.71073","MoKα","","0.0315","0.0269","","","0.0492","0.0507","","","","","","0.946","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002157","5.200894","0.000006","5.200894","0.000006","15.2684","","90","","90","","120","","357.668","0.0006","293","","293","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al2.286 O8 Si1.714 Sr1.143 -","- Al2.2856 O8 Si1.7136 Sr1.1428 -","- Al4.5712 O16 Si3.4272 Sr2.2856 -","2","0.0833333","","Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu","Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics","Chemistry of Materials","2015","","","150106064151000","","10.1021/cm5037106","powder diffraction","x-ray","0.41398","","","0.0268","0.0261","","0.0346","0.0344","","","","1.65","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002158","5.196294","0.000005","5.196294","0.000005","15.21997","0.00002","90","","90","","120","","355.903","0.0007","293","","293","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al2.062 O8 Si1.938 Sr1.031 -","- Al2.0612 O8 Si1.938 Sr1.0306 -","- Al4.1224 O16 Si3.876 Sr2.0612 -","2","0.0833333","","Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu","Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics","Chemistry of Materials","2015","","","150106064151000","","10.1021/cm5037106","powder diffraction","x-ray","0.41396","","","0.0322","0.0318","","0.044","0.0439","","","","1.62","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002159","5.199956","0.000012","5.199956","0.000012","15.24875","0.00005","90","","90","","120","","357.079","0.0017","293","","293","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al2.179 O8 Si1.82 Sr1.09 -","- Al2.1784 O8 Si1.8208 Sr1.0893 -","- Al4.3568 O16 Si3.6416 Sr2.1786 -","2","0.0833333","","Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu","Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics","Chemistry of Materials","2015","","","150106064151000","","10.1021/cm5037106","powder diffraction","x-ray","0.41398","","","0.029","0.0289","","0.0417","0.0416","","","","2.31","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002160","5.202893","0.000006","5.202893","0.000006","15.29364","0.00003","90","","90","","120","","358.535","0.0009","293","","293","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al1.174 O4 Si0.826 Sr0.587 -","- Al1.174 O4 Si0.8258 Sr0.58705 -","- Al4.696 O16 Si3.3032 Sr2.3482 -","4","0.166667","","Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu","Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics","Chemistry of Materials","2015","","","150106064151000","","10.1021/cm5037106","powder diffraction","x-ray","0.41396","","","0.0366","0.0356","","0.041","0.0407","","","","1.67","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002161","5.197476","0.000009","5.197476","0.000009","15.20507","0.00004","90","","90","","120","","355.716","0.0013","293","","293","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al4 O16 Si4 Sr2 -","2","0.0833333","","Al Saghir, Kholoud; Chenu, Sébastien; Veron, Emmanuel; Fayon, Franck; Suchomel, Matthew; Genevois, Cécile; Porcher, Florence; Matzen, Guy; Massiot, Dominique; Allix, Mathieu","Transparency through Structural Disorder: A New Concept for Innovative Transparent Ceramics","Chemistry of Materials","2015","","","150106064151000","","10.1021/cm5037106","powder diffraction","x-ray","0.41396","","","0.0458","0.0456","","0.0589","0.0588","","","","1.82","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002162","7.2931","0.0015","15.612","0.003","13.557","0.003","90","","106.64","0.03","90","","1479","0.6","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- K Nb2 P Se10 -","- K Nb2 P Se10 -","- K4 Nb8 P4 Se40 -","4","2","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.0728","0.0571","","","0.1307","0.1386","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002163","7.381","0.0015","7.8359","0.0016","13.564","0.003","90","","106.75","0.03","90","","751.2","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Nb2 P Rb Se10 -","- Nb2 P Rb Se10 -","- Nb4 P2 Rb2 Se20 -","2","1","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.06","0.0461","","","0.1067","0.1239","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002164","14.6257","0.0007","7.8097","0.0004","13.5533","0.0006","90","","98.557","0.004","90","","1530.86","0.13","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Cs Nb2 P Se10 -","- Cs Nb2 P Se10 -","- Cs4 Nb8 P4 Se40 -","4","2","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.082","0.0577","","","0.1108","0.1214","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002165","6.2778","0.0013","11.601","0.002","14.431","0.003","90","","90","","90","","1051","0.4","293","","293","","","","","","","","synthesis as described","3","I b a m","-I 2 2c","72","","","","- Cs2 Hg3 S4 -","- Cs2 Hg3 S4 -","- Cs8 Hg12 S16 -","4","0.25","","Islam, Saiful M.; Vanishri, S.; Li, Hao; Stoumpos, Constantinos C.; Peters, John. A.; Sebastian, Maria; Liu, Zhifu; Wang, Shichao; Haynes, Alyssa S.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce; Kanatzidis, Mercouri G.","Cs2Hg3S4: A Low-Dimensional Direct Bandgap Semiconductor","Chemistry of Materials","2015","27","1","370","","10.1021/cm504089r","","x-ray","0.71073","MoKα","","0.0512","0.0403","","","0.0825","0.0892","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002166","16.693","0.002","16.693","0.002","22.577","0.005","90","","90","","90","","6291.2","1.8","90","2","90","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca14 Mg Sb11 -","- Ca14 Mg Sb10.908 -","- Ca112 Mg8 Sb87.264 -","8","0.25","","Hu, Yufei; Wang, Jian; Kawamura, Airi; Kovnir, Kirill; Kauzlarich, Susan M.","Yb14MgSb11and Ca14MgSb11—New Mg-Containing Zintl Compounds and Their Structures, Bonding, and Thermoelectric Properties","Chemistry of Materials","2015","27","1","343","","10.1021/cm504059t","","","0.71073","MoKα","","0.0792","0.0394","","","0.0752","0.0907","","","","","","1.006","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002167","16.625","0.009","16.625","0.009","22.24","0.02","90","","90","","90","","6147","7","90","2","90","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Mg Sb11 Yb14 -","- Mg Sb11 Yb14 -","- Mg8 Sb88 Yb112 -","8","0.25","","Hu, Yufei; Wang, Jian; Kawamura, Airi; Kovnir, Kirill; Kauzlarich, Susan M.","Yb14MgSb11and Ca14MgSb11—New Mg-Containing Zintl Compounds and Their Structures, Bonding, and Thermoelectric Properties","Chemistry of Materials","2015","27","1","343","","10.1021/cm504059t","","","0.71073","MoKα","","0.0256","0.0194","","","0.0381","0.0398","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002168","10.8196","0.0008","7.2809","0.0004","11.326","0.0009","90","","107.695","0.008","90","","850.01","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Al B4 H18 N -","- Al B4 H18 N -","- Al4 B16 H72 N4 -","4","1","","Dovgaliuk, Iurii; Le Duff, Cécile S.; Robeyns, Koen; Devillers, Michel; Filinchuk, Yaroslav","Mild Dehydrogenation of Ammonia Borane Complexed with Aluminum Borohydride","Chemistry of Materials","2015","27","3","768","","10.1021/cm503601h","","","0.71073","MoKα","","0.0895","0.0645","","","0.1618","0.1801","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002169","7.8585","0.0002","6.86473","0.00014","15.7136","0.0008","90","","96.429","0.004","90","","842.36","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al B4 H18 N -","- Al B4 H18 N -","- Al4 B16 H72 N4 -","4","1","","Dovgaliuk, Iurii; Le Duff, Cécile S.; Robeyns, Koen; Devillers, Michel; Filinchuk, Yaroslav","Mild Dehydrogenation of Ammonia Borane Complexed with Aluminum Borohydride","Chemistry of Materials","2015","27","3","768","","10.1021/cm503601h","","","0.82103","synchrotron","","0.0301","0.028","","","0.0768","0.078","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002170","6.2359","0.0002","6.2359","0.0002","32.2139","0.0005","90","","90","","120","","1084.86","0.05","298","","298","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Cu3.2 O30 Ta11 -","- Cu3.192 O30 Ta11 -","- Cu6.384 O60 Ta22 -","2","0.166667","","Sullivan, Ian; Sahoo, Prangya P.; Fuoco, Lindsay; Hewitt, Andrew S.; Stuart, Sean; Dougherty, Daniel; Maggard, Paul A.","Cu-Deficiency in thep-Type Semiconductor Cu5‒xTa11O30: Impact on Its Crystalline Structure, Surfaces, and Photoelectrochemical Properties","Chemistry of Materials","2014","26","23","6711","","10.1021/cm502891t","powder diffraction","","1.54187","CuKα","","0.0396","0.0391","","","0.0256","0.0256","","","","","","1.88","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002171","8.2365","0.0003","12.1468","0.0005","24.7923","0.0011","90","","90","","90","","2480.4","0.18","175","","175","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H36 B2 Mg O16 -","- C14 H36 B2 Mg O16 -","- C56 H144 B8 Mg4 O64 -","4","0.5","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","","","0.71073","MoKα","","0.0481","0.0362","","0.0874","0.0821","0.0874","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002172","10.4309","0.0003","14.533","0.0004","16.1153","0.0005","98.105","0.003","98.045","0.002","101.478","0.002","2334.38","0.12","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H52 B6 Ca3 O20 -","- C42 H52 B6 Ca3 O20 -","- C84 H104 B12 Ca6 O40 -","2","1","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","","","0.71073","MoKα","","0.0699","0.0513","","","0.119","0.1217","","","","","","1.832","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002173","11.233986","0.000014","30.92293","0.00004","8.6602","0.000013","90","","135.414","0.00006","90","","2111.87","0.005","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H60 B4 Mg2 O26 -","- C28 H60 B4 Mg2 O26 -","- C56 H120 B8 Mg4 O52 -","2","0.5","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","powder diffraction","","0.999942","synchrotron","","","","","","","","","5.6949","1.47","","","","","","","has coordinates","189197","2020-10-21","18:00:00",""
"4002174","19.541","0.009","8.661","0.003","26.66","0.011","90.715","0.007","110.509","0.009","92.601","0.007","4220","3","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 N Ni S8 Se4 -","- C32 H48 N Ni S8 Se4 -","- C128 H192 N4 Ni4 S32 Se16 -","4","2","","Fujiwara, Emiko; Yamamoto, Kimiko; Shimamura, Mina; Zhou, Biao; Kobayashi, Akiko; Takahashi, Kazuyuki; Okano, Yoshinori; Cui, Hengbo; Kobayashi, Hayao","(nBu4N)[Ni(dmstfdt)2]: A Planar Nickel Coordination Complex with an Extended-TTF Ligand Exhibiting Metallic Conduction, Metal‒Insulator Transition, and Weak Ferromagnetism","Chemistry of Materials","2007","19","3","553","","10.1021/cm062131q","","","0.7107","MoKα","","","0.061","","","","0.07","","","","","","1.131","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002175","10.8672","0.0011","3.1543","0.0003","6.35","0.0006","90","","90","","90","","217.67","0.04","296","2","296","2","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- B3 Nb3 Ru3 -","- B3 Nb3 Ru3 -","- B6 Nb6 Ru6 -","2","0.25","","Xie, Weiwei; Luo, Huixia; Baroudi, Kristen; Krizan, Jason W.; Phelan, Brendan F.; Cava, Robert J.","Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor","Chemistry of Materials","2015","27","4","1149","","10.1021/cm504449s","","","0.71073","MoKα","","0.0135","0.0115","","","0.0199","0.0203","","","","","","1.141","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002176","31.5176","0.0003","31.5176","0.0003","31.5176","0.0003","90","","90","","90","","31308.3","0.5","130","2","130","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C57 H57 N6 O23 Tb4 -","- C57 H57.01 N6 O23 Tb4 -","- C912 H912.16 N96 O368 Tb64 -","16","0.333333","","Li, Hai-Yang; Wei, Yong-Li; Dong, Xi-Yan; Zang, Shuang-Quan; Mak, Thomas C. W.","Novel Tb-MOF Embedded with Viologen Species for Multi-Photofunctionality: Photochromism, Photomodulated Fluorescence, and Luminescent pH Sensing","Chemistry of Materials","2015","27","4","1327","","10.1021/cm504350q","","","0.71073","MoKα","","0.0471","0.0459","","","0.1248","0.1257","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002177","14.7432","0.0002","14.7432","0.0002","14.7432","0.0002","90","","90","","90","","3204.61","0.08","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.28 Ba0.5 S1.33 Sn0.33 -","- Ag0.28425 Ba0.5 S1.33333 Sn0.333333 -","- Ag13.644 Ba24 S64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0188","0.0185","","","0.0411","0.0413","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002178","14.7422","0.0007","14.7422","0.0007","14.7422","0.0007","90","","90","","90","","3204","0.3","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.33 Ba0.5 S1.33 Sn0.33 -","- Ag0.32875 Ba0.5 S1.33333 Sn0.333333 -","- Ag15.78 Ba24 S64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0215","0.0215","","","0.0571","0.0571","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002179","14.7482","0.0003","14.7482","0.0003","14.7482","0.0003","90","","90","","90","","3207.87","0.11","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.33 Ba0.5 S1.33 Sn0.33 -","- Ag0.33275 Ba0.5 S1.33333 Sn0.333333 -","- Ag15.972 Ba24 S64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.024","0.0239","","","0.0642","0.0643","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002180","14.9596","0.0002","14.9596","0.0002","14.9596","0.0002","90","","90","","90","","3347.8","0.08","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.31 Ba0.5 S0.79 Se0.54 Sn0.33 -","- Ag0.3065 Ba0.5 S0.794333 Se0.539 Sn0.333333 -","- Ag14.712 Ba24 S38.128 Se25.872 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0202","0.0202","","","0.052","0.052","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002181","15.2983","0.0003","15.2983","0.0003","15.2983","0.0003","90","","90","","90","","3580.38","0.12","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.31 Ba0.5 Se1.33 Sn0.33 -","- Ag0.3105 Ba0.5 Se1.33333 Sn0.333333 -","- Ag14.904 Ba24 Se64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0276","0.0266","","","0.0664","0.0672","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002182","9.5475","0.0003","9.5475","0.0003","7.1019","0.0005","90","","90","","120","","560.64","0.05","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Nd8 O26 Si6 Sr2 -","- Nd8 O26 Si6 Sr2 -","- Nd8 O26 Si6 Sr2 -","1","0.0833333","","An, Tao; Baikie, Tom; Weyland, Matthew; Shin, J. Felix; Slater, Peter R.; Wei, Jun; White, Tim J.","Crystal Chemical Analysis of Nd9.33Si6O26and Nd8Sr2Si6O26Apatite Electrolytes Using Aberration-Corrected Scanning Transmission Electron Microscopy and Impedance Spectroscopy","Chemistry of Materials","2015","27","4","1217","","10.1021/cm504009d","","x-ray","0.71069","MoKα","","0.031","0.0304","","","0.0477","0.0479","","","","3.29","3.29","3.29","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002183","32.985","0.007","8.9901","0.0019","34.432","0.007","90","","115.591","0.002","90","","9209","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 La N4 O10 -","- C36 H43 La N4 O10 -","- C288 H344 La8 N32 O80 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.072","0.0554","","","0.148","0.1546","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002184","32.84","0.03","8.998","0.008","34.21","0.03","90","","115.564","0.011","90","","9119","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 N4 O10 Sm -","- C36 H43 N4 O10 Sm -","- C288 H344 N32 O80 Sm8 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.1228","0.0639","","","0.1432","0.1713","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002185","32.14","0.02","9.156","0.006","26.864","0.018","90","","112.859","0.007","90","","7285","8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 N4 O10 Sm -","- C36 H43 N4 O10 Sm -","- C288 H344 N32 O80 Sm8 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.1113","0.0625","","","0.1434","0.1565","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002186","32.599","0.005","8.8449","0.0014","34.246","0.008","90","","116.457","0.002","90","","8840","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 N4 O10 Sm -","- C36 H43 N4 O10 Sm -","- C288 H344 N32 O80 Sm8 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.0887","0.0507","","","0.0929","0.0991","","","","","","1.048","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002187","13.362","0.004","20.179","0.006","20.186","0.007","76.11","0.04","72.33","0.03","72.24","0.03","4873","3","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C48 Cr6 K2 Mo12 N6 O66 P -","- C48 Cr6 K1.998 Mo12 N6 O66 P -","- C96 Cr12 K3.996 Mo24 N12 O132 P2 -","2","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions","Chemistry of Materials","2015","27","6","2092","","10.1021/cm504526z","","","0.7107","MoKα","","","0.1164","","","","0.3477","","","","","","1.043","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002188","29.59","0.06","25.19","0.05","13.39","0.02","90","","91.23","0.04","90","","9978","3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 Cr6 Mo12 N6 O66 P -","- C48 Cr6 Mo12 N6 O66 P -","- C192 Cr24 Mo48 N24 O264 P4 -","4","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions","Chemistry of Materials","2015","27","6","2092","","10.1021/cm504526z","","","0.7107","MoKα","","","0.166","","","","0.4461","","","","","","1.092","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002189","13.527","0.008","20.304","0.013","20.367","0.012","75.84","0.03","72.18","0.03","72.14","0.03","4998","5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C48 Cr6 K Mo12 N6 O66 P -","- C48 Cr6 K Mo12 N6 O66 P -","- C96 Cr12 K2 Mo24 N12 O132 P2 -","2","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions","Chemistry of Materials","2015","27","6","2092","","10.1021/cm504526z","","","0.7107","MoKα","","","0.2332","","","","0.5534","","","","","","1.784","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002190","8.954","0.002","8.954","0.002","8.954","0.002","90","","90","","90","","717.9","0.3","299","2","299","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge13 Ir4 Y3 -","- Ge13 Ir4 Y3 -","- Ge26 Ir8 Y6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0343","0.0321","","","0.0861","0.0879","","","","","","1.245","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002191","8.939","0.001","8.939","0.001","8.939","0.001","90","","90","","90","","714.28","0.14","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge12.53 Lu3 Os4 -","- Ge12.54 Lu3 Os4 -","- Ge25.08 Lu6 Os8 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0347","0.0333","","","0.0784","0.0789","","","","","","1.257","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002192","8.8659","0.0007","8.8659","0.0005","8.8659","0.0005","90","","90","","90","","696.9","0.08","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge13 Lu3 Rh4 -","- Ge13 Lu3 Rh4 -","- Ge26 Lu6 Rh8 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0378","0.0289","","","0.0571","0.059","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002193","8.923","0.002","8.923","0.002","8.923","0.002","90","","90","","90","","710.4","0.3","299","2","299","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge12.93 Rh4 Y3 -","- Ge12.93 Rh4 Y3 -","- Ge25.86 Rh8 Y6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0419","0.0393","","","0.0971","0.099","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002194","8.9933","0.0009","8.9933","0.0009","8.9933","0.0009","90","","90","","90","","727.37","0.13","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge12.65 Os4 Y3 -","- Ge12.66 Os4 Y3 -","- Ge25.32 Os8 Y6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0345","0.0261","","","0.0563","0.0651","","","","","","1.163","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002195","8.6997","0.0006","8.6997","0.0006","8.6997","0.0006","90","","90","","90","","658.43","0.08","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Co4 Ge13 Lu3 -","- Co4 Ge13 Lu3 -","- Co8 Ge26 Lu6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0326","0.0305","","","0.0713","0.0718","","","","","","1.257","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002196","10.427","0.0003","10.427","0.0003","10.427","0.0003","90","","90","","90","","1133.65","0.06","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ga8.3 K8 Si37.3 -","- Ga8.42 K8 Si37.58 -","- Ga8.42 K8 Si37.58 -","1","0.0208333","","Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.","Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38","Chemistry of Materials","2015","27","8","2812","","10.1021/cm504436v","","","0.71073","MoKα","","0.0203","0.0155","","","0.0371","0.0384","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002197","10.5339","0.0003","10.5339","0.0003","10.5339","0.0003","90","","90","","90","","1168.87","0.06","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Ga7.8 Si38.2 -","- Cs8 Ga7.764 Si38.236 -","- Cs8 Ga7.764 Si38.236 -","1","0.0208333","","Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.","Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38","Chemistry of Materials","2015","27","8","2812","","10.1021/cm504436v","","","0.71073","MoKα","","0.0149","0.0127","","","0.0298","0.03","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002198","10.4433","0.0015","10.4433","0.0015","10.4433","0.0015","90","","90","","90","","1139","0.3","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ga7.5 Rb8 Si38.5 -","- Ga7.456 Rb8 Si38.544 -","- Ga7.456 Rb8 Si38.544 -","1","0.0208333","","Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.","Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38","Chemistry of Materials","2015","27","8","2812","","10.1021/cm504436v","","","0.71073","MoKα","","0.0371","0.0228","","","0.0435","0.0459","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002200","21.1713","0.0016","11.8611","0.0007","17.0191","0.0014","90","","113.864","0.004","90","","3908.4","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","La(hfac)3(pyDTDA)2","","","- C27 H11 F18 La N6 O6 S4 -","- C27 H11 F18 La N6 O6 S4 -","- C108 H44 F72 La4 N24 O24 S16 -","4","0.5","","Fatila, Elisabeth M.; Mayo, R. Alex; Rouzières, Mathieu; Jennings, Michael C.; Dechambenoit, Pierre; Soldatov, Dmitriy V.; Mathonière, Corine; Clérac, Rodolphe; Coulon, Claude; Preuss, Kathryn E.","Radical‒Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior","Chemistry of Materials","2015","27","11","4023","","10.1021/acs.chemmater.5b00967","","","0.71073","MoKα","","0.0269","0.0238","","","0.0587","0.0608","","","","","","1.076","","","","has coordinates","140081","2020-10-21","18:00:00",""
"4002201","12.027","0.0006","12.1954","0.0006","16.7873","0.0008","91.392","0.002","108.334","0.002","118.531","0.002","2007.96","0.18","220","2","220","2","","","","","","","","7","P -1","-P 1","2","La(hfac)3(pyDTDA)2","","","- C27 H11 F18 La N6 O6 S4 -","- C27 H11 F18 La N6 O6 S4 -","- C54 H22 F36 La2 N12 O12 S8 -","2","1","","Fatila, Elisabeth M.; Mayo, R. Alex; Rouzières, Mathieu; Jennings, Michael C.; Dechambenoit, Pierre; Soldatov, Dmitriy V.; Mathonière, Corine; Clérac, Rodolphe; Coulon, Claude; Preuss, Kathryn E.","Radical‒Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior","Chemistry of Materials","2015","27","11","4023","","10.1021/acs.chemmater.5b00967","","","0.71073","MoKα","","0.0658","0.0567","","","0.1469","0.1553","","","","","","1.059","","","","has coordinates","140081","2020-10-21","18:00:00",""
"4002202","21.6251","0.0039","12.1226","0.0025","17.5034","0.0054","90","","116.012","0.006","90","","4123.7","1.7","340","2","340","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","La(hfac)3(pyDTDA)2","","","- C27 H11 F18 La N6 O6 S4 -","- C27 H11 F18 La N6 O6 S4 -","- C108 H44 F72 La4 N24 O24 S16 -","4","0.5","","Fatila, Elisabeth M.; Mayo, R. Alex; Rouzières, Mathieu; Jennings, Michael C.; Dechambenoit, Pierre; Soldatov, Dmitriy V.; Mathonière, Corine; Clérac, Rodolphe; Coulon, Claude; Preuss, Kathryn E.","Radical‒Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior","Chemistry of Materials","2015","27","11","4023","","10.1021/acs.chemmater.5b00967","","","0.71073","MoKα","","0.0499","0.0408","","","0.1096","0.1174","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002203","8.357","0.002","5.95","0.001","19.356","0.003","90","","97.453","0.005","90","","954.3","0.3","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 S2 -","- C24 H20 S2 -","- C48 H40 S4 -","2","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","0.71075","MoKα","","0.0671","0.0486","","","0.1001","0.1148","","","","","","1.073","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002204","6.0866","0.0001","7.8111","0.0001","42.5972","0.0007","90","","91.8394","0.0007","90","","2024.16","0.05","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 S2 -","- C25 H22 S2 -","- C100 H88 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.54187","CuKα","","0.1132","0.0691","","","0.1837","0.2272","","","","","","1.016","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002205","5.9541","0.0001","38.9909","0.0001","15.7295","0.0007","90","","90.0471","0.0007","90","","3651.69","0.17","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 S2 -","- C23 H18 S2 -","- C184 H144 S16 -","8","2","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.54187","CuKα","","0.1119","0.0874","","","0.2305","0.2508","","","","","","1.036","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002206","6.0957","0.0001","7.8022","0.0001","44.243","0.003","90","","93.5107","0.0007","90","","2100.24","0.15","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H24 S2 -","- C26 H24 S2 -","- C104 H96 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.5527","synchrotron","","0.1177","0.0756","","","0.2075","0.2299","","","","","","0.916","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002207","6.0861","0.0002","7.804","0.0003","49.128","0.001","90","","97.199","0.001","90","","2314.99","0.13","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H28 S2 -","- C28 H28 S2 -","- C112 H112 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.5528","synchrotron","","0.0839","0.0771","","","0.2264","0.244","","","","","","1.15","","","","has coordinates","140080","2020-10-21","18:00:00",""
"4002208","23.976","0.008","23.976","","23.976","","90","","90","","90","","13783","5","110","","110","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","","","- C240 Cd54 O4 S80 -","- C252 Cd54 O4 S80 -","- C252 Cd54 O4 S80 -","1","0.0416667","","Levchenko, Tetyana I.; Kübel, Christian; Wang, Di; Khalili Najafabadi, Bahareh; Huang, Yining; Corrigan, John F.","Controlled Solvothermal Routes to Hierarchical 3D Superparticles of Nanoscopic CdS","Chemistry of Materials","2015","27","10","3666","","10.1021/acs.chemmater.5b00586","","","0.71073","MoKα","","0.114","0.0752","","","0.2368","0.3065","","","","","","1.08","","","","has coordinates,has disorder","137845","2020-10-21","18:00:00",""
"4002209","32.116","0.002","4.6371","0.0003","12.3564","0.0008","90","","109.822","0.001","90","","1731.15","0.19","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Europium Cadmium/Zinc Antimonide","","- Cd1.65 Eu11 Sb12 Zn4.35 -","- Cd1.678 Eu11 Sb12 Zn4.322 -","- Cd3.356 Eu22 Sb24 Zn8.644 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Sui, Fan; Ohno, Saneyuki; Zevalkink, Alexandra; Snyder, Jeffrey G.; Kauzlarich, Susan M.","High Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6‒xZnxSb12","Chemistry of Materials","2015","27","12","4413","","10.1021/acs.chemmater.5b01301","","","0.71073","MoKα","","0.0569","0.0329","","","0.0571","0.0631","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002210","32.4248","0.0015","4.7079","0.0002","12.4035","0.0006","90","","109.917","0.001","90","","1780.18","0.14","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Europium Cadmium/Zinc Antimonide","","- Cd5.06 Eu11 Sb12 Zn0.94 -","- Cd5.05 Eu11 Sb12 Zn0.95 -","- Cd10.1 Eu22 Sb24 Zn1.9 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Sui, Fan; Ohno, Saneyuki; Zevalkink, Alexandra; Snyder, Jeffrey G.; Kauzlarich, Susan M.","High Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6‒xZnxSb12","Chemistry of Materials","2015","27","12","4413","","10.1021/acs.chemmater.5b01301","","","0.71073","MoKα","","0.0186","0.0176","","","0.0361","0.0364","","","","","","1.243","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002211","32.3927","0.0014","4.7025","0.0002","12.3961","0.0006","90","","109.891","0.001","90","","1775.61","0.14","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Europium Cadmium/Zinc Antimonide","","- Cd4.74 Eu11 Sb12 Zn1.25 -","- Cd4.742 Eu11 Sb12 Zn1.258 -","- Cd9.484 Eu22 Sb24 Zn2.516 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Sui, Fan; Ohno, Saneyuki; Zevalkink, Alexandra; Snyder, Jeffrey G.; Kauzlarich, Susan M.","High Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6‒xZnxSb12","Chemistry of Materials","2015","27","12","4413","","10.1021/acs.chemmater.5b01301","","","0.71073","MoKα","","0.0208","0.0189","","","0.0361","0.0367","","","","","","1.16","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002212","7.916","0.0007","6.7366","0.0003","9.078","0.0008","90","","90.737","0.007","90","","484.06","0.06","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H3 N3 O3 -","- C3 H3 N3 O3 -","- C12 H12 N12 O12 -","4","0.5","","Söllradl, Stefan; Greiwe, Magnus; Bukas, Vanessa J.; Buchner, Magnus R.; Widenmeyer, Marc; Kandemir, Timur; Zweifel, Tobias; Senyshyn, Anatoliy; Günther, Sebastian; Nilges, Tom; Türler, Andreas; Niewa, Rainer","Nitrogen-Doping in ZnO via Combustion Synthesis?","Chemistry of Materials","2015","27","12","4188","","10.1021/cm504200q","","x-ray","0.71073","MoKα","","0.0539","0.0313","","","0.0777","0.079","","","","2.18","2.18","1.64","","","","has coordinates","288070","2023-12-06","12:50:29",""
"4002213","10.8754","0.0005","10.8754","0.0005","5.6042","0.0003","90","","90","","90","","662.83","0.06","100","2","100","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Hf5 Ru0.46 Sb2.54 -","- Hf5 Ru0.46 Sb2.54 -","- Hf20 Ru1.84 Sb10.16 -","4","0.125","","Xie, Weiwei; Luo, Huixia; Seibel, Elizabeth M.; Nielsen, Morten B.; Cava, Robert J.","Superconductivity in Hf5Sb3‒xRux: Are Ru and Sb a Critical Charge-Transfer Pair for Superconductivity?","Chemistry of Materials","2015","27","13","4511","","10.1021/acs.chemmater.5b01655","","","0.71073","MoKα","","0.017","0.016","","","0.0388","0.0391","","","","","","1.153","","","","has coordinates","154593","2020-10-21","18:00:00",""
"4002214","11.5276","0.0003","12.9749","0.0004","7.0126","0.0002","90","","105.584","0.0014","90","","1010.31","0.05","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","0.25","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0564","0.0452","","","0.1317","0.1477","","","","","","1.069","","","","has coordinates,has disorder","139984","2020-10-21","18:00:00",""
"4002215","11.573","0.0015","12.8479","0.0016","6.9092","0.0009","90","","107.053","0.002","90","","982.2","0.2","155","","155","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","0.5","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0552","0.0413","","","0.1217","0.1331","","","","","","1.094","","","","has coordinates,has disorder","139985","2020-10-21","18:00:00",""
"4002216","11.37","0.003","12.818","0.003","6.918","0.0017","90.884","0.004","107.171","0.004","94.998","0.004","958.7","0.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","1","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0551","0.0449","","","0.1124","0.1174","","","","","","1.061","","","","has coordinates","139986","2020-10-21","18:00:00",""
"4002217","3.93936","0.00001","3.93936","0.00001","3.93936","0.00001","90","","90","","90","","61.1332","0.0003","298","","298","","","","","","","","","4","P m -3 m","-P 4 2 3","221","lead cobalt rhenium oxide","","","- Cr0.5 O3 Pb Re0.5 -","- Cr0.495 O3 Pb Re0.505 -","- Cr0.495 O3 Pb Re0.505 -","1","0.0208333","","Retuerto, Maria; Li, Man-Rong; Stephens, Peter W.; Sánchez-Benítez, Javier; Deng, Xiaoyu; Kotliar, Gabriel; Croft, Mark C.; Ignatov, Alexander; Walker, David; Greenblatt, Martha","Half-Metallicity in Pb2CoReO6Double Perovskite and High Magnetic Ordering Temperature in Pb2CrReO6Perovskite","Chemistry of Materials","2015","27","12","4450","","10.1021/acs.chemmater.5b01442","powder diffraction","","0.70018","","","","","","","","","","0.014","4.23","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002218","5.1928","0.0002","9.5598","0.0004","18.9575","0.0008","90","","90","","90","","941.09","0.07","90","2","90","2","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Ni2 P4 Sr -","- Ni2 P4 Sr -","- Ni16 P32 Sr8 -","8","","","Dolyniuk, Juli-Anna; Wang, Jian; Lee, Kathleen; Kovnir, Kirill","Twisted Kelvin Cells and Truncated Octahedral Cages in the Crystal Structures of Unconventional Clathrates, AM2P4(A = Sr, Ba; M = Cu, Ni)","Chemistry of Materials","2015","27","12","4476","","10.1021/acs.chemmater.5b01592","","","0.71073","MoKα","","0.0099","0.0099","","","0.0264","0.0265","","","","","","1.224","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002450","6.6353","0.0003","7.1464","0.0004","13.7788","0.0007","79.537","0.005","84.127","0.004","62.494","0.005","569.75","0.06","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H12 B10 O2 S -","- C3 H12 B10 O2 S -","- C6 H24 B20 O4 S2 -","2","1","","Thomas, John C.; Boldog, Ishtvan; Auluck, Harsharn S.; Bereciartua, Pablo J.; Dušek, Michal; Macháček, Jan; Bastl, Zdeněk; Weiss, Paul S.; Baše, Tomáš","Self-Assembledp-Carborane Analogue ofp-Mercaptobenzoic Acid on Au{111}","Chemistry of Materials","2015","27","15","5425","","10.1021/acs.chemmater.5b02263","","x-ray","1.54184","CuKα","","0.0687","0.0418","","","0.0929","0.1067","","","","1.54","1.54","1.48","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002451","9.5736","0.0002","9.49","0.0002","13.1739","0.0003","90","","90","","90","","1196.89","0.04","298","","","","","","","","","","","4","P n a 21","P 2c -2n","33","Zirconium Magnesium Molybdate","","","- Mg Mo3 O12 Zr -","- Mg Mo3 O12 Zr -","- Mg4 Mo12 O48 Zr4 -","4","1","","Romao, Carl P.; Perras, Frédéric A.; Werner-Zwanziger, Ulrike; Lussier, Joey A.; Miller, Kimberly J.; Calahoo, Courtney M.; Zwanziger, Josef W.; Bieringer, Mario; Marinkovic, Bojan A.; Bryce, David L.; White, Mary Anne","Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties","Chemistry of Materials","2015","27","7","2633","2646","10.1021/acs.chemmater.5b00429","","x-ray","1.5406","CuKα~1~,Kα~2~","K-L~2,3~","","","","","","","","","","","","","","","","has coordinates","152692","2020-10-21","18:00:00",""
"4002452","4.79674","0.00049","5.47004","0.0005","14.2965","0.0021","89.867","0.014","89.885","0.016","90","0.012","375.11","0.08","300","","300","","","","","","","","","5","P 1","P 1","1","","","","- Ba3 N8 O8 Si8 Sr -","- Ba3 N8 O8 Si8 Sr -","- Ba3 N8 O8 Si8 Sr -","1","1","","Guogang Li; Chun Che Lin; Wei-Ting Chen; Maxim S. Molokeev; Victor V. Atuchin; Chang-Yang Chiang; Wuzong Zhou; Chin-Wei Wang; Wen-Hsien Li; Hwo-Shuenn Sheu; Ting-Shan Chan; ChongGeng Ma; Ru-Shi Liu","Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms","Chemistry of Materials","2014","26","9","2991","","10.1021/cm500844v","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","","","","1.304","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4002590","3.15603","0.00009","2.85523","0.0001","4.7799","0.0002","90","","91.4521","","90","","43.059","0.003","293","","293","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- Mn Na O2 -","- Mn Na O -","- Mn2 Na2 O2 -","2","0.25","","Abakumov, Artem M.; Tsirlin, Alexander A.; Bakaimi, Ioanna; Van Tendeloo, Gustaaf; Lappas, Alexandros","Multiple Twinning As a Structure Directing Mechanism in Layered Rock-Salt-Type Oxides: NaMnO2Polymorphism, Redox Potentials, and Magnetism","Chemistry of Materials","2014","","","140509152558002","","10.1021/cm5011696","powder diffraction","neutron","2.0787","","","0.0228","0.0214","","0.0222","0.0221","","","","1.38","","","","","","","has coordinates","288070","2023-12-06","12:50:31",""
"4002591","11.6767","0.0001","11.6767","0.0001","7.5247","0.0001","90","","90","","90","","1025.96","0.018","294","","294","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0428","0.0311","","","0.0585","0.061","","","","2.03","2.03","1.79","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002592","11.68","0.0001","11.68","0.0001","7.5292","0.0001","90","","90","","90","","1027.15","0.018","322","","322","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0434","0.0315","","","0.0627","0.066","","","","2.08","2.08","1.85","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002593","11.6832","0.0001","11.6832","0.0001","7.5352","0.0001","90","","90","","90","","1028.53","0.018","353","","353","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0488","0.0344","","","0.0627","0.066","","","","2.01","2.01","1.76","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002594","11.6866","0.0001","11.6866","0.0001","7.5439","0.0001","90","","90","","90","","1030.32","0.018","384","","384","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0487","0.0329","","","0.0628","0.067","","","","1.88","1.88","1.65","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002595","11.6891","0.0001","11.6891","0.0001","7.5493","0.0001","90","","90","","90","","1031.5","0.019","394","","394","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0553","0.0354","","","0.0732","0.0797","","","","1.69","1.69","1.46","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002596","11.6858","0.0001","11.6858","0.0001","7.54","0.0001","90","","90","","90","","1029.65","0.018","368","","368","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0564","0.0361","","","0.0737","0.0828","","","","1.5","1.5","1.35","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002597","11.684","0.0001","11.684","0.0001","7.5367","0.0001","90","","90","","90","","1028.88","0.018","358","","358","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0492","0.0335","","","0.0628","0.0665","","","","1.85","1.85","1.59","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002598","11.6803","0.0001","11.6803","0.0001","7.5302","0.0001","90","","90","","90","","1027.34","0.018","327","","327","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0519","0.0355","","","0.0637","0.0676","","","","1.94","1.94","1.68","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002599","11.6782","0.0001","11.6782","0.0001","7.5269","0.0001","90","","90","","90","","1026.52","0.018","294","","294","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.38889 -","- Ba9 Co18 Gd9 O48.5 -","9","0.5625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0497","0.0324","","","0.0468","0.0496","","","","1.82","1.82","1.61","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002600","3.8764","0.0005","7.8337","0.0008","7.5594","0.0008","90","","90","","90","","229.55","0.04","404","","404","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0437","0.0388","","","0.0479","0.0486","","","","2.56","2.56","2.34","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002601","3.8741","0.0004","7.8391","0.0007","7.5618","0.0007","90","","90","","90","","229.65","0.04","414","","414","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0395","0.034","","","0.0415","0.0421","","","","2.49","2.49","2.28","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002602","3.8767","0.0004","7.8392","0.0007","7.5627","0.0008","90","","90","","90","","229.83","0.04","425","","425","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0383","0.0341","","","0.0424","0.043","","","","2.25","2.25","2.08","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002603","3.8762","0.0004","7.8446","0.0007","7.5654","0.0008","90","","90","","90","","230.04","0.04","435","","435","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0397","0.0357","","","0.0452","0.0458","","","","2.06","2.06","1.91","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002604","3.8749","0.0002","7.8567","0.0004","7.5726","0.0004","90","","90","","90","","230.54","0.02","456","","456","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0414","0.0363","","","0.0434","0.044","","","","2.26","2.26","2.1","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002605","3.8739","0.0002","7.841","0.0004","7.5641","0.0004","90","","90","","90","","229.76","0.02","420","","420","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.039","0.0343","","","0.0422","0.0427","","","","2.43","2.43","2.23","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002606","3.8741","0.0002","7.838","0.0004","7.5621","0.0004","90","","90","","90","","229.62","0.02","409","","409","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0448","0.0407","","","0.0501","0.0506","","","","3.01","3.01","2.77","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002607","3.8734","0.0005","7.8344","0.0008","7.5592","0.001","90","","90","","90","","229.39","0.05","399","","399","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0496","0.0442","","","0.0543","0.055","","","","2.34","2.34","2.12","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002608","3.8768","0.0002","7.8254","0.0004","7.5581","0.0004","90","","90","","90","","229.29","0.02","389","","389","","","","","","","","","4","P m m m","-P 2 2","47","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.3889 -","- Ba2 Co4 Gd2 O10.7778 -","2","0.25","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71069","MoKα","","0.0462","0.0417","","","0.0491","0.0494","","","","2.91","2.91","2.65","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002609","3.9297","0.0004","3.9297","0.0004","7.6112","0.0016","90","","90","","90","","117.54","0.03","787","","787","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0244","0.0227","","","0.0246","0.0255","","","","1.69","1.69","1.63","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002610","3.9104","0.0004","3.9104","0.0004","7.6039","0.0016","90","","90","","90","","116.27","0.03","663","","663","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0227","0.0212","","","0.0257","0.0261","","","","1.64","1.64","1.55","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002611","3.9018","0.0004","3.9018","0.0004","7.5603","0.0016","90","","90","","90","","115.1","0.03","445","","445","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0254","0.0247","","","0.0284","0.0286","","","","1.74","1.74","1.66","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002612","3.9007","0.0004","3.9007","0.0004","7.5558","0.0016","90","","90","","90","","114.96","0.03","425","","425","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0219","0.021","","","0.0244","0.0247","","","","1.73","1.73","1.64","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002613","3.8984","0.0004","3.8984","0.0004","7.5532","0.0016","90","","90","","90","","114.79","0.03","404","","404","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.024","0.0229","","","0.0267","0.0272","","","","1.92","1.92","1.82","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002614","3.9019","0.0004","3.9019","0.0004","7.5434","0.0016","90","","90","","90","","114.85","0.03","384","","384","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0245","0.0229","","","0.0276","0.0284","","","","1.96","1.96","1.91","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002615","3.9094","0.0004","3.9094","0.0004","7.5127","0.0016","90","","90","","90","","114.82","0.03","294","","294","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","- Ba Co2 Gd O5.19 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0244","0.0229","","","0.0251","0.0253","","","","1.79","1.79","1.68","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002616","3.893","0.0001","3.893","0.0001","7.5243","0.0001","90","","90","","90","","114.034","0.004","294","","294","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.063","0.0443","","","0.0567","0.06","","","","2.47","2.47","2.16","","","","has coordinates","288070","2023-12-06","12:50:33",""
"4002617","3.894","0.0001","3.894","0.0001","7.5288","0.0001","90","","90","","90","","114.161","0.004","322","","322","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0632","0.0447","","","0.0578","0.0608","","","","2.5","2.5","2.16","","","","has coordinates","288070","2023-12-06","12:50:34",""
"4002618","3.895","0.0001","3.895","0.0001","7.5349","0.0001","90","","90","","90","","114.312","0.004","353","","353","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0656","0.0448","","","0.0566","0.0596","","","","2.38","2.38","2.04","","","","has coordinates","288070","2023-12-06","12:50:34",""
"4002619","3.8961","0.0001","3.8961","0.0001","7.5437","0.0001","90","","90","","90","","114.51","0.004","384","","384","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0675","0.0431","","","0.0549","0.0589","","","","2.23","2.23","1.92","","","","has coordinates","288070","2023-12-06","12:50:34",""
"4002620","3.8967","0.0001","3.8967","0.0001","7.5491","0.0001","90","","90","","90","","114.628","0.004","394","","394","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0709","0.0429","","","0.0564","0.0605","","","","2.23","2.23","1.82","","","","has coordinates","288070","2023-12-06","12:50:34",""
"4002621","3.8957","0.0001","3.8957","0.0001","7.5397","0.0001","90","","90","","90","","114.426","0.004","368","","368","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.072","0.0448","","","0.0565","0.06","","","","2.22","2.22","1.82","","","","has coordinates","288070","2023-12-06","12:50:34",""
"4002622","3.8953","0.0001","3.8953","0.0001","7.5364","0.0001","90","","90","","90","","114.353","0.004","358","","358","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0751","0.0482","","","0.0605","0.0644","","","","2.52","2.52","2.12","","","","has coordinates","288070","2023-12-06","12:50:37",""
"4002623","3.8943","0.0001","3.8943","0.0001","7.5297","0.0001","90","","90","","90","","114.192","0.004","327","","327","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.0713","0.0469","","","0.0605","0.064","","","","2.52","2.52","2.12","","","","has coordinates","288070","2023-12-06","12:50:38",""
"4002624","3.8937","0.0001","3.8937","0.0001","7.5266","0.0001","90","","90","","90","","114.11","0.004","294","","294","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","- Ba Co2 Gd O5.389 -","1","0.0625","","Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa","Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures","Chemistry of Materials","2014","","","141114094038007","","10.1021/cm503132e","","x-ray","0.71073","MoKα","","0.061","0.0473","","","0.0616","0.0638","","","","3.08","3.08","2.73","","","","has coordinates","288070","2023-12-06","12:50:38",""
"4002625","4.9238","0.0007","4.9238","0.0007","7.9643","0.0012","90","","90","","120","","167.22","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe1.6 Hf Sn0.4 -","- Fe1.566 Hf Sn0.434 -","- Fe6.264 Hf4 Sn1.736 -","4","0.166667","","Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.","Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System","Chemistry of Materials","2014","","","141117155215003","","10.1021/cm503466a","","","0.71073","MoKα","","0.0245","0.023","","","0.0425","0.0428","","","","","","1.556","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002626","4.9944","0.0004","4.9944","0.0004","16.2604","0.0015","90","","90","","120","","351.26","0.05","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Fe2 Hf0.67 Sn0.33 -","- Fe2 Hf0.71 Sn0.29 -","- Fe16 Hf5.68 Sn2.32 -","8","0.333333","","Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.","Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System","Chemistry of Materials","2014","","","141117155215003","","10.1021/cm503466a","","","0.71073","MoKα","","0.0765","0.0558","","","0.0737","0.0777","","","","","","1.41","","","","has coordinates","160948","2020-10-21","18:00:00",""
"4002627","7.068","0.002","7.068","0.002","7.068","0.002","90","","90","","90","","353.09","0.17","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Fe2 Hf0.8 Sn0.2 -","- Fe2 Hf0.81 Sn0.19 -","- Fe16 Hf6.48 Sn1.52 -","8","0.0416667","","Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.","Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System","Chemistry of Materials","2014","","","141117155215003","","10.1021/cm503466a","","","0.71073","MoKα","","0.0677","0.0538","","","0.1215","0.1254","","","","","","1.193","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002628","9.7034","0.0012","16.823","0.002","8.4473","0.001","90","","90","","90","","1378.9","0.3","100","","100","","","","","","","","","3","P m m m (2*a,2*b,c)","-P 2 2 (1/2*x,1/2*y,z)","47","","","","- Fe5 Hf1.823 Sn3.815 -","- Fe5 Hf1.823 Sn3.814 -","- Fe40 Hf14.584 Sn30.512 -","8","","","Calta, Nicholas P.; Francisco, Melanie C.; Malliakas, Christos D.; Schlueter, John A.; Kanatzidis, Mercouri G.","Four High-Temperature Ferromagnets in the Hf‒Fe‒Sn System","Chemistry of Materials","2014","","","141117155215003","","10.1021/cm503466a","","x-ray","0.71073","MoKα","","0.0761","0.0688","","","0.2099","0.2143","","","","2.14","2.14","2.05","","","","has coordinates","160948","2020-10-21","18:00:00",""
"4002641","5.5526","0.00005","5.5526","0.00005","6.07271","0.00008","90","","90","","90","","187.23","0.003","295","","295","","","","100","","","","","3","P -4 n 2","P -4 -2n","118","δ-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B4 H16 Mn2 -","2","0.25","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.82577","synchrotron","","","","","","","","","5.2091","3.96","","","","","","","has coordinates","175776","2020-10-21","18:00:00",""
"4002642","7.85254","0.00006","7.85254","0.00006","12.14548","0.00017","90","","90","","90","","748.919","0.013","295","","295","","","","100","","","","","3","I 41/a c d :2","-I 4bd 2c","142","δ-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B16 H64 Mn8 -","8","0.25","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.82577","synchrotron","","","","","","","","","5.1809","4.01","","","","","","","has coordinates","175776","2020-10-21","18:00:00",""
"4002643","12.638","0.015","9.321","0.01","9.205","0.017","90","","90","","90","","1084","3","295","","295","","","","11800000","","","","","3","F d d d :2","-F 2uv 2vw","70","δ'-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B32 H128 Mn16 -","16","0.5","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.7092","synchrotron","","","","","","","","","10.6194","53.85","","","","","","","has coordinates","270525","2021-11-08","17:37:12",""
"4002644","13.0754","0.0008","11.4619","0.0007","15.1442","0.001","90","","112.377","0.0008","90","","2098.7","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cd N2 Te2 -","- C18 H26 Cd N2 Te2 -","- C72 H104 Cd4 N8 Te8 -","4","1","","Campos, Michael P.; Owen, Jonathan S.","Synthesis and Surface Chemistry of Cadmium Carboxylate Passivated CdTe Nanocrystals from Cadmiumbis(Phenyltellurolate)","Chemistry of Materials","2016","28","1","227","","10.1021/acs.chemmater.5b03914","","","0.71073","MoKα","","0.0206","0.0184","","","0.0424","0.0432","","","","","","1.105","","","","has coordinates","175777","2020-10-21","18:00:00",""
"4002645","13.6287","0.0005","13.9657","0.0004","26.6535","0.0019","85.319","0.006","89.286","0.006","86.172","0.006","5044.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H43 N6 O14 Zn3 -","- C60 H43 N6 O14 Zn3 -","- C120 H86 N12 O28 Zn6 -","2","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.0961","0.0779","","","0.2361","0.2662","","","","","","1.105","","","","has coordinates,has disorder","175778","2020-10-21","18:00:00",""
"4002646","44.6954","0.0009","44.6954","0.0009","26.7782","0.0019","90","","90","","120","","46327","4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H36 N4 O12 Zn3 -","- C48 H36 N4 O12 Zn3 -","- C864 H648 N72 O216 Zn54 -","18","0.5","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.1507","0.0983","","","0.2875","0.3463","","","","","","1.11","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002647","32.8962","0.0008","32.8962","0.0008","40.309","0.003","90","","90","","120","","37777","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H26 N3.33 O8 Zn2 -","- C36 H26 N3.33333 O8 Zn2 -","- C648 H468 N60 O144 Zn36 -","18","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.124","0.1083","","","0.3194","0.3445","","","","","","1.228","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002648","32.8817","0.0005","32.8817","0.0005","40.272","0.003","90","","90","","120","","37709","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35.75 H25.8 N3.28 O8 Zn2 -","- C35.745 H25.796 N3.28233 O8 Zn2 -","- C643.41 H464.328 N59.082 O144 Zn36 -","18","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.0931","0.0775","","","0.2572","0.2665","","","","","","1.128","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002650","28.9416","0.0004","28.9416","0.0004","28.9416","0.0004","90","","90","","90","","24242","0.6","100","2","100","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","UHM-25-Ala-Boc","","","- C36 H32 Cu2 N O13 -","- C32.625 H25.125 Cu2 N O11.5 -","- C391.5 H301.5 Cu24 N12 O138 -","12","0.5","","Sartor, Michael; Stein, Timo; Hoffmann, Frank; Fröba, Michael","A New Set of Isoreticular, Homochiral Metal‒Organic Frameworks with ucp Topology","Chemistry of Materials","2016","28","2","519","","10.1021/acs.chemmater.5b03723","","","1.54178","CuKα","","0.0857","0.0772","","","0.2309","0.2414","","","","","","1.097","","","","has coordinates","175774","2020-10-21","18:00:00",""
"4002651","29.0261","0.0006","29.0261","0.0006","29.0261","0.0006","90","","90","","90","","24454.9","0.9","100","2","100","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","UHM-25-Pro","","","- C33 H27 Cu2 N O11 -","- C33 H27 Cu2 N O11 -","- C396 H324 Cu24 N12 O132 -","12","0.5","","Sartor, Michael; Stein, Timo; Hoffmann, Frank; Fröba, Michael","A New Set of Isoreticular, Homochiral Metal‒Organic Frameworks with ucp Topology","Chemistry of Materials","2016","28","2","519","","10.1021/acs.chemmater.5b03723","","","1.54184","CuKα","","0.149","0.1208","","","0.3108","0.3364","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4002652","6.5224","0.0005","6.5224","0.0005","7.7603","0.0008","90","","90","","90","","330.14","0.05","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Ge Li2 Pb S4 -","- Ge Li2 Pb S4 -","- Ge2 Li4 Pb2 S8 -","2","0.125","","Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G.","Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression","Chemistry of Materials","2001","13","12","4714","4721","10.1021/cm0105357","","","0.71073","MoKα","","0.0253","0.0253","","","0.0646","0.0646","","","","","","1.114","","","","has coordinates","277940","2022-09-17","16:36:05",""
"4002653","12.7943","0.0008","6.3019","0.0004","10.577","0.0005","90","","90","","90","","852.81","0.09","293","","293","","","","","","","","","6","P n a n","-P 2n 2bc","52","","","","- F K0.119 Li0.7 O4 P V -","- F K0.119 Li0.7 O4 P V -","- F8 K0.952 Li5.6 O32 P8 V8 -","8","1","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","","electron","0.0251","electron","","0.3257","0.2502","","","0.2521","0.2544","","","","11.34","11.34","8.38","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002654","12.82","0.0003","6.39516","0.00014","10.61151","0.00017","90","","90","","90","","869.99","0.03","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F K O4 P V -","- F K O4 P V -","- F8 K8 O32 P8 V8 -","8","2","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","powder diffraction","x-ray","1.5418","CuKa","","0.0319","0.0271","","0.0304","0.0281","","","","1.51","","","","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002655","12.928","0.0008","6.2741","0.0004","10.6536","0.0006","90","","90","","90","","864.13","0.09","293","","293","","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- F K0.173 O4 P V -","- F K0.173 O4 P V -","- F8 K1.384 O32 P8 V8 -","8","1","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","","electron","0.0251","electron","","0.2139","0.2023","","","0.2181","0.2183","","","","12.47","12.47","11.93","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002656","6.405","0.0006","6.405","0.0006","6.1427","0.0006","90","","90","","120","","218.24","0.04","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Al1.62 Na1.62 Sn4.38 -","- Al1.62 Na1.62 Sn4.38 -","- Al1.62 Na1.62 Sn4.38 -","1","0.0833333","","Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki","Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24)","Chemistry of Materials","2016","28","2","601","","10.1021/acs.chemmater.5b04239","","","0.71075","MoKα","","0.012","0.0108","","","0.0216","0.0219","","","","","","1.128","","","","has coordinates","208253","2020-10-21","18:00:00",""
"4002657","6.3984","0.0003","6.3984","0.0003","6.1529","0.0003","90","","90","","120","","218.149","0.018","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Al1.76 Na1.76 Sn4.24 -","- Al1.758 Na1.758 Sn4.242 -","- Al1.758 Na1.758 Sn4.242 -","1","0.0833333","","Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki","Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24)","Chemistry of Materials","2016","28","2","601","","10.1021/acs.chemmater.5b04239","","","0.71075","MoKα","","0.0134","0.0126","","","0.0263","0.0266","","","","","","1.119","","","","has coordinates","208253","2020-10-21","18:00:00",""
"4002658","5.1965","0.0002","5.1965","0.0002","6.3464","0.0003","90","","90","","90","","171.376","0.012","1023","","1023","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.0199","0.0136","","0.0191","0.0132","","","0.0196","1.15","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002659","5.15885","0.00017","5.15885","0.00017","6.27","0.0003","90","","90","","90","","166.868","0.011","345","","345","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.021","0.0177","","0.0196","0.0193","","","0.028","1.39","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002660","5.2252","0.0002","5.2252","0.0002","6.4038","0.0003","90","","90","","90","","174.841","0.013","1475","","1475","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.0167","0.0115","","0.0132","0.012","","","0.016","1.2","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002661","9.42424","0.00012","4.05707","0.00005","13.34148","0.00018","90","","121.955","0.0007","90","","432.809","0.01","295","","295","","","","101.3","","","","","4","P 1 21/c 1","-P 2ybc","14","Strontium Oxide Antimony Selenide","Distrontium dioxide diantimony triselenide","","- O2 Sb2 Se3 Sr2 -","- O2 Sb2 Se3 Sr2 -","- O4 Sb4 Se6 Sr4 -","2","0.5","","Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M.","Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3","Chemistry of Materials","2016","28","3","890","","10.1021/acs.chemmater.5b04536","","x-ray","1.5406","CuKα","CuK-L~3~","","","","","","","","","1.67","","","","","","","has coordinates","177393","2020-10-21","18:00:00",""
"4002662","9.49954","0.00004","4.084794","0.000016","13.43734","0.00005","90","","122.861","0.0002","90","","437.984","0.003","295","","295","","","","101.3","","","","","4","P 1 21/c 1","-P 2ybc","14","Strontium Oxide Bismuth Selenide","Distrontium dioxide dibismuth triselenide","","- Bi2 O2 Se3 Sr2 -","- Bi2 O2 Se3 Sr2 -","- Bi4 O4 Se6 Sr4 -","2","0.5","","Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M.","Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3","Chemistry of Materials","2016","28","3","890","","10.1021/acs.chemmater.5b04536","","x-ray","1.5406","CuKα","CuK-L~3~","","","","","","","","","1.7","","","","","","","has coordinates","177393","2020-10-21","18:00:00",""
"4002663","9.82047","0.00006","4.19033","0.00003","13.90442","0.00008","90","","123.692","0.0003","90","","476.073","0.006","295","","295","","","","101.3","","","","","4","P 1 21/c 1","-P 2ybc","14","Barium Oxide Bismuth Selenide","Dibarium dioxide dibismuth triselenide","","- Ba2 Bi2 O2 Se3 -","- Ba2 Bi2 O2 Se3 -","- Ba4 Bi4 O4 Se6 -","2","0.5","","Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M.","Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3","Chemistry of Materials","2016","28","3","890","","10.1021/acs.chemmater.5b04536","","x-ray","1.5406","CuKα","CuK-L~3~","","","","","","","","","1.78","","","","","","","has coordinates","177393","2020-10-21","18:00:00",""
"4002664","22.415","0.003","22.415","0.003","22.415","0.003","90","","90","","90","","11262","3","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Calcium lithium nitridoaluminate","","","- Al156 Ca75.04 Li42.05 N220 -","- Al156 Ca75.04 Li42.048 N220 -","- Al312 Ca150.08 Li84.096 N440 -","2","0.0104167","","Wagatha, Peter; Pust, Philipp; Weiler, Volker; Wochnik, Angela S.; Schmidt, Peter J.; Scheu, Christina; Schnick, Wolfgang","Ca18.75Li10.5[Al39N55]:Eu2+—Supertetrahedron Phosphor for Solid-State Lighting","Chemistry of Materials","2016","28","4","1220","","10.1021/acs.chemmater.5b04929","","","0.71073","MoKα","","0.0414","0.0257","","","0.0569","0.0604","","","","","","0.991","","","","has coordinates","177392","2020-10-21","18:00:00",""
"4002665","30.927","0.004","26.416","0.003","31.341","0.004","90","","90","","90","","25605","5","291","2","291","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C210 H175 Au25 Cl2 F6 P10 Sb Se5 -","- C210 H175 Au25 Cl2 F6 P10 Sb Se5 -","- C840 H700 Au100 Cl8 F24 P40 Sb4 Se20 -","4","0.5","","Song, Yongbo; Jin, Shan; Kang, Xi; Xiang, Ji; Deng, Huijuan; Yu, Haizhu; Zhu, Manzhou","How a Single Electron Affects the Properties of the “Non-Superatom” Au25Nanoclusters","Chemistry of Materials","2016","28","8","2609","","10.1021/acs.chemmater.5b04655","","","0.71073","MoKα","","0.0501","0.0503","","","0.1211","0.1215","","","","","","1.065","","","","has coordinates","182490","2020-10-21","18:00:00",""
"4002666","27.378","0.002","29.361","0.002","40.7368","0.0016","90","","133.273","0.002","90","","23842","3","291","2","291","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C234 H195 Au25 B Cl2 F6 P10 Sb Se5 -","- C234 H195 Au25 B Cl2 F6 P10 Sb Se5 -","- C936 H780 Au100 B4 Cl8 F24 P40 Sb4 Se20 -","4","1","","Song, Yongbo; Jin, Shan; Kang, Xi; Xiang, Ji; Deng, Huijuan; Yu, Haizhu; Zhu, Manzhou","How a Single Electron Affects the Properties of the “Non-Superatom” Au25Nanoclusters","Chemistry of Materials","2016","28","8","2609","","10.1021/acs.chemmater.5b04655","","","0.71073","MoKα","","0.0564","0.0549","","","0.1375","0.1379","","","","","","1.009","","","","has coordinates","182490","2020-10-21","18:00:00",""
"4002667","9.1111","0.0003","8.6338","0.0003","28.408","0.001","90","","90","","90","","2234.67","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0183","0.0173","","","0.0428","0.0435","","","","","","1.18","","","","has coordinates","184455","2020-10-21","18:00:00",""
"4002668","8.7068","0.001","15.9947","0.0019","16.7613","0.0019","73.823","0.006","85.57","0.005","88.01","0.006","2234.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 I7 N3 Pb2 -","- C30 H48 I7 N3 Pb2 -","- C60 H96 I14 N6 Pb4 -","2","1","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0949","0.0758","","","0.2021","0.2252","","","","","","1.184","","","","has coordinates","184456","2020-10-21","18:00:00",""
"4002669","8.5278","0.0008","29.824","0.003","33.208","0.003","90","","90","","90","","8445.9","1.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H84 I14 N6 Pb4 -","- C54 H84 I14 N6 Pb4 -","- C216 H336 I56 N24 Pb16 -","4","1","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0212","0.0202","","","0.0472","0.0478","","","","","","1.114","","","","has coordinates","184457","2020-10-21","18:00:00",""
"4002670","4.0576","0.0005","13.6319","0.0016","21.547","0.003","90","","90","","90","","1191.8","0.3","90","2","90","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl La3 P6 Zn4 -","- Cl La3 P6 Zn4 -","- Cl4 La12 P24 Zn16 -","4","0.25","","Wang, Jian; Kaseman, Derrick; Lee, Kathleen; Sen, Sabyasachi; Kovnir, Kirill","Enclathration of X@La4Tetrahedra in Channels of Zn‒P Frameworks in La3Zn4P6X (X = Cl, Br)","Chemistry of Materials","2016","28","13","4741","","10.1021/acs.chemmater.6b01752","","","0.71073","MoKα","","0.0444","0.0313","","","0.0598","0.0644","","","","","","1.067","","","","has coordinates","184804","2020-10-21","18:00:00",""
"4002671","17.6943","0.001","17.6943","0.001","13.2921","0.0008","90","","90","","120","","3604.1","0.4","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C24 H92 Ca Cu6 N6 O53 -","- C24 H87 Ca Cu6 N6 O52.9999 -","- C48 H174 Ca2 Cu12 N12 O106 -","2","0.333333","","Grancha, Thais; Ferrando-Soria, Jesús; Cano, Joan; Amorós, Pedro; Seoane, Beatriz; Gascon, Jorge; Bazaga-García, Montse; Losilla, Enrique R.; Cabeza, Aurelio; Armentano, Donatella; Pardo, Emilio","Insights into the Dynamics of Grotthuss Mechanism in a Proton-Conducting ChiralbioMOF","Chemistry of Materials","2016","28","13","4608","","10.1021/acs.chemmater.6b01286","","","0.71073","MoKα","","0.0452","0.0367","","","0.0966","0.1017","","","","","","1.062","","","","has coordinates","184805","2020-10-21","18:00:00",""
"4002672","10.07782","0.000019","10.07782","0.000019","33.44271","0.00009","90","","90","","120","","2941.48","0.011","293","","293","","","","","","","","","4","P 63 c m","P 6c -2","185","","","perovskite","- Ba14 Mn1.75 O42 Ta10.5 -","- Ba14 Mn1.75333 O42 Ta10.2533 -","- Ba42 Mn5.26 O126 Ta30.76 -","3","0.25","","Tao, Fengqiong; Genevois, Cécile; Lu, Fengqi; Kuang, Xiaojun; Porcher, Florence; Li, Liangju; Yang, Tao; Li, Wenbo; Zhou, Di; Allix, Mathieu","First 14-Layer Twinned Hexagonal Perovskite Ba14Mn1.75Ta10.5O42: Atomic-Scale Imaging of Cation Ordering","Chemistry of Materials","2016","28","13","4686","","10.1021/acs.chemmater.6b01566","","","1.225","","","","","","","","","","","","","","","","","","has coordinates","184806","2020-10-21","18:00:00",""
"4002673","5.818857","0.000007","5.818857","0.000007","33.43938","0.00009","90","","90","","120","","980.538","0.003","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","perovskite","- Ba14 Mn1.75 O42 Ta10.5 -","- Ba14 Mn1.75 O42 Ta10.41 -","- Ba14 Mn1.75 O42 Ta10.41 -","1","0.0416667","","Tao, Fengqiong; Genevois, Cécile; Lu, Fengqi; Kuang, Xiaojun; Porcher, Florence; Li, Liangju; Yang, Tao; Li, Wenbo; Zhou, Di; Allix, Mathieu","First 14-Layer Twinned Hexagonal Perovskite Ba14Mn1.75Ta10.5O42: Atomic-Scale Imaging of Cation Ordering","Chemistry of Materials","2016","28","13","4686","","10.1021/acs.chemmater.6b01566","","","1.225","","","","","","","","","","","","","","","","","","has coordinates","184806","2020-10-21","18:00:00",""
"4002674","10.3179","0.0011","10.3179","0.0011","8.3958","0.0013","90","","90","","120","","774.06","0.17","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- B5 Be2 F O12 Sr3 -","- B4.68 Be2.32 F1.32 O11.68 Sr3 -","- B14.04 Be6.96 F3.96 O35.04 Sr9 -","3","0.166667","","Yu, Na; Wang, Shichao; Ye, Ning; Liang, Fei; Lin, Zheshuai; Luo, Min; Poeppelmeier, Kenneth R.","A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3Groups","Chemistry of Materials","2016","28","13","4563","","10.1021/acs.chemmater.6b01111","","x-ray","0.71073","MoKα","","0.0156","0.0156","","","0.037","0.037","","","","","","1.094","","","","has coordinates","184807","2020-10-21","18:00:00",""
"4002675","7.4676","0.0012","7.4676","0.0012","39.564","0.01","90","","90","","90","","2206.3","0.7","360","2","360","2","","","","","","","","5","I -4","I -4","82","","","","- C3.38 H0.12 Cl Cu N0.25 -","- C3 H8 Cl0.9975 Cu0.25 N0.5 -","- C48 H128 Cl15.96 Cu4 N8 -","16","2","","Ferreira, Cauê F.; Pérez-Cordero, Eduardo E.; Abboud, Khalil A.; Talham, Daniel R.","Reversible Medium-Dependent Solid‒Solid Phase Transformations in Two-Dimensional Hybrid Perovskites","Chemistry of Materials","2016","28","15","5522","","10.1021/acs.chemmater.6b02208","","","0.71073","MoKα","","0.172","0.118","","","0.2876","0.3166","","","","","","2.18","","","","has coordinates,has disorder","186208","2020-10-21","18:00:00",""
"4002676","10.4935","0.0004","10.5081","0.0004","18.6574","0.0007","81.916","0.001","79.455","0.001","88.315","0.001","2002.43","0.13","233","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Cl4 Cu N2 -","- C12 H32 Cl4 Cu N2 -","- C48 H128 Cl16 Cu4 N8 -","4","2","","Ferreira, Cauê F.; Pérez-Cordero, Eduardo E.; Abboud, Khalil A.; Talham, Daniel R.","Reversible Medium-Dependent Solid‒Solid Phase Transformations in Two-Dimensional Hybrid Perovskites","Chemistry of Materials","2016","28","15","5522","","10.1021/acs.chemmater.6b02208","","","0.71073","MoKα","","0.0733","0.0542","","","0.1639","0.1847","","","","","","1.053","","","","has coordinates,has disorder","186209","2020-10-21","18:00:00",""
"4002677","9.7756","0.0008","10.5354","0.0009","14.2909","0.0012","80.888","0.004","87.554","0.004","67.288","0.004","1340.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H72 N2 O2 S6 -","- C58 H72 N2 O2 S6 -","- C58 H72 N2 O2 S6 -","1","0.5","","Huang, Chi-Feng; Wu, San-Lien; Huang, Yi-Fan; Chen, Ying-Cheng; Chang, Shu-Ting; Wu, Tzu-Yi; Wu, Kuan-Yi; Chuang, Wei-Tsung; Wang, Chien-Lung","Packing Principles for Donor‒Acceptor Oligomers from Analysis of Single Crystals","Chemistry of Materials","2016","28","15","5175","","10.1021/acs.chemmater.6b00671","","","0.71073","MoKα","","0.1041","0.0778","","","0.2262","0.2654","","","","","","1.125","","","","has coordinates","186210","2020-10-21","18:00:00",""
"4002678","7.7059","0.0003","18.4574","0.0007","8.7525","0.0003","90","","90","","90","","1244.88","0.08","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Cl4 F2 N2 Pb -","- C4 H14 Cl4 F2 N2 Pb -","- C16 H56 Cl16 F8 N8 Pb4 -","4","0.5","","Lermer, Claudia; Birkhold, Susanne T.; Moudrakovski, Igor L.; Mayer, Peter; Schoop, Leslie M.; Schmidt-Mende, Lukas; Lotsch, Bettina V.","Toward Fluorinated Spacers for MAPI-Derived Hybrid Perovskites: Synthesis, Characterization, and Phase Transitions of (FC2H4NH3)2PbCl4","Chemistry of Materials","2016","28","18","6560","","10.1021/acs.chemmater.6b02151","","","0.71073","MoKα","","0.0184","0.0115","","","0.0232","0.025","","","","","","1.08","","","","has coordinates","186902","2020-10-21","18:00:00",""
"4002679","4.4434","0.0002","11.2688","0.0006","13.7677","0.0007","83.8913","0.0014","81.48","0.0017","83.1354","0.0017","674.11","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H14 Br3 F N2 O Pb -","- C5 H14 Br3 F N2 O Pb -","- C10 H28 Br6 F2 N4 O2 Pb2 -","2","1","","Lermer, Claudia; Birkhold, Susanne T.; Moudrakovski, Igor L.; Mayer, Peter; Schoop, Leslie M.; Schmidt-Mende, Lukas; Lotsch, Bettina V.","Toward Fluorinated Spacers for MAPI-Derived Hybrid Perovskites: Synthesis, Characterization, and Phase Transitions of (FC2H4NH3)2PbCl4","Chemistry of Materials","2016","28","18","6560","","10.1021/acs.chemmater.6b02151","","","0.71073","MoKα","","0.0333","0.0247","","","0.0498","0.0523","","","","","","1.052","","","","has coordinates","186902","2020-10-21","18:00:00",""
"4002680","27.88","0.003","27.88","0.003","16.0459","0.0018","90","","90","","120","","10801","2","173","2","173","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","Pan004","","","- C48 H96 Bi7 I24 Na3 O12 -","- Bi7 I24 Na3 -","- Bi21 I72 Na9 -","3","0.0833333","","Hamdeh, Umar H.; Nelson, Rainie D.; Ryan, Bradley J.; Bhattacharjee, Ujjal; Petrich, Jacob W.; Panthani, Matthew G.","Solution-Processed BiI3Thin Films for Photovoltaic Applications: Improved Carrier Collection via Solvent Annealing","Chemistry of Materials","2016","28","18","6567","","10.1021/acs.chemmater.6b02347","","","0.71073","MoKα","","0.0699","0.036","","","0.1073","0.161","","","","","","0.731","","","","has coordinates","286259","2023-09-07","05:55:28",""
"4002681","15.1588","0.001","30.997","0.002","15.7999","0.001","90","","117.826","0.001","90","","6565.6","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Bi4 I12 N8 O8 -","- C24 H56 Bi4 I12 N8 O8 -","- C96 H224 Bi16 I48 N32 O32 -","4","1","","Hamdeh, Umar H.; Nelson, Rainie D.; Ryan, Bradley J.; Bhattacharjee, Ujjal; Petrich, Jacob W.; Panthani, Matthew G.","Solution-Processed BiI3Thin Films for Photovoltaic Applications: Improved Carrier Collection via Solvent Annealing","Chemistry of Materials","2016","28","18","6567","","10.1021/acs.chemmater.6b02347","","","0.71073","MoKα","","0.0715","0.0406","","","0.0858","0.1045","","","","","","1.067","","","","has coordinates","186904","2020-10-21","18:00:00",""
"4002682","8.3699","0.0004","10.7774","0.0006","22.7215","0.0012","90","","91.857","0.001","90","","2048.53","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(py3tren)Al","","","- C21 H24 Al N7 -","- C21 H24 Al N7 -","- C84 H96 Al4 N28 -","4","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0536","0.0383","","","0.0914","0.1002","","","","","","1.022","","","","has coordinates","186905","2020-10-21","18:00:00",""
"4002683","14.511","0.002","9.9585","0.0014","15.004","0.002","90","","101.548","0.002","90","","2124.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(py3tren)AlCoCl","","","- C21 H24 Al Cl Co N7 -","- C21 H24 Al Cl Co N7 -","- C84 H96 Al4 Cl4 Co4 N28 -","4","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0647","0.0368","","","0.074","0.0842","","","","","","1.008","","","","has coordinates","186905","2020-10-21","18:00:00",""
"4002684","9.3796","0.0015","10.578","0.0017","14.373","0.002","78.924","0.002","72.613","0.002","81.559","0.002","1329.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(py3tren)AlCoMe","(py3tren)AlCoMe","","- C28 H33 Al Co N7 -","- C28 H33 Al Co N7 -","- C56 H66 Al2 Co2 N14 -","2","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0595","0.0401","","","0.0892","0.099","","","","","","1.026","","","","has coordinates,has disorder","186905","2020-10-21","18:00:00",""
"4002685","10.724","0.002","15.309","0.003","15.309","","90","","90","","90","","2513.3","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(py3tren)AlCoOPh","(py3tren)AlCoOPh","","- C27 H29 Al Co N7 O -","- C27 H29 Al Co N7 O -","- C108 H116 Al4 Co4 N28 O4 -","4","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0359","0.0333","","","0.0827","0.0843","","","","","","1.016","","","","has coordinates","186905","2020-10-21","18:00:00",""
"4002686","8.176483","0.000076","8.176483","0.000076","3.35754","0.000036","90","","90","","90","","224.468","0.004","300","","300","","","","","","","","","5","I 4/m","-I 4","87","","","","- Al3.94 Ce0.03 Mg4.06 N8 Sr1.97 -","- Al3.936 Ce0.03 Mg4.064 N8 Sr1.97 -","- Al3.936 Ce0.03 Mg4.064 N8 Sr1.97 -","1","0.0625","","Leano, Julius; Lin, Shing-Ying; Mahlik, Sebastian; Grinberg, Marek; Liang, Chaolun; Zhou, Wuzong; Molokeev, Maxim; Atuchin, Victor; Tsai, Yi-Ting; Lin, Cun Che; Sheu, Hwo-Shuenn; Liu, Ru-Shi","Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4] Phosphor for White Light-emitting Diodes","Chemistry of Materials","2016","28","19","6822","6825","10.1021/acs.chemmater.6b03442","powder diffraction","x-ray","0.68863","synchrotron","","","","","","","","","0.745","0.264","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4002687","6.863","0.002","13.479","0.005","7.505","0.001","90","","111.02","0.01","90","","648.1","0.3","","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K2 O6 P V -","- K2 O6 P V -","- K8 O24 P4 V4 -","4","1","","Korthuis, V. C.; Hoffmann, R. D.; Huang, Jinfan; Sleight, A. W.","Synthesis and crystal structure of potassium and sodium vanadium phosphates","Chemistry of Materials","1993","5","","206","209","10.1021/cm00026a009","","x-ray","0.71069","MoKα","","","0.047","","","0.072","","","","","","","","","","","has coordinates","188373","2020-10-21","18:00:00",""
"4002688","6.1805","0.0007","12.436","0.001","7.386","0.001","90","","107","0.01","90","","542.89","0.11","","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Na2 O6 P V -","- Na2 O6 P V -","- Na8 O24 P4 V4 -","4","1","","Korthuis, V. C.; Hoffmann, R. D.; Huang, Jinfan; Sleight, A. W.","Synthesis and crystal structure of potassium and sodium vanadium phosphates","Chemistry of Materials","1993","5","","206","209","10.1021/cm00026a009","","x-ray","0.71069","MoKα","","","0.03","","","0.045","","","","","","","","","","","has coordinates","188374","2020-10-21","18:00:00",""
"4002689","10.3481","0.0004","11.3487","0.0004","10.7207","0.0003","90","","111.199","0.0012","90","","1173.82","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N2 O2 S2 -","- C26 H30 N2 O2 S2 -","- C52 H60 N4 O4 S4 -","2","0.5","","Zhang, Zhiyun; Chen, Yi-An; Hung, Wen-Yi; Tang, Wei-Feng; Hsu, Yen-Hao; Chen, Chi-Lin; Meng, Fan-Yi; Chou, Pi-Tai","Control of the Reversibility of Excited-State Intramolecular Proton Transfer (ESIPT) Reaction: Host-Polarity Tuning White Organic Light Emitting Diode on a New Thiazolo[5,4-d]thiazole ESIPT System","Chemistry of Materials","2016","28","23","8815","","10.1021/acs.chemmater.6b04707","","","0.71073","MoKα","","0.0471","0.0342","","","0.0805","0.0858","","","","","","1.03","","","","has coordinates","189938","2020-10-21","18:00:00",""
"4002690","9.8522","0.0002","10.8009","0.0002","11.8811","0.0003","116.941","0.0008","95.0276","0.0008","91.8151","0.0008","1119.12","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N2 O2 S2 -","- C25 H28 N2 O2 S2 -","- C50 H56 N4 O4 S4 -","2","1","","Zhang, Zhiyun; Chen, Yi-An; Hung, Wen-Yi; Tang, Wei-Feng; Hsu, Yen-Hao; Chen, Chi-Lin; Meng, Fan-Yi; Chou, Pi-Tai","Control of the Reversibility of Excited-State Intramolecular Proton Transfer (ESIPT) Reaction: Host-Polarity Tuning White Organic Light Emitting Diode on a New Thiazolo[5,4-d]thiazole ESIPT System","Chemistry of Materials","2016","28","23","8815","","10.1021/acs.chemmater.6b04707","","","1.54178","CuKα","","0.0484","0.0413","","","0.1065","0.1112","","","","","","1.048","","","","has coordinates","189938","2020-10-21","18:00:00",""
"4002691","11.6583","0.0003","5.5671","0.0001","22.911","0.0006","90","","100.901","0.002","90","","1460.16","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SBMOF1_C2H2","","","- C14.69 H8.69 Ca O6 S -","- C14.69 H8.69 Ca O6 S -","- C58.76 H34.76 Ca4 O24 S4 -","4","1","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","1.54184","CuKα","","0.0569","0.0446","","","0.1152","0.1221","","","","","","1.106","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002692","11.5955","0.0003","5.5581","0.0001","22.9548","0.0005","90","","101.062","0.003","90","","1451.93","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SBMOF1_C2H4","","","- C14.67 H9.35 Ca O6 S -","- C14.68 H9.36 Ca O6 S -","- C58.72 H37.44 Ca4 O24 S4 -","4","1","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.71073","MoKα","","0.0442","0.0346","","","0.0845","0.0905","","","","","","1.053","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002693","11.6667","0.0011","5.5586","0.0005","22.935","0.002","90","","101.011","0.003","90","","1460","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SBMOF1_C2H6","","","- C14.86 H10.58 Ca O6 S -","- C14.86 H10.58 Ca O6 S -","- C59.44 H42.32 Ca4 O24 S4 -","4","1","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.41328","","","0.1098","0.0998","","","0.2532","0.2658","","","","","","1.082","","","","has coordinates","275236","2022-05-09","00:14:58",""
"4002694","5.1634","0.0002","10.5518","0.0005","15.4849","0.0007","82.725","0.004","87.233","0.004","83.782","0.004","831.44","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SBMOF2_C2H2","","","- C37.5 H23.5 Ca O8 -","- C37.502 H23.502 Ca O8 -","- C37.502 H23.502 Ca O8 -","1","0.5","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.71073","MoKα","","0.0682","0.0464","","","0.1103","0.1244","","","","","","1.037","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002695","5.1803","0.0003","10.6508","0.0005","15.2914","0.0006","82.591","0.004","85.945","0.004","82.739","0.004","828.67","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SBMOF1_C2H2","","","- C36.93 H25.86 Ca O8 -","- C36.93 H25.86 Ca O8 -","- C36.93 H25.86 Ca O8 -","1","0.5","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","1.54184","CuKα","","0.0743","0.053","","","0.1155","0.126","","","","","","1.07","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002696","5.2195","0.0002","10.5691","0.0005","15.3604","0.0007","82.533","0.001","86.657","0.001","83","0.001","833.14","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SBMOF2_C2H6","","","- C37.16 H29.47 Ca O8 -","- C37.158 H29.474 Ca O8 -","- C37.158 H29.474 Ca O8 -","1","0.5","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.41328","","","0.0426","0.0384","","","0.1169","0.1298","","","","","","1.208","","","","has coordinates","275236","2022-05-09","00:14:58",""
"4002697","7.4945","0.0002","14.2896","0.0004","14.8234","0.0004","95.64","0.002","101.855","0.002","92.943","0.002","1541.93","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Fe N13 O Pt -","- C31 H29 Fe N13 O Pt -","- C62 H58 Fe2 N26 O2 Pt2 -","2","1","","Pittala, Narsimhulu; Thétiot, Franck; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Cooperative 1D Triazole-Based Spin Crossover FeII Material With Exceptional Mechanical Resilience","Chemistry of Materials","2016","","","","","10.1021/acs.chemmater.6b04118","","x-ray","0.71073","MoKα","","0.0445","0.0325","","","0.0713","0.0794","","","","","","1.089","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4002698","7.8931","0.0002","14.5363","0.0004","14.6867","0.0004","94.86","0.002","103.461","0.002","94.187","0.002","1625.42","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H29 Fe N13 O Pt -","- C31 H29 Fe N13 O Pt -","- C62 H58 Fe2 N26 O2 Pt2 -","2","1","","Pittala, Narsimhulu; Thétiot, Franck; Triki, Smail; Boukheddaden, Kamel; Chastanet, Guillaume; Marchivie, Mathieu","Cooperative 1D Triazole-Based Spin Crossover FeII Material With Exceptional Mechanical Resilience","Chemistry of Materials","2016","","","","","10.1021/acs.chemmater.6b04118","","x-ray","0.71073","MoKα","","0.0509","0.035","","","0.0723","0.0807","","","","","","1.031","","","","has coordinates","189525","2020-10-21","18:00:00",""
"4002699","6.341","0.0005","6.341","0.0005","22.3947","0.0018","90","","90","","90","","900.45","0.12","300","2","300","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Na2 Sn5 Zn -","- Na2 Sn5 Zn -","- Na8 Sn20 Zn4 -","4","0.25","","Kanno, Masahiro; Yamada, Takahiro; Ikeda, Takuji; Nagai, Hideaki; Yamane, Hisanori","Thermoelectric Properties of Na2ZnSn5 Dimorphs with Na Atoms Disordered in Tunnels","Chemistry of Materials","2017","29","2","859","","10.1021/acs.chemmater.6b04896","","","0.71073","MoKα","","0.0149","0.0131","","","0.0216","0.0219","","","","","","1.192","","","","has coordinates","191332","2020-10-21","18:00:00",""
"4002700","6.355","0.006","3.723","0.003","7.749","0.007","90","","96.919","0.018","90","","182","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Gd H2 N O5 -","- Gd H2 N O5 -","- Gd2 H4 N2 O10 -","2","1","","Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning","Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05119","","","0.71073","MoKα","","0.0213","0.0205","","","0.0509","0.0511","","","","","","1.077","","","","has coordinates","190414","2020-10-21","18:00:00",""
"4002701","6.495","0.004","3.967","0.002","7.784","0.005","90","","99.913","0.011","90","","197.6","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- H2 La N O5 -","- H2 La N O5 -","- H4 La2 N2 O10 -","2","1","","Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning","Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05119","","","0.71073","MoKα","","0.0148","0.0137","","","0.0293","0.0296","","","","","","1.069","","","","has coordinates","190415","2020-10-21","18:00:00",""
"4002702","10.4084","0.0003","10.4084","0.0003","7.2791","0.0002","90","","90","","120","","682.93","0.03","298","2","298","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- Cl Ge4 Na O16 Sr2 V3 -","- Cl Ge4 Na0.9999 O16 Sr2.0001 V3 -","- Cl2 Ge8 Na1.9998 O32 Sr4.0002 V6 -","2","0.166667","","Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; Garlea, Vasile O.; Kolis, Joseph W.","Polar Materials with Isolated V4+ S = 1/2 Triangles: NaSr2V3O3(Ge4O13)Cl and KSr2V3O3(Ge4O13)Cl","Chemistry of Materials","2017","29","3","1404","","10.1021/acs.chemmater.6b05320","","","0.71073","MoKα","","0.0365","0.0365","","","0.1042","0.1042","","","","","","1.094","","","","has coordinates","193406","2020-10-21","18:00:00",""
"4002703","10.4679","0.0007","10.4679","0.0007","7.2427","0.0005","90","","90","","120","","687.31","0.08","298","2","298","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- Cl Ge4 K O16 Sr2 V3 -","- Cl Ge4 K0.9999 O16 Sr2.0001 V3 -","- Cl2 Ge8 K1.9998 O32 Sr4.0002 V6 -","2","0.166667","","Sanjeewa, Liurukara D.; McGuire, Michael A.; McMillen, Colin D.; Garlea, Vasile O.; Kolis, Joseph W.","Polar Materials with Isolated V4+ S = 1/2 Triangles: NaSr2V3O3(Ge4O13)Cl and KSr2V3O3(Ge4O13)Cl","Chemistry of Materials","2017","29","3","1404","","10.1021/acs.chemmater.6b05320","","","0.71073","MoKα","","0.038","0.0379","","","0.0846","0.0846","","","","","","1.057","","","","has coordinates","193406","2020-10-21","18:00:00",""
"4002704","10.8797","0.0012","10.8797","0.0012","6.9926","0.0015","90","","90","","120","","716.81","0.19","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Bi3 F3 I4 O13 -","- Bi3 F3 I4 O13 -","- Bi6 F6 I8 O26 -","2","0.166667","","Zhang, Min; Su, Xin; Mutailipu, Miriding; Yang, Zhihua; Pan, Shilie","Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response","Chemistry of Materials","2017","29","3","945","","10.1021/acs.chemmater.6b05468","","","0.71073","MoKα","","0.0304","0.029","","","0.0657","0.0664","","","","","","1.042","","","","has coordinates","193409","2020-10-21","18:00:00",""
"4002705","5.5744","0.0002","9.8439","0.0003","6.017","0.0002","90","","97.252","0.001","90","","327.535","0.019","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Ca1.88 Li2 Mg2 N6 Si2 Sr0.12 -","- Ca1.8738 Li2 Mg2 N6 Si2 Sr0.1262 -","- Ca3.7476 Li4 Mg4 N12 Si4 Sr0.2524 -","2","0.25","","Strobel, Philipp; Weiler, Volker; Hecht, Cora; Schmidt, Peter J.; Schnick, Wolfgang","Luminescence of the Narrow-Band Red Emitting Nitridomagnesosilicate Li2(Ca1‒xSrx)2[Mg2Si2N6]:Eu2+ (x = 0‒0.06)","Chemistry of Materials","2017","29","3","1377","","10.1021/acs.chemmater.6b05196","","","0.71073","MoKα","","0.0211","0.0181","","","0.0449","0.0467","","","","","","1.152","","","","has coordinates","193407","2020-10-21","18:00:00",""
"4002706","10.518","0.0008","10.518","0.0008","9.5385","0.0012","90","","90","","120","","913.85","0.15","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs Ga Se6 Sn2 -","- Cs Ga0.99 Se6 Sn2.01 -","- Cs3 Ga2.97 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming","Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit","Chemistry of Materials","2017","29","2","499","","10.1021/acs.chemmater.6b05026","","","0.71073","MoKα","","0.016","0.0153","","","0.0297","0.0298","","","","","","0.961","","","","has coordinates,has disorder","191235","2020-10-21","18:00:00",""
"4002707","10.652","0.0005","10.652","0.0005","9.6882","0.0008","90","","90","","120","","952","0.1","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs In Se6 Sn2 -","- Cs In0.99 Se6 Sn2.01 -","- Cs3 In2.97 Se18 Sn6.03 -","3","0.333333","","Lin, Hua; Chen, Ling; Yu, Ju-Song; Chen, Hong; Wu, Li-Ming","Infrared SHG Materials CsM3Se6 (M = Ga/Sn, In/Sn): Phase Matchability Controlled by Dipole Moment of the Asymmetric Building Unit","Chemistry of Materials","2017","29","2","499","","10.1021/acs.chemmater.6b05026","","","0.71073","MoKα","","0.0193","0.0184","","","0.0335","0.0336","","","","","","1.013","","","","has coordinates","191235","2020-10-21","18:00:00",""
"4002708","18.24578","0.00012","23.5847","0.0002","23.608","0.00017","90","","99.6853","0.0007","90","","10014.2","0.13","293.53","0.1","293.53","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Ag B9 N2 O0.5 P2 -","- C48 H59 Ag B9 N2 O0.5 P2 -","- C384 H472 Ag8 B72 N16 O4 P16 -","8","2","","Shafikov, Marsel Z.; Suleymanova, Alfiya F.; Czerwieniec, Rafał; Yersin, Hartmut","Design Strategy for Ag(I)-Based Thermally Activated Delayed Fluorescence Reaching an Efficiency Breakthrough","Chemistry of Materials","2017","29","4","1708","","10.1021/acs.chemmater.6b05175","","x-ray","1.54184","CuKα","","0.033","0.0298","","","0.083","0.0854","","","","","","1.019","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4002709","5.2878","0.0003","21.1901","0.0012","9.6973","0.0005","90","","90","","90","","1086.57","0.1","293","2","293","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- Mg4 O21 P6 Rb4 -","- Mg4 O21 P6 Rb4 -","- Mg8 O42 P12 Rb8 -","2","0.25","","Yu, Hongwei; Young, Joshua; Wu, Hongping; Zhang, Weiguo; Rondinelli, James M.; Halasyamani, P. Shiv","M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications","Chemistry of Materials","2017","29","4","1845","","10.1021/acs.chemmater.7b00167","","","0.71073","MoKα","","0.0179","0.0174","","","0.0398","0.04","","","","","","1.101","","","","has coordinates","193404","2020-10-21","18:00:00",""
"4002710","5.0933","0.0007","5.0933","0.0007","30.557","0.006","90","","90","","120","","686.5","0.19","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cu5 Eu In -","- Cu5 Eu In -","- Cu30 Eu6 In6 -","6","0.166667","","Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena","Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b04782","","","0.71073","MoKα","","0.0746","0.0504","","","0.0709","0.0756","","","","","","1.215","","","","has coordinates","192244","2020-10-21","18:00:00",""
"4002711","9.12","0.002","5.6453","0.0014","11.437","0.003","90","","90","","90","","588.8","0.2","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ag5 Eu In -","- Ag5 Eu In -","- Ag20 Eu4 In4 -","4","0.5","","Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena","Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b04782","","","0.71073","MoKα","","0.0511","0.0363","","","0.0773","0.083","","","","","","1.051","","","","has coordinates","192244","2020-10-21","18:00:00",""
"4002712","7.174","0.0003","7.174","0.0003","5.4425","0.0003","90","","90","","90","","280.11","0.02","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au5.01 Eu In0.99 -","- Au5.01 Eu In0.99 -","- Au10.02 Eu2 In1.98 -","2","0.0625","","Bigun, Inna; Steinberg, Simon; Smetana, Volodymyr; Mudryk, Yaroslav; Kalychak, Yaroslav; Havela, Ladislav; Pecharsky, Vitalij; Mudring, Anja-Verena","Magnetocaloric Behavior in Ternary Europium Indides EuT5In: Probing the Design Capability of First-Principles-Based Methods on the Multifaceted Magnetic Materials","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b04782","","","0.71073","MoKα","","0.0265","0.0228","","","0.0395","0.0403","","","","","","1.187","","","","has coordinates","192244","2020-10-21","18:00:00",""
"4002713","18.71","0.005","7.807","0.002","10.452","0.003","90","","90","","90","","1526.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H36 Cu2 N12 O9 -","- C26 H36 Cu2 N12 O9 -","- C52 H72 Cu4 N24 O18 -","2","0.5","","Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework","Chemistry of Materials","2017","29","5","2321","","10.1021/acs.chemmater.6b05497","","","0.71073","MoKα","","0.0376","0.0347","","","0.0927","0.0973","","","","","","1.047","","","","has coordinates","194777","2020-10-21","18:00:00",""
"4002714","18.7672","0.001","7.6504","0.0004","10.1885","0.0005","90","","90","","90","","1462.83","0.13","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H30 Cu2 N12 O6 -","- C26 H30 Cu2 N12 O6 -","- C52 H60 Cu4 N24 O12 -","2","0.5","","Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework","Chemistry of Materials","2017","29","5","2321","","10.1021/acs.chemmater.6b05497","","","0.71073","MoKα","","0.0608","0.043","","","0.0822","0.0941","","","","","","1.08","","","","has coordinates","194777","2020-10-21","18:00:00",""
"4002715","8.0919","0.0013","8.0919","0.0013","22.4","0.005","90","","90","","120","","1270.2","0.4","350","1","350","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 N2 O6 Zn -","- C4.0002 H10.0008 N2.0001 O6 Zn -","- C24.0012 H60.0048 N12.0006 O36 Zn6 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0163","0.0144","","","0.0379","0.0386","","","","","","1.031","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002716","8.0764","0.0003","8.0764","0.0003","22.3715","0.001","90","","90","","120","","1263.75","0.09","300","1","300","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0217","0.0189","","","0.0497","0.0514","","","","","","1.027","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002717","8.0633","0.0003","8.0633","0.0003","22.2638","0.001","90","","90","","120","","1253.59","0.09","180","1","179.91","0.18","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0141","0.0133","","","0.0335","0.0338","","","","","","1.073","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002718","8.0356","0.0004","8.0356","0.0004","22.7207","0.0016","90","","90","","120","","1270.54","0.13","345","1","345","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Mg N2 O6 -","- C4.0002 H10.0008 Mg N2.0001 O6 -","- C24.0012 H60.0048 Mg6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0496","0.0339","","","0.0715","0.0776","","","","","","1.113","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002719","8.0379","0.0003","8.0379","0.0003","22.6907","0.0012","90","","90","","120","","1269.59","0.09","280","1","280","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mg N2 O6 -","- C3.9999 H9.9993 Mg N1.9998 O6 -","- C23.9994 H59.9958 Mg6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0373","0.0287","","","0.0591","0.0627","","","","","","0.981","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002720","8.0249","0.0004","8.0249","0.0004","22.6361","0.0016","90","","90","","120","","1262.44","0.13","240","1","240","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mg N2 O6 -","- C3.9999 H9.9993 Mg N1.9998 O6 -","- C23.9994 H59.9958 Mg6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0363","0.0278","","","0.0595","0.0633","","","","","","1.011","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002721","8.198","0.002","8.2","0.002","8.933","0.003","63.28","0.03","63.31","0.03","60.06","0.03","444.8","0.3","100","0.4","100","0.4","","","","","","","","5","P 1","P 1","1","","","","- C8 H20 Mn2 N4 O12 -","- C8 H20 Mn2 N4 O12 -","- C8 H20 Mn2 N4 O12 -","1","1","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.1014","0.0892","","","0.2349","0.2484","","","","","","1.052","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002722","8.216","0.0003","8.216","0.0003","23.0005","0.001","90","","90","","120","","1344.59","0.09","330","1","330","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Mn N2 O6 -","- C4.0002 H10.0008 Mn N2.0001 O6 -","- C24.0012 H60.0048 Mn6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0228","0.0198","","","0.05","0.0512","","","","","","1.191","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002723","8.2117","0.0002","8.2117","0.0002","22.9478","0.0007","90","","90","","120","","1340.1","0.06","290","1","290","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mn N2 O6 -","- C3.9999 H9.9993 Mn N1.9998 O6 -","- C23.9994 H59.9958 Mn6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0189","0.0164","","","0.0454","0.0472","","","","","","0.973","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002724","8.2091","0.0003","8.2091","0.0003","22.8761","0.0008","90","","90","","120","","1335.07","0.08","230","1","230","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Mn N2 O6 -","- C3.9999 H9.9993 Mn N1.9998 O6 -","- C23.9994 H59.9958 Mn6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0176","0.0154","","","0.0386","0.0402","","","","","","0.966","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002725","8.1338","0.0003","8.1338","0.0003","22.6559","0.0008","90","","90","","120","","1298.07","0.08","330","1","330","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C4 H10 Fe N2 O6 -","- C4.0002 H10.0008 Fe N2.0001 O6 -","- C24.0012 H60.0048 Fe6 N12.0006 O36 -","6","0.166667","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0244","0.0197","","","0.0499","0.0517","","","","","","1.178","","","","has coordinates,has disorder","194778","2020-10-21","18:00:00",""
"4002726","8.1171","0.0002","8.1171","0.0002","22.5999","0.0007","90","","90","","120","","1289.55","0.06","280","1","280","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Fe N2 O6 -","- C3.9999 H9.9993 Fe N1.9998 O6 -","- C23.9994 H59.9958 Fe6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0229","0.0189","","","0.0399","0.0416","","","","","","1.048","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002727","8.112","0.0002","8.112","0.0002","22.5371","0.0006","90","","90","","120","","1284.35","0.06","200","1","200","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 Fe N2 O6 -","- C3.9999 H9.9993 Fe N1.9998 O6 -","- C23.9994 H59.9958 Fe6 N11.9988 O36 -","6","0.333333","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam","Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks","Chemistry of Materials","2017","29","5","2264","","10.1021/acs.chemmater.6b05249","","x-ray","0.71073","MoKα","","0.0207","0.018","","","0.039","0.0401","","","","","","1.019","","","","has coordinates","194778","2020-10-21","18:00:00",""
"4002728","15.8349","0.0011","5.962","0.0004","12.2784","0.0008","90","","111.968","0.007","90","","1075.01","0.14","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 F2 Fe Na2 O4 -","- C2 F2 Fe Na2 O4 -","- C16 F16 Fe8 Na16 O32 -","8","1","","Yao, Wenjiao; Sougrati, Moulay-Tahar; Hoang, Khang; Hui, Jianing; Lightfoot, Philip; Armstrong, A. Robert","Na2Fe(C2O4)F2: A New Iron-Based Polyoxyanion Cathode for Li/Na Ion Batteries","Chemistry of Materials","2017","29","5","2167","","10.1021/acs.chemmater.6b04859","","","0.71075","MoKα","","0.0298","0.0217","","","0.0692","0.079","","","","","","0.646","","","","has coordinates","194779","2020-10-21","18:00:00",""
"4002729","14.8082","0.0005","15.8608","0.0005","12.5156","0.0004","90","","90","","90","","2939.54","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Na2In4SSe6","","","- In8 Na4 S2 Se12 -","- In8 Na4 S2 Se12 -","- In32 Na16 S8 Se48 -","4","1","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71073","MoKα","","0.0328","0.0316","","","0.0742","0.0747","","","","","","1.078","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002730","14.1","0.007","14.1","0.007","17.01","0.006","90","","90","","120","","2929","2","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","NaGaIn2Se5","","","- Ga2 In4 Na2 Se10 -","- Ga2.01 In3.99 Na2 Se10 -","- Ga12.06 In23.94 Na12 Se60 -","6","0.333333","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71073","MoKα","","0.0195","0.0161","","","0.0307","0.0313","","","","","","0.961","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002731","24.5815","0.0006","24.5815","0.0006","17.4269","0.0008","90","","90","","120","","9119.4","0.5","293","2","293","2","","","","","","","","3","P 32","P 32","145","NaIn3Se5","","","- In3 Na Se5 -","- In3 Na Se5 -","- In108 Na36 Se180 -","36","12","","Li, Shu-Fang; Jiang, Xiao-Ming; Liu, Bin-Wen; Yan, Dong; Lin, Chen-Sheng; Zeng, Hui-Yi; Guo, Guo-Cong","Superpolyhedron-Built Second Harmonic Generation Materials Exhibit Large Mid-Infrared Conversion Efficiencies and High Laser-Induced Damage Thresholds","Chemistry of Materials","2017","29","4","1796","","10.1021/acs.chemmater.6b05405","","","0.71075","MoKα","","0.052","0.0466","","","0.0838","0.0864","","","","","","0.988","","","","has coordinates","192854","2020-10-21","18:00:00",""
"4002732","3.9365","0.0005","3.6131","0.0005","7.5421","0.0009","90","","90","","90","","107.27","0.02","293","2","293","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","titannium nitride","- Ca N2 Ti -","- Ca N2 Ti -","- Ca2 N4 Ti2 -","2","0.25","","Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran","High-Dielectric-Permittivity Layered Nitride CaTiN2","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05226","","","1.5397","","","","","","","","","","","","","","","","","","has coordinates","192856","2020-10-21","18:00:00",""
"4002733","3.9365","0.0006","3.6137","0.0005","7.543","0.001","90","","90","","90","","107.3","0.03","293","2","293","2","","","","","","","","3","P 21 m n","P -2ab 2ab","31","","","titannium nitride","- Ca N2 Ti -","- Ca N2 Ti -","- Ca2 N4 Ti2 -","2","0.5","","Li, Xiaohui; Wang, Xiaoming; Han, Yifeng; Jing, Xiping; Huang, Qingzhen; Kuang, Xiaojun; Gao, Qilong; Chen, Jun; Xing, Xianran","High-Dielectric-Permittivity Layered Nitride CaTiN2","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.6b05226","","","1.5397","","","","","","","","","","","","","","","","","","has coordinates","192856","2020-10-21","18:00:00",""
"4002734","8.191","0.0009","5.8764","0.0005","32.111","0.003","90","","92.698","0.003","90","","1543.9","0.3","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 S2 -","- C18 H16 S2 -","- C72 H64 S8 -","4","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.1698","0.0478","","","0.0879","0.1185","","","","","","0.871","","","","has coordinates","192857","2020-10-21","18:00:00",""
"4002735","4.6426","0.0006","7.6517","0.0009","13.444","0.002","86.187","0.004","82.177","0.005","84.247","0.005","470.08","0.11","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 S2 -","- C22 H24 S2 -","- C22 H24 S2 -","1","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71069","MoKα","","0.1661","0.0493","","","0.1147","0.1956","","","","","","0.903","","","","has coordinates","192858","2020-10-21","18:00:00",""
"4002736","4.7594","","8.6807","","13.1142","","89.7304","","80.9378","","77.6887","","522.511","","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H28 S2 -","- C24 H28 S2 -","- C24 H28 S2 -","1","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71075","MoKα","","0.054","0.0399","","","0.1146","0.1531","","","","","","1.149","","","","has coordinates","192859","2020-10-21","18:00:00",""
"4002737","7.8271","0.0004","8.3402","0.0004","12.3259","0.0007","90","","108.838","0.0015","90","","761.53","0.07","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H16 S2 -","- C18 H16 S2 -","- C36 H32 S4 -","2","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.7093","MoKα","","0.0835","0.0446","","","0.1225","0.1479","","","","","","1.101","","","","has coordinates","192860","2020-10-21","18:00:00",""
"4002738","5.97616","0.00012","7.9219","0.0002","43.227","0.001","88.0866","0.0011","87.4616","0.001","89.8239","0.0011","2043.33","0.08","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H52 S4 -","- C46 H52 S4 -","- C92 H104 S8 -","2","1","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","1.54187","CuKα","","0.1179","0.0709","","","0.1532","0.1869","","","","","","0.984","","","","has coordinates","192861","2020-10-21","18:00:00",""
"4002739","4.6827","0.0011","7.453","0.002","12.48","0.004","76.954","0.005","85.196","0.006","84.362","0.005","421.4","0.2","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 S2 -","- C20 H20 S2 -","- C20 H20 S2 -","1","0.5","","Minemawari, Hiromi; Tanaka, Mutsuo; Tsuzuki, Seiji; Inoue, Satoru; Yamada, Toshikazu; Kumai, Reiji; Shimoi, Yukihiro; Hasegawa, Tatsuo","Enhanced Layered-Herringbone Packing due to Long Alkyl Chain Substitution in Solution-Processable Organic Semiconductors","Chemistry of Materials","2017","29","3","1245","","10.1021/acs.chemmater.6b04628","","","0.71069","MoKα","","0.074","0.0539","","","0.1477","0.1774","","","","","","1.108","","","","has coordinates","192862","2020-10-21","18:00:00",""
"4002740","12.7445","0.0016","13.6694","0.0017","7.1892","0.0009","90","","112.459","0.002","90","","1157.4","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Mn1.67 Mo3 Na2.67 O12 -","- Mn1.66 Mo3 Na2.67 O12 -","- Mn6.64 Mo12 Na10.68 O48 -","4","0.5","","Gao, Jianhua; Zhao, Pan; Feng, Kai","Na2.67Mn1.67(MoO4)3: A 3.45 V Alluaudite-Type Cathode Candidate for Sodium-Ion Batteries","Chemistry of Materials","2017","29","3","940","","10.1021/acs.chemmater.6b05308","","","0.71073","MoKα","","0.0213","0.0205","","","0.0543","0.0547","","","","","","1.225","","","","has coordinates","192863","2020-10-21","18:00:00",""
"4002741","11.962","0.006","13.929","0.008","4.427","0.002","90","","90","","90","","737.6","0.7","273","2","273","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca3.6 Sb6 Yb1.4 -","- Al2 Ca3.6 Sb6 Yb1.4 -","- Al4 Ca7.2 Sb12 Yb2.8 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0454","0.0321","","","0.0753","0.0825","","","","","","1.134","","","","has coordinates","192864","2020-10-21","18:00:00",""
"4002742","12.0006","0.0003","13.9925","0.0004","4.4457","0.0001","90","","90","","90","","746.51","0.03","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca1.55 Sb6 Yb3.45 -","- Al2 Ca1.553 Sb6 Yb3.447 -","- Al4 Ca3.106 Sb12 Yb6.894 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0284","0.0217","","","0.0394","0.0408","","","","","","1.127","","","","has coordinates","192865","2020-10-21","18:00:00",""
"4002743","12.0321","0.0002","14.023","0.0003","4.4532","0.0001","90","","90","","90","","751.37","0.03","296","2","296","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca2.79 Sb6 Yb2.22 -","- Al2 Ca2.784 Sb6 Yb2.216 -","- Al4 Ca5.568 Sb12 Yb4.432 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0225","0.0214","","","0.0536","0.0541","","","","","","1.219","","","","has coordinates","192866","2020-10-21","18:00:00",""
"4002744","7.3254","0.0006","22.9041","0.0017","4.4094","0.0004","90","","90","","90","","739.82","0.11","273","2","273","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Al2 Ca1.58 Sb6 Yb3.42 -","- Al2 Ca1.586 Sb6 Yb3.414 -","- Al4 Ca3.172 Sb12 Yb6.828 -","2","0.25","","Nam, Gnu; Choi, Woongjin; Jo, Hongil; Ok, Kang Min; Ahn, Kyunghan; You, Tae-Soo","Influence of Thermally Activated Solid-State Crystal-to-Crystal Structural Transformation on the Thermoelectric Properties of the Ca5‒xYbxAl2Sb6 (1.0 ≤ x ≤ 5.0) System","Chemistry of Materials","2017","29","3","1384","","10.1021/acs.chemmater.6b05281","","","0.71073","MoKα","","0.0327","0.03","","","0.0624","0.0643","","","","","","1.212","","","","has coordinates","192867","2020-10-21","18:00:00",""
"4002745","9.9762","0.0009","7.8431","0.0008","28.56","0.003","90","","90.04","0.003","90","","2234.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H19 N O2 S -","- C31 H19 N O2 S -","- C124 H76 N4 O8 S4 -","4","1","","Guo, Jingjing; Li, Xiang-Long; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Su, Shi-Jian; Tang, Ben Zhong","Robust Luminescent Materials with Prominent Aggregation-Induced Emission and Thermally Activated Delayed Fluorescence for High-Performance Organic Light-Emitting Diodes","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00450","","","0.71073","MoKα","","0.1002","0.0532","","","0.1143","0.1322","","","","","","1.038","","","","has coordinates","195419","2020-10-21","18:00:00",""
"4002746","11.1152","0.0003","11.2048","0.0003","17.5909","0.0005","99.173","0.001","104.525","0.001","90.003","0.001","2091.85","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Cl8 N4 Pb2 -","- C32 H48 Cl8 N4 Pb2 -","- C64 H96 Cl16 N8 Pb4 -","2","1","","Thirumal, Krishnamoorthy; Chong, Wee Kiang; Xie, Wei; Ganguly, Rakesh; Muduli, Subas Kumar; Sherburne, Matthew; Asta, Mark; Mhaisalkar, Subodh; Sum, Tze Chien; Soo, Han Sen; Mathews, Nripan","Morphology-Independent Stable White-Light Emission from Self-Assembled Two-Dimensional Perovskites Driven by Strong Exciton‒Phonon Coupling to the Organic Framework","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00073","","","0.71073","MoKα","","0.0684","0.0625","","","0.1628","0.1705","","","","","","1.081","","","","has coordinates,has disorder","195754","2020-10-21","18:00:00",""
"4002747","16.384","0.003","28.376","0.006","13.079","0.003","90","","95.57","0.03","90","","6052","2","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C57 H36 N12 Ni3 O18 -","- C57 H33 N12 Ni3 O18 -","- C114 H66 N24 Ni6 O36 -","2","0.5","","Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo","Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks","Chemistry of Materials","2017","29","9","3899","","10.1021/acs.chemmater.6b05277","","","0.71073","MoKα","","0.2243","0.1322","","","0.313","0.3923","","","","","","1.016","","","","has coordinates","197392","2020-10-21","18:00:00",""
"4002748","16.657","0.002","16.657","0.002","13.173","0.003","90","","90","","120","","3165.3","0.9","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C19 H12 N4 Ni O6 -","- C19 H11 N4 Ni O6 -","- C114 H66 N24 Ni6 O36 -","6","1","","Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo","Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks","Chemistry of Materials","2017","29","9","3899","","10.1021/acs.chemmater.6b05277","","","0.67","synchrotron","","0.1898","0.1364","","","0.3774","0.4123","","","","","","1.422","","","","has coordinates,has disorder","197392","2020-10-21","18:00:00",""
"4002749","14.59","0.003","8.1879","0.0016","20.584","0.004","90","","90.36","0.03","90","","2458.9","0.8","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- I9 Rb3 Sb2 -","- I9 Rb3 Sb2 -","- I36 Rb12 Sb8 -","4","1","","McCall, Kyle M.; Stoumpos, Constantinos C.; Kostina, Svetlana S.; Kanatzidis, Mercouri G.; Wessels, Bruce W.","Strong Electron‒Phonon Coupling and Self-Trapped Excitons in the Defect Halide Perovskites A3M2I9 (A = Cs, Rb; M = Bi, Sb)","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b01184","","","0.71073","MoKα","","0.1206","0.081","","","0.17","0.1889","","","","","","1.172","","","","has coordinates","195808","2020-10-21","18:00:00",""
"4002750","12.104","0.004","8.399","0.002","14.421","0.004","90","","90.288","0.005","90","","1466","0.7","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H16 F8 -","- C48 H16 F8 -","- C96 H32 F16 -","2","0.5","","Hiszpanski, Anna M.; Woll, Arthur R.; Kim, Bumjung; Nuckolls, Colin; Loo, Yueh-Lin","Altering the Polymorphic Accessibility of Polycyclic Aromatic Hydrocarbons with Fluorination","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00627","","","0.71073","MoKα","","0.0698","0.0491","","","0.1188","0.1367","","","","","","1.053","","","","has coordinates","195926","2020-10-21","18:00:00",""
"4002751","9.602","0.004","10.452","0.004","11.076","0.005","93.925","0.005","109.054","0.005","97.992","0.006","1032.8","0.7","173.15","","173.15","","","","","","","","","2","P -1","-P 1","2","","","","- C32 H22 -","- C32 H22 -","- C64 H44 -","2","1","","Ju, Huajun; Wang, Kang; Zhang, Jing; Geng, Hua; Liu, Zitong; Zhang, Guanxin; Zhao, Yongsheng; Zhang, Deqing","1,6- and 2,7-trans-β-Styryl Substituted Pyrenes Exhibiting Both Emissive and Semiconducting Properties in the Solid State","Chemistry of Materials","2017","29","8","3580","","10.1021/acs.chemmater.7b00056","","","0.71073","MoKα","","0.0665","0.0568","","","0.1366","0.1437","","","","","","1.096","","","","has coordinates","195935","2020-10-21","18:00:00",""
"4002752","8.6082","0.0001","16.554","0.0003","17.9068","0.0003","90","","90","","90","","2551.72","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dipropylammonium trichloroacetate","","","- C8 H16 Cl3 N O2 -","- C8 H16 Cl3 N O2 -","- C64 H128 Cl24 N8 O16 -","8","2","","Ji, Chengmin; Wang, Sasa; Liu, Sijie; Sun, Zhihua; Zhang, Jing; Li, Lina; Luo, Junhua","Exceptional Three-Level Switching Behaviors of Quadratic Nonlinear Optical Properties in a Tristable Molecule-Based Dielectric","Chemistry of Materials","2017","29","7","3251","","10.1021/acs.chemmater.7b00524","","","1.54184","CuKα","","0.047","0.0449","","","0.1179","0.1206","","","","","","1.039","","","","has coordinates","195936","2020-10-21","18:00:00",""
"4002753","17.9259","0.0007","8.5845","0.0002","17.7048","0.0006","90","","90","","90","","2724.5","0.15","240","2","240","2","","","","","","","","5","P n m a","-P 2ac 2n","62","dipropylammonium trichloroacetate","","","- C8 H16 Cl3 N O2 -","- C8 H16 Cl3 N O2 -","- C64 H128 Cl24 N8 O16 -","8","1","","Ji, Chengmin; Wang, Sasa; Liu, Sijie; Sun, Zhihua; Zhang, Jing; Li, Lina; Luo, Junhua","Exceptional Three-Level Switching Behaviors of Quadratic Nonlinear Optical Properties in a Tristable Molecule-Based Dielectric","Chemistry of Materials","2017","29","7","3251","","10.1021/acs.chemmater.7b00524","","","0.71073","MoKα","","0.1482","0.1036","","","0.3228","0.367","","","","","","1.081","","","","has coordinates,has disorder","195937","2020-10-21","18:00:00",""
"4002754","5.3533","0.0002","8.4519","0.0003","20.8245","0.0007","99.5419","0.0015","90.1363","0.0015","94.5565","0.0015","926.13","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 N2 O6 S2 -","- C38 H56 N2 O6 S2 -","- C38 H56 N2 O6 S2 -","1","0.5","","Fu, Chaoying; Beldon, Patrick J.; Perepichka, Dmitrii F.","H-Bonding Control of Supramolecular Ordering of Diketopyrrolopyrroles","Chemistry of Materials","2017","29","7","2979","","10.1021/acs.chemmater.6b05327","","x-ray","1.34139","GaKα","","0.037","0.0349","","","0.0901","0.0919","","","","","","1.054","","","","has coordinates,has disorder","195938","2020-10-21","18:00:00",""
"4002755","5.2636","0.0002","8.2569","0.0003","18.3521","0.0006","78.975","0.0015","85.35","0.0016","85.965","0.0016","779.08","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N2 O8 -","- C32 H44 N2 O8 -","- C32 H44 N2 O8 -","1","0.5","","Fu, Chaoying; Beldon, Patrick J.; Perepichka, Dmitrii F.","H-Bonding Control of Supramolecular Ordering of Diketopyrrolopyrroles","Chemistry of Materials","2017","29","7","2979","","10.1021/acs.chemmater.6b05327","","x-ray","1.34139","GaKα","","0.1048","0.0799","","","0.2165","0.2435","","","","","","1.055","","","","has coordinates","195939","2020-10-21","18:00:00",""
"4002756","3.23914","0.00007","6.2347","0.00016","9.4884","0.0003","104.736","0.0013","90.6239","0.0013","91.943","0.003","185.172","0.009","300","","300","","","","","","","","","4","P -1","-P 1","2","","Mg2_3Mn4_3B2O5","","- B2 Mg0.66 Mn1.33 O5 -","- B2 Mg0.666 Mn1.334 O5 -","- B4 Mg1.332 Mn2.668 O10 -","2","1","","Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.","MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries","Chemistry of Materials","2017","29","7","3118","","10.1021/acs.chemmater.7b00177","powder diffraction","","1.5418","CuKα","","","","","","","","","4.4511","1.337","","","","","","","has coordinates","195940","2020-10-21","18:00:00",""
"4002757","3.18809","0.00007","6.2021","0.00012","9.36747","0.0002","104.556","0.0015","90.5538","0.0015","92.0289","0.0014","179.131","0.007","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- B2 Mg1.33 Mn0.66 O5 -","- B2.00002 Mg1.333 Mn0.667 O5.00005 -","- B4.00004 Mg2.666 Mn1.334 O10.0001 -","2","1","","Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.","MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries","Chemistry of Materials","2017","29","7","3118","","10.1021/acs.chemmater.7b00177","powder diffraction","","1.59669","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.2207","2.75","","","","","","","has coordinates","195940","2020-10-21","18:00:00",""
"4002758","3.20758","0.00009","6.2134","0.0002","9.4127","0.0004","104.623","0.002","90.511","0.002","92.012","0.003","181.376","0.011","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- B2 Mg Mn O5 -","- B2 Mg Mn O5 -","- B4 Mg2 Mn2 O10 -","2","1","","Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.","MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries","Chemistry of Materials","2017","29","7","3118","","10.1021/acs.chemmater.7b00177","powder diffraction","","1.59619","ConstantWavelengthNeutronDiffraction","","","","","","","","","16.6247","1.82","","","","","","","has coordinates","195940","2020-10-21","18:00:00",""
"4002759","5.1503","0.0001","5.1503","0.0001","13.8069","0.0006","90","","90","","120","","317.17","0.016","296","2","296","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Ba Fe4 O7 -","- Ba Fe4 O7 -","- Ba2 Fe8 O14 -","2","0.166667","","Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad","BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures","Chemistry of Materials","2017","29","7","2689","","10.1021/acs.chemmater.7b00580","","","0.71073","MoKα","","0.025","0.0189","","","0.045","0.048","","","","","","1.133","","","","has coordinates","195941","2020-10-21","18:00:00",""
"4002760","16.281","0.003","18.231","0.004","20.595","0.004","90","","92.011","0.003","90","","6109","2","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C146 H170 N8 S4 Si2 -","- C146 H170 N8 S4 Si2 -","- C292 H340 N16 S8 Si4 -","2","0.5","","Gu, Pei-Yang; Wang, Zongrui; Liu, Guangfeng; Yao, Huiying; Wang, Zilong; Li, Yang; Zhu, Jia; Li, Shuzhou; Zhang, Qichun","Synthesis, Full Characterization, and Field Effect Transistor Behavior of a Stable Pyrene-Fused N-Heteroacene with Twelve Linearly Annulated Six-Membered Rings","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b01318","","","0.71073","MoKα","","0.1883","0.1381","","","0.3882","0.433","","","","","","1.721","","","","has coordinates,has disorder","196190","2020-10-21","18:00:00",""
"4002761","9.07499","0.00008","12.91082","0.00012","5.48835","0.00004","90","","91.9854","0.0005","90","","642.66","0.009","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Na2Fe2Si2O7","- Fe2 Na2 O7 Si2 -","- Fe2 Na2 O7 Si2 -","- Fe8 Na8 O28 Si8 -","4","1","","Panigrahi, Abhishek; Nishimura, Shin-ichi; Shimada, Tatau; Watanabe, Eriko; Zhao, Wenwen; Oyama, Gosuke; Yamada, Atsuo","Sodium Iron(II) Pyrosilicate Na2Fe2Si2O7: A Potential Cathode Material in the Na2O-FeO-SiO2 System","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00764","powder diffraction","","1.19566","synchrotron","","","","","","","","","1.93","1.65","","","","","","","has coordinates","196649","2020-10-21","18:00:00",""
"4002817","5.188995","0.000016","4.230802","0.000012","7.86657","0.00002","90","","90","","90","","172.7","0.0008","100","","100","","","","","","","","","2","P m m a","-P 2a 2a","51","","","CuBi","- Bi Cu -","- Bi Cu -","- Bi4 Cu4 -","4","0.5","","Clarke, Samantha M.; Amsler, Maximilian; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Wolverton, Chris; Freedman, Danna E.","Creating Binary Cu‒Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study","Chemistry of Materials","2017","29","12","5276","","10.1021/acs.chemmater.7b01418","powder diffraction","","0.414204","","","1.107","","","","","","","","1.15","","","","","","","has coordinates","198416","2020-10-21","18:00:00",""
"4002818","39.1","0.008","16.748","0.003","16.501","0.003","90","","90.01","0.03","90","","10806","4","100","2","100","2","","","","","","","","4","P 21/m 1 1","-P 2xa","11","","","","- C120 H120 N80 O69 -","- C120 H120 N80 O69 -","- C240 H240 N160 O138 -","2","0.5","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.1434","0.1357","","","0.3568","0.3649","","","","","","1.082","","","","has coordinates,has disorder","199569","2020-10-21","18:00:00",""
"4002819","20.918","0.004","21.165","0.004","23.176","0.005","71.16","0.03","67.42","0.03","75.08","0.03","8861","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H98 Ba2 Cl4 N60 O40.5 -","- C90 H98 Ba2 Cl4 N60 O40.5 -","- C180 H196 Ba4 Cl8 N120 O81 -","2","1","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.71081","silicondoublecrystalmonochromatedsynchrotron","","0.1981","0.1638","","","0.424","0.4507","","","","","","1.158","","","","has coordinates,has disorder","199569","2020-10-21","18:00:00",""
"4002820","21.596","0.004","22.162","0.004","22.803","0.005","63.31","0.03","85.66","0.03","63.71","0.03","8638","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H110.5 Cl4.05 Gd2 N60 O45.25 -","- C90 H110.5 Cl4.05 Gd2 N60 O45.25 -","- C180 H221 Cl8.1 Gd4 N120 O90.5 -","2","1","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0935","0.0829","","","0.245","0.2552","","","","","","1.033","","","","has coordinates","199569","2020-10-21","18:00:00",""
"4002821","9.4725","0.0005","9.9447","0.0005","21.4361","0.0011","91.872","0.001","92.148","0.001","95.903","0.001","2005.83","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","BiI5","","","- C16 H40 Bi2 I10 N4 O0 -","- C16 H40 Bi2 I10 N4 -","- C32 H80 Bi4 I20 N8 -","2","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.0207","0.0192","","","0.0417","0.0424","","","","","","1.056","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002822","19.724","0.014","11.129","0.008","16.62","0.012","90","","107.465","0.008","90","","3480","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BiBr5","","","- C8 H20 Bi Br5 N2 O0 -","- C8 H20 Bi Br5 N2 -","- C64 H160 Bi8 Br40 N16 -","8","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.0591","0.0495","","","0.1354","0.1416","","","","","","1.017","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002823","19.0664","0.0007","10.6827","0.0004","16.0947","0.0005","90","","108.666","0.002","90","","3105.75","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BiCl5","","","- C8 H20 Bi Cl5 N2 O0 -","- C8 H20 Bi Cl5 N2 -","- C64 H160 Bi8 Cl40 N16 -","8","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.02","0.0191","","","0.0445","0.045","","","","","","1.06","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002824","18.086","0.006","9.287","0.003","20.238","0.007","90","","112.631","0.004","90","","3137.5","1.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Bi2I7Cl2","","","- C12 H30 Bi2 Cl2 I7 N3 O0 -","- C12 H30 Bi2 Cl2 I7 N3 -","- C48 H120 Bi8 Cl8 I28 N12 -","4","1","","Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen","Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material","Chemistry of Materials","2017","29","13","5463","","10.1021/acs.chemmater.7b01017","","","0.71073","MoKα","","0.0447","0.0419","","","0.1244","0.1267","","","","","","1.023","","","","has coordinates","200653","2020-10-21","18:00:00",""
"4002825","15.122","0.002","15.122","0.002","74.834","0.015","90","","90","","120","","14820","4","293","2","293","2","","","","","","","","2","R -3 :H","-R 3","148","Zn3Sb2","","","- Sb2 Zn2.91 -","- Sb2 Zn2.91253 -","- Sb252 Zn366.979 -","126","7","","Lo, Chun-Wan Timothy; Ortiz, Brenden R.; Toberer, Eric S.; He, Allan; Svitlyk, Volodymyr; Chernyshov, Dmitry; Kolodiazhnyi, Taras; Lidin, Sven; Mozharivskyj, Yurij","Synthesis, Structure, and Thermoelectric Properties of α-Zn3Sb2 and Comparison to β-Zn13Sb10","Chemistry of Materials","2017","29","12","5249","","10.1021/acs.chemmater.7b01214","","","0.71073","MoKα","","0.1671","0.0891","","","0.1457","0.1812","","","","","","1.134","","","","has coordinates","198354","2020-10-21","18:00:00",""
"4002826","9.7723","0.0004","9.7723","0.0004","27.006","0.002","90","","90","","120","","2233.5","0.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ba6 Ga2 S16 Zn7 -","- Ba6 Ga2 S16 Zn6.99 -","- Ba18 Ga6 S48 Zn20.97 -","3","0.333333","","Li, Yan-Yan; Liu, Peng-Fei; Wu, Li-Ming","Ba6Zn7Ga2S16: A Wide Band Gap Sulfide with Phase-Matchable Infrared NLO Properties","Chemistry of Materials","2017","29","12","5259","","10.1021/acs.chemmater.7b01321","","","0.71073","MoKα","","0.0253","0.0231","","","0.0424","0.0446","","","","","","0.968","","","","has coordinates","198355","2020-10-21","18:00:00",""
"4002827","8.2706","0.0003","6.1998","0.0003","10.525","0.001","90","","103.38","0.01","90","","525.03","0.06","","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H6 Al3 F10 N -","- C4.998 H6 Al3 F10 N1.002 -","- C9.996 H12 Al6 F20 N2.004 -","2","0.25","","Harlow, Richard L.; Herron, Norman; Li, Zhigang; Vogt, Thomas; Solovyov, Leonid; Kirik, Sergei","The DuPont Powder Challenge: the crystal structure of [C5NH6][Al3F10] - A cautionary tale","Chemistry of Materials","1999","11","","2562","2567","","powder diffraction","x-ray","0.43788","","","","","","","","","","0.048","","","","","","","","has coordinates","198511","2020-10-21","18:00:00",""
"4002828","15.417","0.003","4.0742","0.0008","8.319","0.0017","90","","112.94","0.03","90","","481.2","0.2","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Potassium_Copper_Selenide","","","- Cu3 K Se2 -","- Cu3 K Se2 -","- Cu12 K4 Se8 -","4","0.5","","Rettie, Alexander J. E.; Sturza, Mihai; Malliakas, Christos D.; Botana, Antia S.; Chung, Duck Young; Kanatzidis, Mercouri G.","Copper Vacancies and Heavy Holes in the Two-Dimensional Semiconductor KCu3‒xSe2","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b02117","","","0.71073","MoKα","","0.0538","0.0382","","","0.0934","0.097","","","","","","0.951","","","","has coordinates","198648","2020-10-21","18:00:00",""
"4002829","5.108967","0.000085","5.108967","0.000085","12.48752","0.00029","90","","90","","120","","282.275","0.009","300","","300","","","","","","","","","4","P 32","P 32","145","","","","- Al3 Na3 O12 Si3 -","- Al3 Na3 O12 Si3 -","- Al3 Na3 O12 Si3 -","1","0.333333","","Zhao, Ming; Xia, Zhiguo; Molokeev, Maxim S.; Ning, Lixin; Liu, Quanlin","Temperature and Eu2±Doping Induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.94","1.548","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4002830","5.1532","0.0002","5.1532","0.0002","13.8134","0.0006","90","","90","","120","","317.68","0.02","300","2","300","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- Ba0.89 Fe4 K0.21 O7 -","- Ba0.89 Fe4 K0.212 O7 -","- Ba1.78 Fe8 K0.424 O14 -","2","0.166667","","Ferreira, Timothy; Morrison, Gregory; Chance, W. Michael; Calder, Stuart; Smith, Mark D.; zur Loye, Hans-Conrad","BaFe4O7 and K0.22Ba0.89Fe4O7: Canted Antiferromagnetic Diferrites with Exceptionally High Magnetic Ordering Temperatures","Chemistry of Materials","2017","29","7","2689","","10.1021/acs.chemmater.7b00580","","","0.71073","MoKα","","0.0206","0.0174","","","0.0399","0.0409","","","","","","1.393","","","","has coordinates","199570","2020-10-21","18:00:00",""
"4002831","15.612","0.002","15.612","0.002","4.0168","0.0006","90","","90","","120","","847.9","0.2","295","2","295","2","","","","","","","","3","P 3","P 3","143","","","","- Bi13 I2 S18 -","- Bi13 I2 S18 -","- Bi13 I2 S18 -","1","0.333333","","Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.","Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00702","","","0.71073","MoKα","","0.0217","0.0196","","","0.0427","0.0434","","","","","","1.077","","","","has coordinates","198938","2020-10-21","18:00:00",""
"4002832","15.612","0.002","15.612","0.002","4.0168","0.0006","90","","90","","120","","847.9","0.2","298","2","298","2","","","","","","","","3","P 63","P 6c","173","","","","- Bi12.67 I2 S18 -","- Bi12.9516 I2 S18 -","- Bi12.9516 I2 S18 -","1","0.166667","","Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.","Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00702","","","0.71073","MoKα","","0.0178","0.0166","","","0.0356","0.0359","","","","","","1.134","","","","has coordinates","198938","2020-10-21","18:00:00",""
"4002833","20.852","0.004","21.303","0.004","22.769","0.005","71.45","0.03","66.73","0.03","74.75","0.03","8699","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H104 Ce2 Cl4 N60 O57.5 -","- C90 H104 Ce2 Cl4 N60 O57.5 -","- C180 H208 Ce4 Cl8 N120 O115 -","2","1","","Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang","Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations","Chemistry of Materials","2017","29","13","5468","","10.1021/acs.chemmater.7b01751","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0975","0.079","","","0.2363","0.2519","","","","","","1.05","","","","has coordinates","199514","2020-10-21","18:00:00",""
"4002834","7.332028","0.000092","7.332028","0.000092","7.332028","0.000092","90","","90","","90","","394.16","0.009","1073","","1073","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Al2 Na2.28 O8 Si2 -","- Al2 Na2.282 O8 Si2 -","- Al4 Na4.564 O16 Si4 -","2","0.0208333","","Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu","Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","6559","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.46","1.199","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4002835","9.9762","0.00023","9.9762","0.00023","8.34957","0.0002","90","","90","","120","","719.66","0.03","300","","300","","","","","","","","","4","P 63","P 6c","173","","","Nepheline","- Al4 Na3.49 O16 Si4 -","- Al4 Na3.493 O16 Si4 -","- Al8 Na6.986 O32 Si8 -","2","0.333333","","Ming Zhao; Zhiguo Xia; Maxim S. Molokeev; Lixin Ning; Quanlin Liu","Temperature and Eu2+ Doping induced Phase Selection in NaAlSiO4 Polymorphs and the Controlled Yellow/Blue Emission","Chemistry of Materials","2017","29","15","6552","6559","10.1021/acs.chemmater.7b02548","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.8","1.421","","","","","","","has coordinates","199650","2020-10-21","18:00:00",""
"4002836","16.475","0.004","24.378","0.005","29.61","0.006","90","","102.95","0.003","90","","11590","4","296","2","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C180 H150 Au23 Br7 P10 Pd2 -","- C180 H150 Au23 Br7 P10 Pd2 -","- C360 H300 Au46 Br14 P20 Pd4 -","2","0.5","","Kang, Xi; Xiang, Ji; Lv, Ying; Du, Wenjun; Yu, Haizhu; Wang, Shuxin; Zhu, Manzhou","Synthesis and Structure of Self-Assembled Pd2Au23(PPh3)10Br7 Nanocluster: Exploiting Factors That Promote Assembly of Icosahedral Nano-Building-Blocks","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b02015","","","0.71073","MoKα","","0.1665","0.0809","","","0.1441","0.1696","","","","","","0.909","","","","has coordinates","199720","2020-10-21","18:00:00",""
"4002837","10.2959","0.0013","10.2959","0.0013","10.2959","0.0013","90","","90","","90","","1091.4","0.2","40","0.2","40","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0147","0.0127","","","0.0254","0.034","","","","","","1.387","","","","has coordinates","200652","2020-10-21","18:00:00",""
"4002838","10.32","0.002","10.32","0.002","10.32","0.002","90","","90","","90","","1099.1","0.4","500","0.2","500","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0238","0.0213","","","0.0433","0.0452","","","","","","1.053","","","","has coordinates","200148","2020-10-21","18:00:00",""
"4002839","10.3111","0.0007","10.3111","0.0007","10.3111","0.0007","90","","90","","90","","1096.26","0.13","298","0.2","298","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0239","0.0225","","","0.0468","0.048","","","","","","1.203","","","","has coordinates","200149","2020-10-21","18:00:00",""
"4002840","10.3004","0.0015","10.3004","0.0015","10.3004","0.0015","90","","90","","90","","1092.9","0.3","100","0.2","100","0.2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ag6 Ge10 P12 -","- Ag6 Ge10 P12 -","- Ag12 Ge20 P24 -","2","0.0416667","","Nuss, Jürgen; Wedig, Ulrich; Xie, Wenjie; Yordanov, Petar; Bruin, Jan; Hübner, Ralph; Weidenkaff, Anke; Takagi, Hidenori","Phosphide‒Tetrahedrite Ag6Ge10P12: Thermoelectric Performance of a Long-Forgotten Silver-Cluster Compound","Chemistry of Materials","2017","29","16","6956","","10.1021/acs.chemmater.7b02474","","x-ray","0.71073","MoKα","","0.0235","0.0217","","","0.0463","0.0493","","","","","","1.213","","","","has coordinates","200150","2020-10-21","18:00:00",""
"4002841","11.449","0.002","11.435","0.002","10.144","0.002","90","","90","","90","","1328","0.4","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C4 H8 Cl2 Fe2 Li2 O12 -","- C4 H8 Cl2 Fe2 Li2 O12 -","- C16 H32 Cl8 Fe8 Li8 O48 -","4","1","","Yao, Wenjiao; Clark, Lucy; Xia, Mingjun; Li, Teng; Lee, Stephen L.; Lightfoot, Philip","Diverse Family of Layered Frustrated Magnets with Tailorable Interlayer Interactions","Chemistry of Materials","2017","29","16","6616","","10.1021/acs.chemmater.7b02434","","","0.71073","MoKα","","0.068","0.0395","","","0.0738","0.0839","","","","","","1.051","","","","has coordinates","200151","2020-10-21","18:00:00",""
"4002842","6.213","0.002","9.183","0.003","14.383","0.005","94.287","0.005","100.125","0.005","106.893","0.005","766","0.4","273.1","","273.1","","","","","","","","","4","P -1","-P 1","2","","4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)-benzo[1,2-d:4,5-d']bis(thiazole)","","- C16 H20 N S2 -","- C16 H18 N S2 -","- C32 H36 N2 S4 -","2","1","","Zhang, Siyuan; Zhang, Junxiang; Abdelsamie, Maged; Shi, Qinqin; Zhang, Yadong; Parker, Timothy C.; Jucov, Evgheni V.; Timofeeva, Tatiana V.; Amassian, Aram; Bazan, Guillermo C.; Blakey, Simon B.; Barlow, Stephen; Marder, Seth R.","Intermediate-Sized Conjugated Donor Molecules for Organic Solar Cells: Comparison of Benzodithiophene and Benzobisthiazole-Based Cores","Chemistry of Materials","2017","29","18","7880","","10.1021/acs.chemmater.7b02665","","","0.71073","MoKα","","0.0683","0.0603","","","0.1759","0.1847","","","","","","1.003","","","","has coordinates","201746","2020-10-21","18:00:00",""
"4002843","23.7318","0.001","27.7793","0.0013","38.156","0.0017","90","","100.061","0.002","90","","24767.6","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C144 H157.5 N6 S9 -","- C144 H157.5 N6 S9 -","- C1152 H1260 N48 S72 -","8","1","","Abe, Yuichiro; Savikhin, Victoria; Yin, Jun; Grimsdale, Andrew C.; Soci, Cesare; Toney, Michael F.; Lam, Yeng Ming","Unique Reversible Crystal-to-Crystal Phase Transition—Structural and Functional Properties of Fused Ladder Thienoarenes","Chemistry of Materials","2017","29","18","7686","","10.1021/acs.chemmater.7b01226","","","1.54178","CuKα","","0.1858","0.1678","","","0.4527","0.4741","","","","","","2.079","","","","has coordinates,has disorder","201745","2020-10-21","18:00:00",""
"4002844","14.3203","0.0005","14.3203","0.0005","9.7057","0.0004","90","","90","","120","","1723.7","0.11","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Ga5 Hg4 K Se12 -","- Ga5.001 Hg3.999 K Se12 -","- Ga15.003 Hg11.997 K3 Se36 -","3","0.333333","","Zhou, Molin; Yang, Yi; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian","Hg-Based Infrared Nonlinear Optical Material KHg4Ga5Se12 Exhibits Good Phase-Matchability and Exceptional Second Harmonic Generation Response","Chemistry of Materials","2017","29","18","7993","","10.1021/acs.chemmater.7b03143","","","0.71073","MoKα","","0.0463","0.0434","","","0.087","0.0905","","","","","","1.026","","","","has coordinates","201748","2020-10-21","18:00:00",""
"4002845","12.0903","0.0014","12.0903","0.0014","7.5333","0.0009","90","","90","","120","","953.65","0.19","90","2","90","2","","","","","","","","5","P 31","P 31","144","Co3(HCOO)5Cl(OH2)","Co3(HCOO)5Cl(OH2)","","- C5 H7 Cl Co3 O11 -","- C5 H7 Cl Co3 O11 -","- C15 H21 Cl3 Co9 O33 -","3","1","","Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill","A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni)","Chemistry of Materials","2017","29","18","7716","","10.1021/acs.chemmater.7b01755","","","0.71073","MoKα","","0.0298","0.0262","","","0.0542","0.0554","","","","","","1.052","","","","has coordinates","201747","2020-10-21","18:00:00",""
"4002846","11.9286","0.0005","11.9286","0.0005","7.3887","0.0004","90","","90","","120","","910.5","0.07","90","2","90","2","","","","","","","","5","P 31","P 31","144","Ni3(HCOO)5Cl(OH2)","Ni3(HCOO)5Cl(OH2)","","- C5 H7 Cl Ni3 O11 -","- C5 H7 Cl Ni3 O11 -","- C15 H21 Cl3 Ni9 O33 -","3","1","","Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill","A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni)","Chemistry of Materials","2017","29","18","7716","","10.1021/acs.chemmater.7b01755","","","0.7749","synchrotron","","0.0748","0.0572","","","0.121","0.1283","","","","","","1.064","","","","has coordinates","201747","2020-10-21","18:00:00",""
"4002847","12.2116","0.0003","12.2116","0.0003","7.5739","0.0002","90","","90","","120","","978.13","0.04","100","2","100","2","","","","","","","","5","P 31","P 31","144","Fe3(HCOO)5Cl(OH2)","Fe3(HCOO)5Cl(OH2)","","- C5 H7 Cl Fe3 O11 -","- C5 H7 Cl Fe3 O11 -","- C15 H21 Cl3 Fe9 O33 -","3","1","","Greenfield, Joshua T.; Unger, Colin D.; Chen, Michael; Izquierdo, Nezhueyotl; Woo, Katherine E.; Garlea, V. Ovidiu; Kamali, Saeed; Kovnir, Kirill","A Series of Chiral, Polar, Homospin Topological Ferrimagnets: M3(OOCH)5Cl(OH2) (M = Fe, Co, Ni)","Chemistry of Materials","2017","29","18","7716","","10.1021/acs.chemmater.7b01755","","","0.71073","MoKα","","0.0338","0.028","","","0.0508","0.052","","","","","","1.04","","","","has coordinates","201747","2020-10-21","18:00:00",""
"4002848","9.5089","0.0006","16.5114","0.001","18.4177","0.0011","96.813","0.005","99.765","0.005","93.246","0.005","2820.9","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C144 H106 N2 O4 -","- C144 H106 N2 O4 -","- C144 H106 N2 O4 -","1","0.5","","Zhang, Bolong; Soleimaninejad, Hamid; Jones, David J.; White, Jonathan M.; Ghiggino, Kenneth P.; Smith, Trevor A.; Wong, Wallace W. H.","Highly Fluorescent Molecularly Insulated Perylene Diimides: Effect of Concentration on Photophysical Properties","Chemistry of Materials","2017","29","19","8395","","10.1021/acs.chemmater.7b02968","","x-ray","1.54184","CuKα","","0.0928","0.0708","","","0.1955","0.2168","","","","","","1.04","","","","has coordinates","202664","2020-10-21","18:00:00",""
"4002849","16.945","0.003","17.24","0.003","20.307","0.004","81.27","0.03","73.96","0.03","64.79","0.03","5154","2","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C136 H100 N4 O8 -","- C136 H100 N4 O8 -","- C272 H200 N8 O16 -","2","1","","Zhang, Bolong; Soleimaninejad, Hamid; Jones, David J.; White, Jonathan M.; Ghiggino, Kenneth P.; Smith, Trevor A.; Wong, Wallace W. H.","Highly Fluorescent Molecularly Insulated Perylene Diimides: Effect of Concentration on Photophysical Properties","Chemistry of Materials","2017","29","19","8395","","10.1021/acs.chemmater.7b02968","","","0.71073","Synchrotron","","0.0754","0.0694","","","0.2194","0.2277","","","","","","1.067","","","","has coordinates,has disorder","275243","2022-05-09","01:12:31",""
"4002850","13.969","0.007","17.144","0.009","17.97","0.01","104.668","0.016","109.998","0.017","96.169","0.014","3822","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","4tic","4tic","","- C189 H176 N8 O6 S8 -","- C189 H176 N8 O6 S8 -","- C189 H176 N8 O6 S8 -","1","0.5","","Shi, Xueliang; Zuo, Lijian; Jo, Sae Byeok; Gao, Ke; Lin, Francis; Liu, Feng; Jen, Alex K.-Y.","Design of a Highly Crystalline Low-Band Gap Fused-Ring Electron Acceptor for High-Efficiency Solar Cells with Low Energy Loss","Chemistry of Materials","2017","29","19","8369","","10.1021/acs.chemmater.7b02853","","","0.71073","MoKα","","0.4023","0.1422","","","0.2626","0.3592","","","","","","1.092","","","","has coordinates,has disorder","202661","2020-10-21","18:00:00",""
"4002852","13.679","","4.153","","15.127","","90","","115.51","","90","","775.57","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cd Se8 Sn -","- Bi3.978 Cd1.022 Se8 Sn -","- Bi7.956 Cd2.044 Se16 Sn2 -","2","0.25","","Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G.","Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties","Chemistry of Materials","2017","29","19","8494","","10.1021/acs.chemmater.7b03328","","","0.71069","MoKα","","0.0433","0.0312","","","0.058","0.0609","","","","","","1.086","","","","has coordinates","202663","2020-10-21","18:00:00",""
"4002853","13.713","0.003","4.1665","0.0008","15.228","0.003","90","","115.56","0.03","90","","784.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4.04 Cd0.99 Pb0.96 Se8 -","- Bi4.04 Cd0.986 Pb0.96 Se8 -","- Bi8.08 Cd1.972 Pb1.92 Se16 -","2","0.25","","Zhao, Jing; Islam, Saiful M.; Hao, Shiqiang; Tan, Gangjian; Su, Xianli; Chen, Haijie; Lin, Wenwen; Li, Rukang; Wolverton, Chris; Kanatzidis, Mercouri G.","Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties","Chemistry of Materials","2017","29","19","8494","","10.1021/acs.chemmater.7b03328","","","0.71073","MoKα","","0.0484","0.0399","","","0.0904","0.0936","","","","","","1.066","","","","has coordinates","202663","2020-10-21","18:00:00",""
"4002854","10.5009","0.0005","11.9576","0.0005","17.2362","0.0007","80.684","0.002","76.252","0.002","88.259","0.002","2074.47","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","'tetrakis(butane-1,4-bis(dimethylsulfonium)) octadecabromopentaplumbate dimethylformamide dimethylsulfoxide solvate'","","- C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29 -","- C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29 -","- C36.71 H92.71 Br18 N0.71 O2 Pb5 S9.29 -","1","0.5","","Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.","Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids","Chemistry of Materials","2017","29","17","7083","","10.1021/acs.chemmater.7b02594","","","0.6888","synchrotron","","0.0437","0.0315","","","0.0703","0.0754","","","","","","1.038","","","","has coordinates,has disorder","201596","2020-10-21","18:00:00",""
"4002855","11.4104","0.0005","9.2728","0.0004","18.5164","0.0008","90","","97.622","0.002","90","","1941.84","0.15","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrakis(trimethylsulfonium) decabromotriplumbate","","- C12 H36 Br10 Pb3 S4 -","- C12 H36 Br10 Pb3 S4 -","- C24 H72 Br20 Pb6 S8 -","2","0.5","","Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.","Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids","Chemistry of Materials","2017","29","17","7083","","10.1021/acs.chemmater.7b02594","","","0.7749","synchrotron","","0.0483","0.034","","","0.0788","0.0877","","","","","","1.044","","","","has coordinates,has disorder","201597","2020-10-21","18:00:00",""
"4002856","22.1968","0.0011","11.207","0.0006","21.0031","0.0011","90","","90","","90","","5224.7","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","tris(butane-1,4-bis(dimethylsulfonium)) dodecabromotriplumbate","","- C24 H60 Br12 Pb3 S6 -","- C24 H60 Br12 Pb3 S6 -","- C96 H240 Br48 Pb12 S24 -","4","1","","Smith, Matthew D.; Watson, Brian L.; Dauskardt, Reinhold H.; Karunadasa, Hemamala I.","Broadband Emission with a Massive Stokes Shift from Sulfonium Pb‒Br Hybrids","Chemistry of Materials","2017","29","17","7083","","10.1021/acs.chemmater.7b02594","","","0.7749","synchrotron","","0.0323","0.0304","","","0.0744","0.0757","","","","","","1.033","","","","has coordinates","201598","2020-10-21","18:00:00",""
"4002857","13.7222","0.0003","13.7222","0.0003","17.299","0.0004","90","","90","","120","","2820.97","0.11","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Br6 Cs4 Pb -","- Br6 Cs4 Pb -","- Br36 Cs24 Pb6 -","6","0.166667","","De Bastiani, Michele; Dursun, Ibrahim; Zhang, Yuhai; Alshankiti, Buthainah A.; Miao, Xiao-He; Yin, Jun; Yengel, Emre; Alarousu, Erkki; Turedi, Bekir; Almutlaq, Jawaher M.; Saidaminov, Makhsud I.; Mitra, Somak; Gereige, Issam; AlSaggaf, Ahmed; Zhu, Yihan; Han, Yu; Roqan, Iman S.; Bredas, Jean-Luc; Mohammed, Omar F.; Bakr, Osman M.","Inside Perovskites: Quantum Luminescence from Bulk Cs4PbBr6 Single Crystals","Chemistry of Materials","2017","29","17","7108","","10.1021/acs.chemmater.7b02415","","x-ray","0.71073","MoKα","","0.0473","0.043","","","0.1309","0.1376","","","","","","1.071","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4002858","6.193","0.005","17.569","0.014","19.605","0.015","107.797","0.005","90.469","0.011","100.043","0.01","1996","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","'1,2-Bis(2-methyl-5-(4-octyloxyphenyl)-3-thienyl)perfluorocyclopentene'","","- C43 H50 F6 O2 S2 -","- C43 H50 F6 O2 S2 -","- C86 H100 F12 O4 S4 -","2","1","","Kitagawa, Daichi; Kawasaki, Kaito; Tanaka, Rika; Kobatake, Seiya","Mechanical Behavior of Molecular Crystals Induced by Combination of Photochromic Reaction and Reversible Single-Crystal-to-Single-Crystal Phase Transition","Chemistry of Materials","2017","29","17","7524","","10.1021/acs.chemmater.7b02558","","","0.71075","MoKα","","0.1192","0.0763","","","0.1859","0.2223","","","","","","1.064","","","","has coordinates,has disorder","201600","2020-10-21","18:00:00",""
"4002859","6.389","0.005","17.125","0.016","20.105","0.018","108.813","0.004","90.502","0.014","102.091","0.012","2029","3","313.15","","313","2","","","","","","","","5","P -1","-P 1","2","","1,2-Bis(2-methyl-5-(4-octyloxyphenyl)-3-thienyl)perfluorocyclopentene","","- C43 H50 F6 O2 S2 -","- C43 H50 F6 O2 S2 -","- C86 H100 F12 O4 S4 -","2","1","","Kitagawa, Daichi; Kawasaki, Kaito; Tanaka, Rika; Kobatake, Seiya","Mechanical Behavior of Molecular Crystals Induced by Combination of Photochromic Reaction and Reversible Single-Crystal-to-Single-Crystal Phase Transition","Chemistry of Materials","2017","29","17","7524","","10.1021/acs.chemmater.7b02558","","","0.71075","MoKα","","0.1636","0.0898","","","0.2038","0.2453","","","","","","1.13","","","","has coordinates,has disorder","201601","2020-10-21","18:00:00",""
"4002860","9.0437","0.0006","10.8072","0.0006","10.8381","0.0007","116.35","0.006","102.549","0.006","96.607","0.005","899.05","0.12","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C15 H15 Cu I N6 O P -","- C15 H15 Cu I N6 O P -","- C30 H30 Cu2 I2 N12 O2 P2 -","2","1","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0345","0.0315","","","0.0793","0.0819","","","","","","1.055","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002861","14.4114","0.0005","14.4114","0.0005","46.858","0.002","90","","90","","120","","8428","0.5","100","2","100","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 Li N12 O8 P2 -","- C30 H30 Cu6 I7 Li0.9999 N12 O8 P2 -","- C180 H180 Cu36 I42 Li5.9994 N72 O48 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0509","0.0442","","","0.1157","0.1226","","","","","","1.05","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002862","14.364","0.0002","14.364","0.0002","47.9353","0.0008","90","","90","","120","","8565.2","0.2","100","0.3","100","0.3","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 N12 Na O5 P2 -","- C30 H30 Cu6 I7 N12 Na O5 P2 -","- C180 H180 Cu36 I42 N72 Na6 O30 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0363","0.0341","","","0.0965","0.0984","","","","","","1.09","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002863","14.343","0.0002","14.343","0.0002","48.4451","0.0009","90","","90","","120","","8631","0.2","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 N12 O2 P2 -","- C30 H30 Cu6 I7 N12 O2 P2 -","- C180 H180 Cu36 I42 N72 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.0366","0.0355","","","0.1116","0.1128","","","","","","1.125","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002864","14.3646","0.0008","14.3646","0.0008","49.201","0.003","90","","90","","120","","8792.1","0.9","100.01","0.17","100.01","0.17","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C30 H30 Cu6 I7 K N12 O2 P2 -","- C30 H30 Cu6 I7 K N12 O2 P2 -","- C180 H180 Cu36 I42 K6 N72 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.056","0.0471","","","0.1344","0.1413","","","","","","1.104","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002865","14.2783","0.0004","14.2783","0.0004","49.8573","0.0014","90","","90","","120","","8802.6","0.4","100","0.4","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C38 H30 Cu6 I7 N13 O2 P2 -","- C37.9995 H30 Cu6 I7 N12.9999 O2 P2 -","- C227.997 H180 Cu36 I42 N77.9994 O12 P12 -","6","0.166667","","Yu, Muxin; Chen, Lian; Jiang, Feilong; Zhou, Kang; Liu, Caiping; Sun, Cai; Li, Xingjun; Yang, Yan; Hong, Maochun","Cation-Induced Strategy toward an Hourglass-Shaped Cu6I7‒ Cluster and Its Color-Tunable Luminescence","Chemistry of Materials","2017","29","19","8093","","10.1021/acs.chemmater.7b01790","","","1.54184","CuKα","","0.041","0.0358","","","0.1035","0.1055","","","","","","1.241","","","","has coordinates","202662","2020-10-21","18:00:00",""
"4002866","15.4067","0.0003","14.6428","0.0003","10.625","0.0002","90","","93.991","0.0017","90","","2391.16","0.08","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al Mo6 Na9 O24 -","- Al Mo6 Na9 O24 -","- Al4 Mo24 Na36 O96 -","4","0.5","","Savina, Aleksandra A.; Morozov, Vladimir A.; Buzlukov, Anton L.; Arapova, Irina Yu.; Stefanovich, Sergey Yu.; Baklanova, Yana V.; Denisova, Tatiana A.; Medvedeva, Nadezhda I.; Bardet, Michel; Hadermann, Joke; Lazoryak, Bogdan I.; Khaikina, Elena G.","New Solid Electrolyte Na9Al(MoO4)6: Structure and Na+ Ion Conductivity","Chemistry of Materials","2017","29","20","8901","","10.1021/acs.chemmater.7b03989","powder diffraction","x-ray","1.5418","CuKα","","0.0349","0.0348","","0.0421","0.042","","","","2.87","","","","","","","has coordinates","202665","2020-10-21","18:00:00",""
"4002867","14.87","0.008","13.8","0.008","12.445","0.006","90","","90","","90","","2554","2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Rb4Ge4Se12","","","- Ge4 Rb4 Se12 -","- Ge4 Rb4 Se12 -","- Ge16 Rb16 Se48 -","4","1","","Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun","Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs)","Chemistry of Materials","2017","29","21","9200","","10.1021/acs.chemmater.7b03046","","","0.71073","MoKα","","0.068","0.0473","","","0.0938","0.1038","","","","","","1.054","","","","has coordinates","203984","2020-10-21","18:00:00",""
"4002868","15.193","0.006","13.944","0.005","12.845","0.005","90","","90","","90","","2721.2","1.8","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Cs4Ge4Se12","","","- Cs4 Ge4 Se12 -","- Cs4 Ge4 Se12 -","- Cs16 Ge16 Se48 -","4","1","","Liu, Bin-Wen; Zhang, Min-Yi; Jiang, Xiao-Ming; Li, Shu-Fang; Zeng, Hui-Yi; Wang, Guo-Qiang; Fan, Yu-Hang; Su, Yong-Fei; Li, Chunsen; Guo, Guo-Cong; Huang, Jin-Shun","Large Second-Harmonic Generation Responses Achieved by the Dimeric [Ge2Se4(μ-Se2)]4‒ Functional Motif in Polar Polyselenides A4Ge4Se12 (A = Rb, Cs)","Chemistry of Materials","2017","29","21","9200","","10.1021/acs.chemmater.7b03046","","","0.71073","MoKα","","0.055","0.0388","","","0.0767","0.0831","","","","","","1.002","","","","has coordinates","203984","2020-10-21","18:00:00",""
"4002869","18.9153","0.0018","18.9153","0.0018","4.3783","0.0004","90","","90","","120","","1356.6","0.2","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- Ag11.86 Se7 Tl2 -","- Ag11.864 Se7 Tl2 -","- Ag35.592 Se21 Tl6 -","3","0.5","","Shi, Yixuan; Assoud, Abdeljalil; Sankar, Cheriyedath Raj; Kleinke, Holger","Tl2Ag12Se7: A New pnp Conduction Switching Material with Extraordinarily Low Thermal Conductivity","Chemistry of Materials","2017","29","21","9565","","10.1021/acs.chemmater.7b04015","","","0.71073","MoKα","","0.0859","0.0492","","","0.0938","0.1078","","","","","","1.163","","","","has coordinates","203983","2020-10-21","18:00:00",""
"4002870","18.7055","0.0003","39.8841","0.0005","27.8207","0.0005","90","","90","","90","","20755.7","0.6","293","2","293","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C36 H23 Cu3 N3 O18 -","- C36 H23 Cu3 N3 O18 -","- C288 H184 Cu24 N24 O144 -","8","0.5","","Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Phang, Hui Shi; Li, Yongxin; Zhao, Yanli","Highly Effective Carbon Fixation via Catalytic Conversion of CO2 by an Acylamide-Containing Metal‒Organic Framework","Chemistry of Materials","2017","29","21","9256","","10.1021/acs.chemmater.7b03183","","","1.54184","CuKα","","0.0544","0.0468","","","0.1405","0.1474","","","","","","0.997","","","","has coordinates,has disorder","203985","2020-10-21","18:00:00",""
"4002871","5.3664","0.0012","6.2313","0.0014","8.7401","0.0018","70.5","0.018","73.152","0.018","79.38","0.02","262.43","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[Cd(N3)2(atrz)]n","","","- C4 H4 Cd N14 -","- C4 H4 Cd N14 -","- C4 H4 Cd N14 -","1","0.5","","Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong","Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances","Chemistry of Materials","2017","29","22","9725","","10.1021/acs.chemmater.7b03453","","","0.71073","MoKα","","0.0214","0.0213","","","0.0509","0.051","","","","","","1.049","","","","has coordinates","203982","2020-10-21","18:00:00",""
"4002872","5.2315","0.0016","6.0448","0.0019","8.497","0.003","71.411","0.018","74.31","0.02","79.01","0.02","243.58","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","[Co(N3)2(atrz)]n","","","- C4 H4 Co N14 -","- C4 H4 Co N14 -","- C4 H4 Co N14 -","1","0.5","","Xu, Jian-Gang; Sun, Cai; Zhang, Ming-Jian; Liu, Bin-Wen; Li, Xiao-Zhen; Lu, Jian; Wang, Shuai-Hua; Zheng, Fa-Kun; Guo, Guo-Cong","Coordination Polymerization of Metal Azides and Powerful Nitrogen-Rich Ligand toward Primary Explosives with Excellent Energetic Performances","Chemistry of Materials","2017","29","22","9725","","10.1021/acs.chemmater.7b03453","","","0.71073","MoKα","","0.0517","0.0432","","","0.1071","0.1102","","","","","","1.027","","","","has coordinates","203982","2020-10-21","18:00:00",""
"4002873","9.9491","0.0004","10.5856","0.0004","10.6882","0.0004","90","","102.604","0.002","90","","1098.52","0.07","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C2 H12 Br4 N2 Pd -","- C2 H12 Br4 N2 Pd -","- C8 H48 Br16 N8 Pd4 -","4","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0673","0.0401","","","0.0836","0.0928","","","","","","1.027","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002874","8.4218","0.0012","8.9253","0.0013","26.11","0.004","90","","90","","90","","1962.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Sn -","- C8 H24 I4 N2 Sn -","- C32 H96 I16 N8 Sn4 -","4","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0722","0.0652","","","0.1372","0.1393","","","","","","1.392","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002875","11.7344","0.0015","8.5264","0.0011","7.5155","0.0009","90","","102.089","0.004","90","","735.27","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Br4 N2 Pd -","- C6 H20 Br4 N2 Pd -","- C12 H40 Br8 N4 Pd2 -","2","0.5","","Wong, Man Kwong; Liu, Fangzhou; Kam, Chun Sing; Leung, Tik Lun; Tam, Ho Won; Djurišić, Aleksandra B.; Popović, Jasminka; Li, Hangkong; Shih, Kaimin; Low, Kam-Hung; Chan, Wai Kin; Chen, Wei; He, Zhubing; Ng, Annie; Surya, Charles","Synthesis of Lead-Free Perovskite Films by Combinatorial Evaporation: Fast Processes for Screening Different Precursor Combinations","Chemistry of Materials","2017","29","23","9946","","10.1021/acs.chemmater.7b03293","","","0.71073","MoKα","","0.0582","0.0407","","","0.0873","0.0921","","","","","","1.107","","","","has coordinates","204785","2020-10-21","18:00:00",""
"4002876","5.5848","0.0008","5.5848","0.0008","8.94","0.0018","90","","90","","90","","278.84","0.08","100","2","100","2","","","","","","","","2","P -4 c 2","P -4 -2c","116","","","","- Fe2 Ge3 -","- Fe2 Ge3 -","- Fe8 Ge12 -","4","0.5","","Verchenko, Valeriy Yu.; Wei, Zheng; Tsirlin, Alexander A.; Callaert, Carolien; Jesche, Anton; Hadermann, Joke; Dikarev, Evgeny V.; Shevelkov, Andrei V.","Crystal Growth of the Nowotny Chimney Ladder Phase Fe2Ge3: Exploring New Fe-Based Narrow-Gap Semiconductor with Promising Thermoelectric Performance","Chemistry of Materials","2017","29","23","9954","","10.1021/acs.chemmater.7b03300","","","0.71073","MoKα","","0.0284","0.0276","","","0.0691","0.0695","","","","","","1.357","","","","has coordinates","204784","2020-10-21","18:00:00",""
"4002877","14.29","0.002","14.29","0.002","31.3","0.006","90","","90","","120","","5535.3","1.5","100","2","100","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C54 H18 Al12 O73.5 -","- C54 H18 Al12 O73.5 -","- C108 H36 Al24 O147 -","2","0.0833333","","Benzaqui, Marvin; Pillai, Renjith S.; Sabetghadam, Anahid; Benoit, Virginie; Normand, Perine; Marrot, Jérôme; Menguy, Nicolas; Montero, David; Shepard, William; Tissot, Antoine; Martineau-Corcos, Charlotte; Sicard, Clémence; Mihaylov, Mihail; Carn, Florent; Beurroies, Isabelle; Llewellyn, Philip L.; De Weireld, Guy; Hadjiivanov, Konstantin; Gascon, Jorge; Kapteijn, Freek; Maurin, Guillaume; Steunou, Nathalie; Serre, Christian","Revisiting the Aluminum Trimesate-Based MOF (MIL-96): From Structure Determination to the Processing of Mixed Matrix Membranes for CO2 Capture","Chemistry of Materials","2017","29","24","10326","","10.1021/acs.chemmater.7b03203","","","0.8266","synchrotron","","0.1279","0.1044","","","0.2564","0.2917","","","","","","1.072","","","","has coordinates","204782","2020-10-21","18:00:00",""
"4002878","5.0813","0.0001","15.1585","0.0003","29.3246","0.0007","83.882","0.001","85.728","0.001","82.705","0.002","2223.42","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H52 Cu3 O18 P6 -","- C56 H52 Cu3 O18 P6 -","- C56 H52 Cu3 O18 P6 -","1","0.5","","Gelfand, Benjamin S.; Huynh, Racheal P. S.; Collins, Sean P.; Woo, Tom K.; Shimizu, George K. H.","Computational and Experimental Assessment of CO2 Uptake in Phosphonate Monoester Metal‒Organic Frameworks","Chemistry of Materials","2017","29","24","10469","","10.1021/acs.chemmater.7b04108","","","0.71073","MoKα","","0.1283","0.0699","","","0.1307","0.1415","","","","","","0.966","","","","has coordinates","204783","2020-10-21","18:00:00",""
"4002879","5.039","0.001","27.642","0.006","23.662","0.005","90","","94.95","0.03","90","","3283.5","1.2","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Cu3 O18 P6 -","- C60 H60 Cu3 O18 P6 -","- C120 H120 Cu6 O36 P12 -","2","0.5","","Gelfand, Benjamin S.; Huynh, Racheal P. S.; Collins, Sean P.; Woo, Tom K.; Shimizu, George K. H.","Computational and Experimental Assessment of CO2 Uptake in Phosphonate Monoester Metal‒Organic Frameworks","Chemistry of Materials","2017","29","24","10469","","10.1021/acs.chemmater.7b04108","","","0.71073","MoKα","","0.1131","0.0788","","","0.1468","0.1624","","","","","","1.094","","","","has coordinates,has disorder","204783","2020-10-21","18:00:00",""
"4002880","9.5073","0.0005","35.1644","0.0018","21.6818","0.0011","90","","92.515","0.004","90","","7241.6","0.6","150","2","149.99","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C76 H70 B2 F8 N6 O P2 Pd S2 -","- C76 H70 B2 F8 N6 O P2 Pd S2 -","- C304 H280 B8 F32 N24 O4 P8 Pd4 S8 -","4","1","","d’Aquino, Andrea I.; Kean, Zachary S.; Mirkin, Chad A.","Infinite Coordination Polymer Particles Composed of Stimuli-Responsive Coordination Complex Subunits","Chemistry of Materials","2017","29","24","10284","","10.1021/acs.chemmater.7b03638","","","1.54178","CuKα","","0.0803","0.0605","","","0.1515","0.1607","","","","","","1.05","","","","has coordinates,has disorder","204781","2020-10-21","18:00:00",""
"4002881","19.181","0.0018","18.443","0.0017","22.97","0.002","90","","94.759","0.002","90","","8097.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Gd@C82(C4H8NO)7","","","- C110 H56 Gd N7 O7 -","- C110 H56 Gd N7 O7 -","- C440 H224 Gd4 N28 O28 -","4","1","","Huang, Huan; Zhang, Lele; Gao, Xuejiao J.; Guo, Xihong; Cui, Rongli; Xu, Binggang; Dong, Jinquan; Li, Yanbang; Gan, Liangbing; Chang, Fei; Gao, Xingfa; Sun, Baoyun","Regioselective Polyamination of Gd@C2v(9)-C82 and Non-High Performance Liquid Chromatography Rapid Separation of Gd@C82(morpholine)7","Chemistry of Materials","2017","30","1","64","","10.1021/acs.chemmater.7b03787","","","0.71073","MoKα","","0.0899","0.0762","","","0.2293","0.2395","","","","","","1.063","","","","has coordinates,has disorder","206139","2020-10-21","18:00:00",""
"4002882","8.28","0.0001","13.9085","0.0002","15.2215","0.0002","78.687","0.001","83.336","0.001","88.497","0.001","1707.26","0.04","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H39 F2 N4 O9 P3 Zr -","- C29 H39 F2 N4 O9 P3 Zr -","- C58 H78 F4 N8 O18 P6 Zr2 -","2","1","","Hassanzadeh Fard, Zohreh; Wong, Norman E.; Malliakas, Christos D.; Ramaswamy, Padmini; Taylor, Jared M.; Otsubo, Kazuya; Shimizu, George K. H.","Superprotonic Phase Change to a Robust Phosphonate Metal‒Organic Framework","Chemistry of Materials","2018","30","2","314","","10.1021/acs.chemmater.7b04467","","","1.54178","CuKα","","0.0316","0.0259","","","0.0641","0.0668","","","","","","1.035","","","","has coordinates","206140","2020-10-21","18:00:00",""
"4002883","20.916","0.004","4.8573","0.0007","19.218","0.004","90","","116.1","0.02","90","","1753.4","0.6","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 O6 -","- C42 H54 O6 -","- C84 H108 O12 -","2","0.5","","Samanta, Ranita; Ghosh, Subhrokoli; Devarapalli, Ramesh; Reddy, C. Malla","Visible Light Mediated Photopolymerization in Single Crystals: Photomechanical Bending and Thermomechanical Unbending","Chemistry of Materials","2018","30","3","577","","10.1021/acs.chemmater.7b04756","","x-ray","0.71073","MoKα","","0.1352","0.0813","","","0.1626","0.1921","","","","","","1.041","","","","has coordinates","227518","2020-10-21","18:00:00",""
"4002884","9.99085","0.0003","4.09781","0.00011","9.00711","0.00027","90","","90","","90","","368.757","0.019","300","","300","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs2 Cu10 Se6 -","2","0.25","","Xia, Zhiguo; Fang, Huajing; Zhang, Xiuwen; Molokeev, Maxim S.; Gautier, Romain; Yan, Qingfeng; Wei, Su-Huai; Poeppelmeier, Kenneth R.","CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application","Chemistry of Materials","2018","30","3","1121","","10.1021/acs.chemmater.7b05104","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.57","1.474","","","","","","","has coordinates","227517","2020-10-21","18:00:00",""
"4002885","9.63647","0.00033","3.95467","0.00015","8.94895","0.00024","90","","90","","90","","341.04","0.02","300","","300","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Cs Cu5 S3 -","- Cs Cu5 S3 -","- Cs2 Cu10 S6 -","2","0.25","","Xia, Zhiguo; Fang, Huajing; Zhang, Xiuwen; Molokeev, Maxim S.; Gautier, Romain; Yan, Qingfeng; Wei, Su-Huai; Poeppelmeier, Kenneth R.","CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application","Chemistry of Materials","2018","30","3","1121","","10.1021/acs.chemmater.7b05104","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.36","2.642","","","","","","","has coordinates","227517","2020-10-21","18:00:00",""
"4002886","12.9065","0.0006","12.9065","0.0006","5.6194","0.0005","90","","90","","90","","936.07","0.1","294","2","294","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- Ce4 Mo2 O11 -","- Ce4 Mo2 O11 -","- Ce16 Mo8 O44 -","4","0.5","","Abeysinghe, Dileka; Huq, Ashfia; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","In Situ Neutron Diffraction Studies of the Flux Crystal Growth of the Reduced Molybdates La4Mo2O11 and Ce4Mo2O11: Revealing Unexpected Mixed-Valent Transient Intermediates and Determining the Sequence of Events during Crystal Growth","Chemistry of Materials","2018","","","","","10.1021/acs.chemmater.8b00072","","","0.71073","MoKα","","0.0445","0.0365","","","0.0875","0.0924","","","","","","1.106","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4002887","11.2272","0.0003","11.2272","0.0003","11.2272","0.0003","90","","90","","90","","1415.19","0.07","303","2","303","2","","","","","","","","3","P n -3 n","-P 4a 2bc 3","222","","","","- La5 Mo3 O16 -","- La5 Mo3 O16 -","- La20 Mo12 O64 -","4","","","Abeysinghe, Dileka; Huq, Ashfia; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","In Situ Neutron Diffraction Studies of the Flux Crystal Growth of the Reduced Molybdates La4Mo2O11 and Ce4Mo2O11: Revealing Unexpected Mixed-Valent Transient Intermediates and Determining the Sequence of Events during Crystal Growth","Chemistry of Materials","2018","","","","","10.1021/acs.chemmater.8b00072","","","0.71073","MoKα","","0.0451","0.0264","","","0.0681","0.0755","","","","","","1.161","","","","has coordinates","205649","2020-10-21","18:00:00",""
"4002888","10.8675","0.0008","5.1633","0.0004","7.3072","0.0005","90","","90","","90","","410.02","0.05","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cr O6 W Y -","- Cr O6 W Y -","- Cr4 O24 W4 Y4 -","4","1","","Kim, Sun Woo; Emge, Thomas J.; Deng, Zheng; Uppuluri, Ritesh; Collins, Liam; Lapidus, Saul H.; Segre, Carlo U.; Croft, Mark; Jin, Changqing; Gopalan, Venkatraman; Kalinin, Sergei V.; Greenblatt, Martha","YCrWO6: Polar and Magnetic Oxide with CaTa2O6-Related Structure","Chemistry of Materials","2018","30","3","1045","","10.1021/acs.chemmater.7b04941","","","0.71073","MoKα","","0.0211","0.02","","","0.0417","0.042","","","","","","1.114","","","","has coordinates","227516","2020-10-21","18:00:00",""
"4002889","6.6051","0.001","6.6051","0.001","8.087","0.003","90","","90","","120","","305.55","0.13","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- Cs I O3 -","- Cs I O3 -","- Cs3 I3 O9 -","3","0.166667","","Zhang, Min; Hu, Cong; Abudouwufu, Tushagu; Yang, Zhihua; Pan, Shilie","Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System","Chemistry of Materials","2018","30","3","1136","","10.1021/acs.chemmater.7b05252","","","0.71073","MoKα","","0.0287","0.0287","","","0.0657","0.0657","","","","","","1.266","","","","has coordinates","227515","2020-10-21","18:00:00",""
"4002890","4.476","0.004","7.968","0.008","13.79","0.013","90","","90.11","0.011","90","","491.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs F4 H5 I2 O6 -","- Cs F4 H5 I2 O6 -","- Cs2 F8 H10 I4 O12 -","2","0.5","","Zhang, Min; Hu, Cong; Abudouwufu, Tushagu; Yang, Zhihua; Pan, Shilie","Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System","Chemistry of Materials","2018","30","3","1136","","10.1021/acs.chemmater.7b05252","","","0.71073","MoKα","","0.0744","0.0566","","","0.1108","0.1154","","","","","","1.11","","","","has coordinates","227515","2020-10-21","18:00:00",""
"4002893","11.9375","0.0002","14.091","0.0003","14.196","0.0003","62.077","0.002","88.228","0.002","79.945","0.002","2073.96","0.08","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0382","0.0359","","","0.0958","0.0973","","","","","","1.043","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002894","11.9522","0.0002","14.1064","0.0002","14.2144","0.0002","62.16","0.002","88.347","0.001","79.902","0.001","2082.49","0.07","130.01","0.1","130.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0409","0.0384","","","0.1018","0.1036","","","","","","1.037","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002895","11.9625","0.0002","14.1206","0.0002","14.2271","0.0002","62.268","0.001","88.459","0.001","79.871","0.001","2089.84","0.06","160","0.1","160","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0379","0.0356","","","0.0955","0.0969","","","","","","1.041","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002896","11.9818","0.0001","14.14","0.0002","14.2552","0.0002","62.38","0.001","88.564","0.001","79.854","0.001","2102.02","0.05","190","0.1","190","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0578","0.048","","","0.1278","0.132","","","","","","1.058","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002897","11.9939","0.0002","14.1432","0.0003","14.2691","0.0002","62.489","0.002","88.677","0.002","79.805","0.002","2108.12","0.08","220","0.1","220","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0415","0.0381","","","0.1033","0.1055","","","","","","1.016","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002898","12.0828","0.0002","14.361","0.0002","18.2826","0.0003","68.06","0.002","74.773","0.001","89.569","0.001","2824.76","0.09","99.99","0.1","99.99","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0819","0.0789","","","0.2118","0.2141","","","","","","1.045","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002899","12.1019","0.0002","14.3774","0.0003","18.2971","0.0003","68.1821","0.0017","74.7855","0.0016","89.6768","0.0015","2836.91","0.1","129.99","0.1","129.99","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0825","0.079","","","0.2135","0.2165","","","","","","1.049","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002900","12.1262","0.0002","14.4073","0.0002","18.3201","0.0002","68.228","0.001","74.923","0.001","89.875","0.001","2854.09","0.07","160","0.1","160","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0778","0.0734","","","0.1996","0.2031","","","","","","1.042","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002901","12.1668","0.0002","14.4398","0.0002","18.3395","0.0003","68.284","0.001","74.967","0.001","89.92","0.001","2874.78","0.08","190","0.1","190","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0799","0.0751","","","0.2081","0.2122","","","","","","1.043","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002902","12.2045","0.0002","14.4774","0.0003","18.3489","0.0003","68.329","0.002","75.094","0.002","89.57","0.001","2897.67","0.1","220","0.1","220","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0783","0.0735","","","0.2023","0.2068","","","","","","1.023","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002903","6.242","0.004","22.545","0.013","9.236","0.005","90","","94.648","0.013","90","","1295.5","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br4 N2 Pb -","- C4 H12 Br4 N2 Pb -","- C16 H48 Br16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0598","0.0402","","","0.0885","0.0898","","","","2.22","2.22","1.91","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002904","6.2763","0.0003","20.46","0.0009","9.6935","0.0004","90","","90.563","0.002","90","","1244.71","0.1","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br4 N2 Pb -","- C4 H12 Br4 N2 Pb -","- C16 H48 Br16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0314","0.0288","","","0.082","0.0826","","","","2.2","2.2","2.15","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002905","10.057","0.002","21.376","0.003","6.58","0.007","90","","90","","90","","1414.6","1.5","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H12 I4 N2 Pb -","- C4 H12 I4 N2 Pb -","- C16 H48 I16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0377","0.0304","","","0.0402","0.041","","","","1.44","1.44","1.36","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002906","5.886","0.0002","21.7573","0.0007","8.9772","0.0003","90","","94.922","0.002","90","","1145.41","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl4 N2 Pb -","- C4 H12 Cl4 N2 Pb -","- C16 H48 Cl16 N8 Pb4 -","4","1","","Li, Xiaotong; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.","Small Cyclic Diammonium Cation Templated (110)-Oriented 2D Halide (X = I, Br, Cl) Perovskites with White-Light Emission","Chemistry of Materials","2019","31","9","3582","","10.1021/acs.chemmater.9b01511","","x-ray","0.71073","MoKα","","0.0421","0.0397","","","0.1018","0.1023","","","","2.53","2.53","2.47","","","","has coordinates","223183","2020-10-21","18:00:00",""
"4002907","8.8027","0.0004","8.8027","0.0004","12.7893","0.0006","90","","90","","120","","858.24","0.07","293","","293","","","","","","","","","5","P 64","P 64","172","catena-(tetrakis(m2-2-trifluoromethylimidazolato)-di-zinc)","","","- C8 H4 F6 N4 Zn -","- C8 H4 F6 N4 Zn -","- C24 H12 F18 N12 Zn3 -","3","0.5","","Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra","Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework","Chemistry of Materials","2019","31","10","3777","","10.1021/acs.chemmater.9b00994","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.018","10.224","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4002908","17.5317","0.0008","17.5317","0.0008","17.5317","0.0008","90","","90","","90","","5388.6","0.4","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","catena-(tetrakis(m2-2-trifluoromethylimidazolato)-di-zinc)","","","- C8 H4 F6 N4 Zn -","- C8 H4 F6 N4 Zn -","- C96 H48 F72 N48 Zn12 -","12","0.25","","Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra","Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework","Chemistry of Materials","2019","31","10","3777","","10.1021/acs.chemmater.9b00994","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.021","10.727","","","","","","","has coordinates,has disorder","288246","2023-12-12","10:54:34",""
"4002909","7.5862","0.0016","9.8792","0.0018","7.6926","0.0018","90","","108.97","0.018","90","","545.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 F3 N2 -","- C4 H3 F3 N2 -","- C16 H12 F12 N8 -","4","1","","Arhangelskis, Mihails; Katsenis, Athanassios D.; Novendra, Novendra; Akimbekov, Zamirbek; Gandrath, Dayaker; Marrett, Joseph M.; Ayoub, Ghada; Morris, Andrew J.; Farha, Omar K.; Friščić, Tomislav; Navrotsky, Alexandra","Theoretical Prediction and Experimental Evaluation of Topological Landscape and Thermodynamic Stability of a Fluorinated Zeolitic Imidazolate Framework","Chemistry of Materials","2019","31","10","3777","","10.1021/acs.chemmater.9b00994","","","1.54178","CuKα","","0.1909","0.0825","","","0.1868","0.2401","","","","","","1.031","","","","has coordinates,has disorder","223181","2020-10-21","18:00:00",""
"4002910","13.279","","4.066","","14.988","","90","","115.43","","90","","730.832","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi3.48 In0.51 Mn2.03 Se8 -","- Bi3.48 In0.52 Mn2.03 Se8 -","- Bi6.96 In1.04 Mn4.06 Se16 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0783","0.0727","","","0.1804","0.1908","","","","","","0.827","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002911","13.684","","4.16","","17.082","","90","","94.05","","90","","969.972","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag1.61 Bi5.46 Cd0.94 Se10 -","- Ag1.52 Bi5.454 Cd1.026 Se10 -","- Ag3.04 Bi10.908 Cd2.052 Se20 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0651","0.059","","","0.1638","0.1711","","","","","","1.08","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002912","13.547","","4.087","","20.706","","90","","102.36","","90","","1119.85","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag2.36 Cd0.96 Sb6.53 Se12 -","- Ag2.354 Cd0.96 Sb6.526 Se12 -","- Ag4.708 Cd1.92 Sb13.052 Se24 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0643","0.0477","","","0.1248","0.1324","","","","","","1.035","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002913","13.014","","3.991","","12.003","","90","","104.23","","90","","604.294","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi3 In Pb S7 -","- Bi3 In Pb S7 -","- Bi6 In2 Pb2 S14 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0345","0.0342","","","0.0983","0.0986","","","","","","1.095","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002914","13.633","","4.146","","19.335","","90","","104.64","","90","","1057.38","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ag2 Bi6 Cd Se11 -","- Ag2 Bi6 Cd Se11 -","- Ag4 Bi12 Cd2 Se22 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.1345","0.0595","","","0.1331","0.1572","","","","","","0.741","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002915","13.156","","4.011","","15.151","","90","","99.87","","90","","787.666","","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi4 Cd Pb2 S9 -","- Bi4 Cd Pb2 S9 -","- Bi8 Cd2 Pb4 S18 -","2","0.25","","Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.","Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity","Chemistry of Materials","2019","31","9","3430","","10.1021/acs.chemmater.9b00585","","","0.71069","MoKα","","0.0656","0.0544","","","0.1287","0.1345","","","","","","1.052","","","","has coordinates","223184","2020-10-21","18:00:00",""
"4002916","6.83148","0.00011","6.83148","0.00011","5.6572","0.0002","90","","90","","90","","264.017","0.011","295","","295","","","","8700000","","","","","2","I 4/m c m","-I 4 2c","140","","","MnBi2","- Bi2 Mn -","- Bi2 Mn -","- Bi8 Mn4 -","4","0.125","","Walsh, James P. S.; Clarke, Samantha M.; Puggioni, Danilo; Tamerius, Alexandra D.; Meng, Yue; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E.","MnBi2: A Metastable High-Pressure Phase in the Mn‒Bi System","Chemistry of Materials","2019","31","9","3083","","10.1021/acs.chemmater.9b00385","powder diffraction","","0.4066","","","3.513","","","","","","","","0.8","","","","","","","has coordinates","223185","2020-10-21","18:00:00",""
"4002917","16.5896","0.0004","6.1155","0.0001","18.1992","0.0004","90","","90","","90","","1846.38","0.07","299.78","0.1","299.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,3-dibromo-5.6-dicyanobenzoquinone","","- C8 Br2 N2 O2 -","- C8 Br2 N2 O2 -","- C64 Br16 N16 O16 -","8","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0302","0.0262","","","0.0655","0.0684","","","","","","1.0456","","","","has coordinates","223182","2020-10-21","18:00:00",""
"4002918","6.57483","0.00012","18.364","0.0003","16.5153","0.0002","90","","90","","90","","1994.06","0.05","298.62","0.1","298.62","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","2,3,-dichloro-5,6-dicyanobenzoquinone 4,6-dimethyldibenzothiophene","","- C22 H12 Cl2 N2 O2 S -","- C22 H12 Cl2 N2 O2 S -","- C88 H48 Cl8 N8 O8 S4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0244","0.0238","","","0.0619","0.0622","","","","","","1.076","","","","has coordinates,has disorder","223182","2020-10-21","18:00:00",""
"4002919","7.1881","0.0003","20.1241","0.001","12.6012","0.0006","90","","98.493","0.004","90","","1802.83","0.15","300.3","0.4","300.3","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Br2 N3 O2 -","- C16 H20 Br2 N3 O2 -","- C64 H80 Br8 N12 O8 -","4","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0597","0.0434","","","0.1062","0.1119","","","","","","1.067","","","","has coordinates","223182","2020-10-21","18:00:00",""
"4002920","11.936","0.003","6.0077","0.0013","9.478","0.002","90","","98.128","0.009","90","","672.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 Br O2 Pb -","- C4 H5 Br O2 Pb -","- C16 H20 Br4 O8 Pb4 -","4","1","","Yin, Jinlin; Yang, Huimin; Fei, Honghan","Robust, Cationic Lead Halide Layered Materials with Efficient Broadband White-Light Emission","Chemistry of Materials","2019","31","11","3909","","10.1021/acs.chemmater.8b05345","","","0.71073","MoKα","","0.078","0.0497","","","0.1251","0.1431","","","","","","1.051","","","","has coordinates","223186","2020-10-21","18:00:00",""
"4002921","9.843","0.003","9.024","0.003","6.66","0.002","90","","97.098","0.01","90","","587","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2.667 H3.333 Cl0.667 O1.333 Pb0.667 -","- C2.66667 H3.33333 Cl0.666667 O1.33333 Pb0.666667 -","- C16 H20 Cl4 O8 Pb4 -","6","1.5","","Yin, Jinlin; Yang, Huimin; Fei, Honghan","Robust, Cationic Lead Halide Layered Materials with Efficient Broadband White-Light Emission","Chemistry of Materials","2019","31","11","3909","","10.1021/acs.chemmater.8b05345","","","0.71073","MoKα","","0.0647","0.047","","","","0.1033","","","","","","1.1043","","","","has coordinates","223186","2020-10-21","18:00:00",""
"4002922","7.3957","0.0003","7.3957","0.0003","7.5452","0.0003","90","","90","","120","","357.4","0.02","296","","296","","","","","","","","","3","P 63/m","-P 6c","176","","","","- F2.667 Fe O0.55 -","- F2.66666 Fe O0.54874 -","- F16 Fe6 O3.29244 -","6","0.5","","Lemoine, Kévin; Zhang, Leiting; Dambournet, Damien; Grenèche, Jean-Marc; Hémon-Ribaud, Annie; Leblanc, Marc; Borkiewicz, Olaf J.; Tarascon, Jean-Marie; Maisonneuve, Vincent; Lhoste, Jérôme","Synthesis by Thermal Decomposition of Two Iron Hydroxyfluorides: Structural Effects of Li Insertion","Chemistry of Materials","2019","31","11","4246","","10.1021/acs.chemmater.9b01252","powder diffraction","","1.78901","CoKα","","","","","","","","","6.8247","1.8818","","","","","","","has coordinates","223187","2020-10-21","18:00:00",""
"4002923","10.3562","0.0004","10.3562","0.0004","10.3562","0.0004","90","","90","","90","","1110.71","0.07","296","","296","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- F2.5 Fe O -","- F2.50005 Fe O1.00007 -","- F40.0008 Fe16 O16.0011 -","16","0.0833333","","Lemoine, Kévin; Zhang, Leiting; Dambournet, Damien; Grenèche, Jean-Marc; Hémon-Ribaud, Annie; Leblanc, Marc; Borkiewicz, Olaf J.; Tarascon, Jean-Marie; Maisonneuve, Vincent; Lhoste, Jérôme","Synthesis by Thermal Decomposition of Two Iron Hydroxyfluorides: Structural Effects of Li Insertion","Chemistry of Materials","2019","31","11","4246","","10.1021/acs.chemmater.9b01252","powder diffraction","","1.78901","CoKα","","","","","","","","","6.3912","3.6021","","","","","","","has coordinates","223187","2020-10-21","18:00:00",""
"4002924","7.5473","0.0005","10.0996","0.0006","13.5908","0.0009","83.75","0.001","82.174","0.001","88.52","0.001","1020.14","0.11","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 S2 Si2 -","- C20 H24 S2 Si2 -","- C40 H48 S4 Si4 -","2","1","","Chung, Hyunjoong; Chen, Shanwen; Sengar, Nikita; Davies, Daniel W.; Garbay, Guillaume; Geerts, Yves H.; Clancy, Paulette; Diao, Ying","Single Atom Substitution Alters the Polymorphic Transition Mechanism in Organic Electronic Crystals","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03436","","","0.41328","","","0.0415","0.0346","","","0.0972","0.1017","","","","","","1.09","","","","has coordinates","219547","2020-10-21","18:00:00",""
"4002925","14.1772","0.0006","6.1547","0.0003","10.6485","0.0005","90","","92.2098","0.0016","90","","928.46","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 S2 -","- C22 H24 S2 -","- C44 H48 S4 -","2","0.5","","Chung, Hyunjoong; Chen, Shanwen; Sengar, Nikita; Davies, Daniel W.; Garbay, Guillaume; Geerts, Yves H.; Clancy, Paulette; Diao, Ying","Single Atom Substitution Alters the Polymorphic Transition Mechanism in Organic Electronic Crystals","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03436","","","0.71073","MoKα","","0.0376","0.0339","","","0.0899","0.0931","","","","","","1.103","","","","has coordinates,has disorder","219548","2020-10-21","18:00:00",""
"4002926","14.6338","0.0012","6.3264","0.0006","10.4185","0.0009","90","","93.755","0.003","90","","962.47","0.15","370","2","370","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 S2 -","- C22 H24 S2 -","- C44 H48 S4 -","2","0.5","","Chung, Hyunjoong; Chen, Shanwen; Sengar, Nikita; Davies, Daniel W.; Garbay, Guillaume; Geerts, Yves H.; Clancy, Paulette; Diao, Ying","Single Atom Substitution Alters the Polymorphic Transition Mechanism in Organic Electronic Crystals","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03436","","","0.71073","MoKα","","0.0595","0.0448","","","0.1198","0.1316","","","","","","1.072","","","","has coordinates,has disorder","219549","2020-10-21","18:00:00",""
"4002927","14.3093","0.0013","6.3457","0.0006","11.3566","0.0011","90","","92.348","0.004","90","","1030.34","0.17","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 S2 Si2 -","- C20 H24 S2 Si2 -","- C40 H48 S4 Si4 -","2","0.5","","Chung, Hyunjoong; Chen, Shanwen; Sengar, Nikita; Davies, Daniel W.; Garbay, Guillaume; Geerts, Yves H.; Clancy, Paulette; Diao, Ying","Single Atom Substitution Alters the Polymorphic Transition Mechanism in Organic Electronic Crystals","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03436","","","0.71073","MoKα","","0.0355","0.0319","","","0.0861","0.0897","","","","","","1.048","","","","has coordinates","219550","2020-10-21","18:00:00",""
"4002928","14.1466","0.0007","16.3002","0.001","3.7489","0.0002","90","","90","","90","","864.47","0.08","100","2","100.15","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- As6 Ge6 K4 -","- As6 Ge6 K4 -","- As12 Ge12 K8 -","2","0.25","","Eulenstein, Armin R.; Bogdanovski, Dimitri; Reinhardt, Hendrik; Miß, Vanessa; Roling, Bernhard; Hampp, Norbert; Dronskowski, Richard; Dehnen, Stefanie","K2Ge3As3: Fiberlike Crystals of a Narrow-Band-Gap Zintl Phase with a One-Dimensional Substructure ∞1{(Ge3As3)2‒}","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02827","","","0.71073","MoKα","","0.0695","0.0526","","","0.1413","0.1521","","","","","","1.047","","","","has coordinates","219551","2020-10-21","18:00:00",""
"4002929","4.43579","0.00004","4.43579","0.00004","23.41553","0.00009","90","","90","","120","","399.003","0.005","295","","295","","","","100","","","","","3","P 63/m m c","-P 6c 2c","194","sodium zinc antimonide","","","- Na Sb3 Zn4 -","- Na Sb3 Zn4 -","- Na2 Sb6 Zn8 -","2","0.0833333","","Gvozdetskyi, Volodymyr; Owens-Baird, Bryan; Hong, Sangki; Cox, Tori; Bhaskar, Gourab; Harmer, Colin; Sun, Yang; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Zaikina, Julia V.","From NaZn4Sb3 to HT-Na1‒xZn4‒ySb3: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02239","powder diffraction","x-ray","0.4128","","","","","","","0.12698","","0.15752","","3.196","","","","","","","has coordinates","219552","2020-10-21","18:00:00",""
"4002930","19.508","0.003","14.708","0.003","20.736","0.004","90","","90.402","0.005","90","","5949.5","1.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","sodium zinc zntimonide","sodium zinc zntimonide","","- Na1.27 Sb4 Zn5.15 -","- Na1.27083 Sb4 Zn5.15367 -","- Na30.5 Sb96 Zn123.688 -","24","6","","Gvozdetskyi, Volodymyr; Owens-Baird, Bryan; Hong, Sangki; Cox, Tori; Bhaskar, Gourab; Harmer, Colin; Sun, Yang; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Zaikina, Julia V.","From NaZn4Sb3 to HT-Na1‒xZn4‒ySb3: Panoramic Hydride Synthesis, Structural Diversity, and Thermoelectric Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02239","","","0.71073","MoKα","","0.0499","0.0392","","","0.0864","0.0912","","","","","","1.133","","","","has coordinates","219553","2020-10-21","18:00:00",""
"4002931","30.358","0.004","30.358","","35.177","0.004","90","","90","","120","","28076","5","100","2","100","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 In2 O10.67 -","- C53 H28 In2 O10.6667 -","- C318 H168 In12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0416","0.0346","","","0.084","0.0851","","","","","","0.938","","","","has coordinates","220314","2020-10-21","18:00:00",""
"4002932","30.346","0.004","30.346","","35.303","0.004","90","","90","","120","","28154","5","150","2","150","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 In2 O10.67 -","- C53 H28 In2 O10.6667 -","- C318 H168 In12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0396","0.033","","","0.0785","0.0795","","","","","","0.937","","","","has coordinates","220314","2020-10-21","18:00:00",""
"4002933","32.2456","0.0013","32.246","","33.3066","0.0013","90","","90","","120","","29992.1","1.7","200","2","200","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 In2 O10.67 -","- C53 H28 In2 O10.6667 -","- C318 H168 In12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0352","0.0276","","","0.0597","0.0602","","","","","","0.987","","","","has coordinates","220314","2020-10-21","18:00:00",""
"4002934","32.1375","0.001","32.137","","33.4133","0.0012","90","","90","","120","","29886","1.4","250","2","250","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 In2 O10.67 -","- C53 H28 In2 O10.6667 -","- C318 H168 In12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0312","0.0252","","","0.0413","0.0415","","","","","","1.039","","","","has coordinates","220314","2020-10-21","18:00:00",""
"4002935","32.0701","0.0011","32.07","","33.4201","0.0012","90","","90","","120","","29767.2","1.5","298","2","298","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 In2 O10.67 -","- C53 H28 In2 O10.6667 -","- C318 H168 In12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0321","0.0272","","","0.0542","0.0547","","","","","","1.075","","","","has coordinates","220314","2020-10-21","18:00:00",""
"4002936","28.8591","0.0009","28.859","","35.5304","0.0013","90","","90","","120","","25626.8","1.2","100","2","100","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0641","0.0547","","","0.147","0.1506","","","","","","0.984","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002937","28.8433","0.0009","28.843","","35.7152","0.0015","90","","90","","120","","25731.7","1.3","150","2","150","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0812","0.0612","","","0.1594","0.1676","","","","","","0.915","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002938","31.473","0.0007","31.473","","33.1372","0.001","90","","90","","120","","28426.5","1.1","200","2","200","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0609","0.0521","","","0.1432","0.1463","","","","","","1.031","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002939","31.3244","0.001","31.324","","33.2713","0.0013","90","","90","","120","","28272.3","1.4","250","2","250","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0461","0.0431","","","0.1242","0.1272","","","","","","0.524","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002940","31.2164","0.0008","31.216","","33.3866","0.0011","90","","90","","120","","28174.9","1.2","298","2","298","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0438","0.0401","","","0.1133","0.1169","","","","","","0.47","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002941","29.2327","0.0015","29.233","","35.385","0.002","90","","90","","120","","26187","2","150","2","150","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C53 H32.67 Fe2 O10.67 -","- C53 H28 Fe2 O10.6667 -","- C318 H168 Fe12 O64 -","6","0.25","","Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai","Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02582","","","1.54184","CuKα","","0.0672","0.0535","","","0.126","0.1288","","","","","","0.931","","","","has coordinates","220315","2020-10-21","18:00:00",""
"4002942","17.9067","0.0014","17.605","0.0014","5.7065","0.0005","90","","90.212","0.002","90","","1798.9","0.3","175","5","175","5","","","","","","","","2","C 1 2/m 1","-C 2y","12","molybdenum pentachloride","","","- Cl5 Mo -","- Cl5 Mo -","- Cl60 Mo12 -","12","1.5","","McGuire, Michael A.; Pandey, Tribhuwan; Mu, Sai; Parker, David S.","Ferromagnetic Spin-1/2 Dimers with Strong Anisotropy in MoCl5","Chemistry of Materials","2019","31","8","2952","","10.1021/acs.chemmater.9b00416","","","0.71073","MoKα","","0.0511","0.0402","","","0.0907","0.0965","","","","","","0.995","","","","has coordinates","220367","2020-10-21","18:00:00",""
"4002943","6.0628","0.0007","16.667","0.002","6.4569","0.0008","90","","115.502","0.002","90","","588.89","0.12","175","5","175","5","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","molybdenum pentachloride","","","- Cl5 Mo -","- Cl5 Mo -","- Cl20 Mo4 -","4","1","","McGuire, Michael A.; Pandey, Tribhuwan; Mu, Sai; Parker, David S.","Ferromagnetic Spin-1/2 Dimers with Strong Anisotropy in MoCl5","Chemistry of Materials","2019","31","8","2952","","10.1021/acs.chemmater.9b00416","","","0.71073","MoKα","","0.0507","0.0498","","","0.1215","0.122","","","","","","1.129","","","","has coordinates","220367","2020-10-21","18:00:00",""
"4002944","7.789","0.004","10.221","0.006","7.344","0.004","90","","90","","90","","584.7","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- H4 I Mo N O6 -","- H4 I Mo N O6 -","- H16 I4 Mo4 N4 O24 -","4","1","","Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie","Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses","Chemistry of Materials","2019","31","8","2992","","10.1021/acs.chemmater.9b00521","","","0.71073","MoKα","","0.0292","0.0275","","","0.0592","0.06","","","","","","1.063","","","","has coordinates","220368","2020-10-21","18:00:00",""
"4002945","30.02","0.04","10.205","0.013","7.762","0.01","90","","103.786","0.015","90","","2309","5","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- I2 K Mo2 O12 Rb -","- I2 K1.0495 Mo2 O12 Rb0.9505 -","- I16 K8.396 Mo16 O96 Rb7.604 -","8","2","","Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie","Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses","Chemistry of Materials","2019","31","8","2992","","10.1021/acs.chemmater.9b00521","","","0.71073","MoKα","","0.0632","0.0534","","","0.1125","0.1195","","","","","","1.049","","","","has coordinates","220369","2020-10-21","18:00:00",""
"4002946","7.82","0.0006","7.8238","0.0006","7.8325","0.0003","90","","90","","90","","479.21","0.06","573","","573","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95 Ti0.1 -","- Na8 Nb7.2 O23.6 Ti0.8 -","8","0.5","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0231","0.0185","","0.0283","0.0274","","","","1.85","","","","","","","has coordinates","220370","2020-10-21","18:00:00",""
"4002947","5.5495","0.0003","7.7714","0.0004","5.5088","0.0003","90","","90","","90","","237.58","0.02","293","","293","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95005 Ti0.1 -","- Na4 Nb3.6 O11.8002 Ti0.4 -","4","1","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.54187","","","0.0418","0.0355","","0.0536","0.051","","","","3.03","","","","","","","has coordinates","220371","2020-10-21","18:00:00",""
"4002948","3.94456","0.00005","3.94456","0.00005","3.94456","0.00005","90","","90","","90","","61.3756","0.0013","993","","993","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.9499 Ti0.1 -","- Na Nb0.9 O2.9499 Ti0.1 -","1","0.0208333","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0239","0.0239","","0.0471","0.0471","","","","1.63","","","","","","","has coordinates","220372","2020-10-21","18:00:00",""
"4002949","7.8393","0.0003","7.8455","0.0004","7.8495","0.0003","90","","90","","90","","482.77","0.04","693","","693","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95 Ti0.1 -","- Na8 Nb7.2 O23.6 Ti0.8 -","8","0.5","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0296","0.0162","","0.0315","0.0277","","","","1.71","","","","","","","has coordinates","220373","2020-10-21","18:00:00",""
"4002950","5.5342","0.0003","7.7926","0.0003","5.5182","0.0003","90","","90","","90","","237.98","0.02","373","","373","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95005 Ti0.1 -","- Na4 Nb3.6 O11.8002 Ti0.4 -","4","1","","Gouget, Guillaume; Duttine, Mathieu; Chung, U-Chan; Fourcade, Sébastien; Mauvy, Fabrice; Braida, Marc-David; Le Mercier, Thierry; Demourgues, Alain","High Ionic Conductivity in Oxygen-Deficient Ti-Substituted Sodium Niobates and the Key Role of Structural Features","Chemistry of Materials","2019","31","8","2828","","10.1021/acs.chemmater.8b05292","powder diffraction","x-ray","1.79028","","","0.0298","0.0223","","0.0386","0.0367","","","","2.35","","","","","","","has coordinates","220374","2020-10-21","18:00:00",""
"4002951","10.8375","0.0007","10.7456","0.0006","6.6377","0.0004","90","","90","","90","","773","0.08","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ge Hg Se4 Sr -","- Ge Hg Se4 Sr -","- Ge4 Hg4 Se16 Sr4 -","4","0.5","","Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng","BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials","Chemistry of Materials","2019","31","8","3034","","10.1021/acs.chemmater.9b01023","","","0.71073","MoKα","","0.0456","0.0451","","","0.1113","0.1116","","","","","","1.131","","","","has coordinates","220375","2020-10-21","18:00:00",""
"4002952","11.255","0.002","11.033","0.002","6.6847","0.0013","90","","90","","90","","830.1","0.3","153","2","153","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Ge Hg Se4 -","- Ba Ge Hg Se4 -","- Ba4 Ge4 Hg4 Se16 -","4","0.5","","Guo, Yangwu; Liang, Fei; Yin, Wenlong; Li, Zhuang; Luo, Xiaoyu; Lin, Zhe-Shuai; Yao, Jiyong; Mar, Arthur; Wu, Yicheng","BaHgGeSe4 and SrHgGeSe4: Two New Hg-Based Infrared Nonlinear Optical Materials","Chemistry of Materials","2019","31","8","3034","","10.1021/acs.chemmater.9b01023","","","0.71073","MoKα","","0.0441","0.0393","","","0.0955","0.0967","","","","","","1.116","","","","has coordinates","220376","2020-10-21","18:00:00",""
"4002953","7.2941","0.0005","15.3229","0.001","15.3893","0.001","90","","90","","90","","1720","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br4 N4 Zn -","- C10 H14 Br4 N4 Zn -","- C40 H56 Br16 N16 Zn4 -","4","1","","Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad","Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission","Chemistry of Materials","2019","31","8","2983","","10.1021/acs.chemmater.9b00537","","","0.71073","MoKα","","0.018","0.0163","","","0.0344","0.0348","","","","","","1.008","","","","has coordinates","220377","2020-10-21","18:00:00",""
"4002954","6.7934","0.0007","13.8808","0.0015","18.685","0.002","90","","90","","90","","1762","0.3","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","DD115","di(4-aminopyridine)tetrabromomercurate","","- C10 H16 Br4 Hg N4 O -","- C10 H16 Br4 Hg N4 O -","- C40 H64 Br16 Hg4 N16 O4 -","4","0.5","","Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad","Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission","Chemistry of Materials","2019","31","8","2983","","10.1021/acs.chemmater.9b00537","","","0.71073","MoKα","","0.0238","0.0172","","","0.0322","0.0338","","","","","","1.01","","","","has coordinates","220378","2020-10-21","18:00:00",""
"4002955","15.214","0.004","6.5316","0.0018","11.33","0.003","90","","96.646","0.004","90","","1118.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Nakamura, Tomoya; Shioya, Nobutaka; Shimoaka, Takafumi; Nishikubo, Ryosuke; Hasegawa, Takeshi; Saeki, Akinori; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi","Molecular Orientation Change in Naphthalene Diimide Thin Films Induced by Removal of Thermally Cleavable Substituents","Chemistry of Materials","2019","31","5","1729","","10.1021/acs.chemmater.8b05237","","","0.71073","MoKα","","0.0747","0.0427","","","0.1158","0.1478","","","","","","1.129","","","","has coordinates","220379","2020-10-21","18:00:00",""
"4002956","5.0627","0.0005","10.0139","0.0011","16.3981","0.0017","89.874","0.004","85.867","0.003","80.53","0.004","817.84","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Celecixib","4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide","","- C17 H14 F3 N3 O2 S -","- C17 H14 F3 N3 O2 S -","- C34 H28 F6 N6 O4 S2 -","2","1","","Wang, Kunlin; Mishra, Manish Kumar; Sun, Changquan Calvin","Exceptionally Elastic Single-Component Pharmaceutical Crystals","Chemistry of Materials","2019","31","5","1794","","10.1021/acs.chemmater.9b00040","","","0.71073","MoKα","","0.0588","0.0409","","","0.0834","0.0911","","","","","","1.1","","","","has coordinates","220380","2020-10-21","18:00:00",""
"4002957","10.8429","0.00006","10.8429","0.00006","10.8429","0.00006","90","","90","","90","","1274.78","0.012","298","","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","?Cs2NaBiCl6?","- Bi Cl6 Cs2 Na -","- Bi Cl6 Cs2 Na -","- Bi4 Cl24 Cs8 Na4 -","4","0.0208333","","Majher, Jackson D.; Gray, Matthew B.; Strom, T. Amanda; Woodward, Patrick M.","Cs2NaBiCl6:Mn2+—A New Orange-Red Halide Double Perovskite Phosphor","Chemistry of Materials","2019","31","5","1738","","10.1021/acs.chemmater.8b05280","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","286259","2023-09-07","05:55:36",""
"4002958","5.5751","0.0004","25.0978","0.0018","12.0481","0.0008","90","","91.294","0.003","90","","1685.4","0.2","100","","100","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 -","- C23 H24 -","- C92 H96 -","4","1","","Abdulhamid, Mahmoud A.; Lai, Holden W. H.; Wang, Yingge; Jin, Zexin; Teo, Yew Chin; Ma, Xiaohua; Pinnau, Ingo; Xia, Yan","Microporous Polyimides from Ladder Diamines Synthesized by Facile Catalytic Arene‒Norbornene Annulation as High-Performance Membranes for Gas Separation","Chemistry of Materials","2019","31","5","1767","","10.1021/acs.chemmater.8b05359","","x-ray","0.7749","","","0.0533","0.0468","","","0.1236","0.1289","","","","","","1.045","","","","has coordinates","220382","2020-10-21","18:00:00",""
"4002959","13.348","0.003","7.9703","0.0016","6.1343","0.0012","90","","90","","90","","652.6","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium thio-phosphate thio-silicate","","","- Li7 P S8 Si -","- Li7 P S8 Si -","- Li14 P2 S16 Si2 -","2","0.25","","Harm, Sascha; Hatz, Anna-Katharina; Moudrakovski, Igor; Eger, Roland; Kuhn, Alexander; Hoch, Constantin; Lotsch, Bettina V.","Lesson Learned from NMR: Characterization and Ionic Conductivity of LGPS-like Li7SiPS8","Chemistry of Materials","2019","31","4","1280","","10.1021/acs.chemmater.8b04051","","","0.71073","MoKα","","0.0383","0.0237","","","0.0484","0.0524","","","","","","0.883","","","","has coordinates","220383","2020-10-21","18:00:00",""
"4002960","12.8917","0.0006","15.4364","0.0007","18.9628","0.0008","90","","90.9808","0.0018","90","","3773.1","0.3","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H38 Cl2 N4 -","- C49 H38 Cl2 N4 -","- C196 H152 Cl8 N16 -","4","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0655","0.0475","","","0.1181","0.1289","","","","","","1.022","","","","has coordinates,has disorder","220384","2020-10-21","18:00:00",""
"4002961","23.7795","0.0007","31.6796","0.0009","28.2823","0.0008","90","","105.925","0.0014","90","","20488.1","1","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H54 F9 N7 -","- C86.75 H53.2 F9 N6.78333 -","- C1041 H638.4 F108 N81.4 -","12","3","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","","1.54184","CuKα","","0.2054","0.0875","","","0.1951","0.2584","","","","","","0.963","","","","has coordinates,has disorder","220385","2020-10-21","18:00:00",""
"4002962","11.597","0.0006","11.7168","0.0007","30.9436","0.0017","90","","94.632","0.004","90","","4190.9","0.4","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H33 F9 N4 -","- C51 H33 F9 N4 -","- C204 H132 F36 N16 -","4","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","1.54184","CuKα","","0.0845","0.053","","","0.1237","0.1404","","","","","","1.017","","","","has coordinates","220386","2020-10-21","18:00:00",""
"4002963","13.5152","0.0009","15.9168","0.0011","16.6423","0.0011","85.84","0.003","81.097","0.003","87.662","0.003","3526","0.4","120","2","120","","","","","","","","","4","P -1","-P 1","2","","","","- C85 H53 Cl8 N7 -","- C84.75 H52.5 Cl8 N7 -","- C169.5 H105 Cl16 N14 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0777","0.0503","","","0.118","0.1297","","","","","","1.043","","","","has coordinates,has disorder","220387","2020-10-21","18:00:00",""
"4002964","8.8469","0.0004","14.7416","0.0007","17.2028","0.0008","78.926","0.0016","75.5208","0.0016","78.6689","0.0016","2105.66","0.17","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H30 F18 N4 -","- C48 H30 F18 N4 -","- C96 H60 F36 N8 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0515","0.0359","","","0.0858","0.0922","","","","","","1.024","","","","has coordinates","220388","2020-10-21","18:00:00",""
"4002965","12.6152","0.001","13.4441","0.0011","17.6978","0.0014","103.975","0.003","108.229","0.003","99.666","0.003","2668.3","0.4","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C78 H48 N4 -","- C78 H48 N4 -","- C156 H96 N8 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0785","0.05","","","0.128","0.1404","","","","","","1.041","","","","has coordinates","220389","2020-10-21","18:00:00",""
"4002966","13.2691","0.0005","17.2803","0.0007","17.4319","0.0006","83.5287","0.0015","71.3655","0.0014","75.6091","0.0014","3666.2","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C80.5 H59 Cl11 N4 -","- C81 H54 Cl6 N4 -","- C162 H108 Cl12 N8 -","2","1","","Ward, Jonathan S.; Kukhta, Nadzeya A.; dos Santos, Paloma L.; Congrave, Daniel G.; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Delayed Blue Fluorescence via Upper-Triplet State Crossing from C‒C Bonded Donor‒Acceptor Charge Transfer Molecules with Azatriangulene Cores","Chemistry of Materials","2019","31","17","6684","","10.1021/acs.chemmater.9b01184","","x-ray","0.71073","MoKα","","0.0802","0.0637","","","0.1633","0.1742","","","","","","1.058","","","","has coordinates,has disorder","220390","2020-10-21","18:00:00",""
"4002967","8.0302","0.0002","42.395","0.0009","9.439","0.0002","90","","97.458","0.002","90","","3186.23","0.13","100","0.1","100","0.1","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C32 H24 I3 N5 Pb -","- C32 H24 I3 N5 Pb -","- C128 H96 I12 N20 Pb4 -","4","1","","Marchal, Nadège; Van Gompel, Wouter; Gélvez-Rueda, María C.; Vandewal, Koen; Van Hecke, Kristof; Boyen, Hans-Gerd; Conings, Bert; Herckens, Roald; Maheshwari, Sudeep; Lutsen, Laurence; Quarti, Claudio; Grozema, Ferdinand C.; Vanderzande, Dirk; Beljonne, David","Lead-Halide Perovskites Meet Donor‒Acceptor Charge-Transfer Complexes","Chemistry of Materials","2019","31","17","6880","","10.1021/acs.chemmater.9b01289","","x-ray","0.71073","MoKα","","0.0286","0.026","","","0.0541","0.0556","","","","","","1.041","","","","has coordinates","220391","2020-10-21","18:00:00",""
"4002968","8.60863","0.00016","14.2697","0.0003","5.32468","0.0001","90","","100.651","0.0007","90","","642.83","0.02","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Se4 -","- C12 H10 Se4 -","- C24 H20 Se8 -","2","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0347","0.0328","","","0.0767","0.0779","","","","","","1.097","","","","has coordinates","220392","2020-10-21","18:00:00",""
"4002969","14.5203","0.0004","5.27442","0.00015","15.8554","0.0004","90","","90","","90","","1214.3","0.06","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","- C48 H40 S8 Se8 -","4","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0692","0.0586","","","0.1527","0.1605","","","","","","1.032","","","","has coordinates","220393","2020-10-21","18:00:00",""
"4002970","5.32021","0.0001","7.28902","0.00017","8.31911","0.00019","81.0598","0.0015","80.9249","0.0015","71.7042","0.0013","300.53","0.012","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","- C12 H10 S2 Se2 -","1","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0607","0.0566","","","0.1393","0.1442","","","","","","1.076","","","","has coordinates","220394","2020-10-21","18:00:00",""
"4002971","8.4327","0.0002","13.6718","0.0003","5.46391","0.00014","90","","99.7583","0.0016","90","","620.82","0.03","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Se4 -","- C12 H10 Se4 -","- C24 H20 Se8 -","2","0.5","","Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo","Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties","Chemistry of Materials","2019","31","17","6696","","10.1021/acs.chemmater.9b01187","","","1.54187","CuKα","","0.0563","0.0504","","","0.1132","0.1162","","","","","","1.07","","","","has coordinates","220395","2020-10-21","18:00:00",""
"4002972","7.13182","0.00014","7.33176","0.00014","22.8392","0.0004","90","","90","","90","","1194.23","0.04","99.9","0.5","99.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","di(ortho-methylphenyl) selane","","- C14 H14 Se -","- C14 H14 Se -","- C56 H56 Se4 -","4","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0926","0.0928","","","","","","1.061","","","","has coordinates,has disorder","220396","2020-10-21","18:00:00",""
"4002973","9.74881","0.00017","6.68747","0.00014","16.9645","0.0003","90","","90.755","0.0015","90","","1105.9","0.04","297.6","0.1","297.6","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,6-dimethyldibenzoselenophene","","- C14 H12 Se -","- C14 H12 Se -","- C56 H48 Se4 -","4","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0328","0.0299","","","0.0873","0.1114","","","","","","1.222","","","","has coordinates","220397","2020-10-21","18:00:00",""
"4002974","6.64274","0.00017","18.4437","0.0005","16.9726","0.0004","90","","90","","90","","2079.43","0.09","298.48","0.1","298.48","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","2,3-dibromo-5,6-dicyanobenzioquinone 4,6-dimethyldibenzoselenophene","","- C22 H12 Br2 N2 O2 Se -","- C22 H12 Br2 N2 O2 Se -","- C88 H48 Br8 N8 O8 Se4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0221","0.021","","","0.0547","0.0549","","","","","","1.074","","","","has coordinates,has disorder","220398","2020-10-21","18:00:00",""
"4002975","6.6092","0.0001","18.3407","0.0002","16.8277","0.0001","90","","90","","90","","2039.81","0.04","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","2,3-dibromo-5,6-dicyanobenzoquinone 4,6-dimethyldibenzothiophene","","- C22 H12 Br2 N2 O2 S -","- C22 H12 Br2 N2 O2 S -","- C88 H48 Br8 N8 O8 S4 -","4","0.5","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0374","0.0349","","","0.0819","0.0899","","","","","","1.074","","","","has coordinates,has disorder","220399","2020-10-21","18:00:00",""
"4002976","6.6291","0.0005","9.706","0.0007","16.5873","0.0007","77.051","0.005","88.795","0.004","72.485","0.006","990.66","0.12","298.7","0.5","298.7","0.5","","","","","","","","6","P -1","-P 1","2","","4,6-dimethyldibenzoselenophene 2,3-dichloro-5,6-dicyanobenzoquinone","","- C22 H12 Cl2 N2 O2 Se -","- C22 H12 Cl2 N2 O2 Se -","- C44 H24 Cl4 N4 O4 Se2 -","2","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0844","0.0755","","","0.2017","0.2098","","","","","","1.105","","","","has coordinates,has disorder","220400","2020-10-21","18:00:00",""
"4002977","14.7769","0.0007","14.7769","0.0007","13.6748","0.0009","90","","90","","120","","2585.9","0.2","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C6 H24 Bi2 I10 N4 O2 -","- C6 H24 Bi2 I10 N4 O2 -","- C18 H72 Bi6 I30 N12 O6 -","3","0.5","","Pious, Johnpaul K.; Katre, Ankita; Muthu, Chinnadurai; Chakraborty, Sudip; Krishna, Swathi; Nair, Vijayakumar C.","Zero-Dimensional Lead-Free Hybrid Perovskite-like Material with a Quantum-Well Structure","Chemistry of Materials","2019","31","6","1941","","10.1021/acs.chemmater.8b04642","","","0.71073","MoKα","","0.0444","0.0319","","","0.065","0.0704","","","","","","1.043","","","","has coordinates","220401","2020-10-21","18:00:00",""
"4002978","5.9997","0.0008","5.9997","0.0008","5.9997","0.0008","90","","90","","90","","215.97","0.05","296","2","296","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ga2 Li Rh -","- Ga2 Li Rh -","- Ga8 Li4 Rh4 -","4","0.0208333","","Carnicom, Elizabeth M.; Xie, Weiwei; Yang, Zoe; Górnicka, Karolina; Kong, Tai; Klimczuk, Tomasz; Cava, Robert J.","Importance of Specific Heat Characterization when Reporting New Superconductors: An Example of Superconductivity in LiGa2Rh","Chemistry of Materials","2019","31","6","2164","","10.1021/acs.chemmater.9b00258","","","0.71073","MoKα","","0.0185","0.0185","","","0.051","0.051","","","","","","1.416","","","","has coordinates","220402","2020-10-21","18:00:00",""
"4002979","9.344","0.0016","9.344","0.0016","14.498","0.004","90","","90","","120","","1096.2","0.4","293","2","293","2","","","","","","","","8","P 63","P 6c","173","","","","- C3 H0 Br Cs0 Lu8 N0 O25 Zn0 -","- C3 Br Lu8 O25 -","- C6 Br2 Lu16 O50 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0672","0.0522","","","0.1098","0.1519","","","","","","1.062","","","","has coordinates","220403","2020-10-21","18:00:00",""
"4002980","9.4927","0.0009","9.4927","0.0009","14.752","0.003","90","","90","","120","","1151.2","0.3","293","2","293","2","","","","","","","","8","P 63","P 6c","173","","","","- C3 H0 Br Cs0 N0 O25 Y8 Zn0 -","- C3 Br O25 Y8 -","- C6 Br2 O50 Y16 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.06","0.0502","","","0.1014","0.1053","","","","","","0.981","","","","has coordinates","220404","2020-10-21","18:00:00",""
"4002981","9.354","0.0016","9.354","0.0016","14.415","0.003","90","","90","","120","","1092.3","0.3","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- C3 Cl Lu8 O25 -","- C3 Cl Lu8 O25 -","- C6 Cl2 Lu16 O50 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0381","0.0367","","","0.0759","0.0766","","","","","","1.142","","","","has coordinates","220405","2020-10-21","18:00:00",""
"4002982","9.5353","0.0012","9.5353","0.0012","14.729","0.005","90","","90","","120","","1159.8","0.4","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 Cl O25 Y8 -","- C3 H15 Cl O25 Y8 -","- C6 H30 Cl2 O50 Y16 -","2","0.333333","","Cao, Liling; Song, Yunxia; Peng, Guang; Luo, Min; Yang, Yi; Lin, Chen-sheng; Zhao, Dan; Xu, Feng; Lin, Zheshuai; Ye, Ning","Refractive Index Modulates Second-Harmonic Responses in RE8O(CO3)3(OH)15X (RE = Y, Lu; X = Cl, Br): Rare-Earth Halide Carbonates as Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2019","31","6","2130","","10.1021/acs.chemmater.9b00068","","","0.71073","MoKα","","0.0622","0.0532","","","0.0978","0.1015","","","","","","1.183","","","","has coordinates","220406","2020-10-21","18:00:00",""
"4002985","16.93","0.003","17.029","0.003","16.693","0.003","90","","92.61","0.03","90","","4807.6","1.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Mn4 Sb18 Yb21 -","- Mn3.923 Sb18 Yb20.9416 -","- Mn15.692 Sb72 Yb83.7664 -","4","0.5","","He, Allan; Bux, Sabah K.; Hu, Yufei; Uhl, David; Li, Li; Donadio, Davide; Kauzlarich, Susan M.","Structural Complexity and High Thermoelectric Performance of the Zintl Phase: Yb21Mn4Sb18","Chemistry of Materials","2019","31","19","8076","","10.1021/acs.chemmater.9b02671","","","0.71073","MoKα","","0.0284","0.0224","","","0.0394","0.0411","","","","","","1.142","","","","has coordinates,has disorder","220409","2020-10-21","18:00:00",""
"4002986","15.8869","0.0013","18.505","0.003","27.6655","0.0015","90","","102.617","0.007","90","","7936.9","1.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H80 Br2 N4 O2 S4 -","- C94 H80 Br2 N4 O2 S4 -","- C376 H320 Br8 N16 O8 S16 -","4","1","","Qu, Jianfei; Li, Duning; Wang, Huan; Zhou, Jiadong; Zheng, Nan; Lai, Hanjian; Liu, Tao; Xie, Zengqi; He, Feng","Bromination of the Small-Molecule Acceptor with Fixed Position for High-Performance Solar Cells","Chemistry of Materials","2019","31","19","8044","","10.1021/acs.chemmater.9b02501","","x-ray","1.54184","CuKα","","0.2461","0.131","","","0.3258","0.4238","","","","","","1.252","","","","has coordinates","220410","2020-10-21","18:00:00",""
"4002987","13.0467","0.0018","8.0707","0.0012","6.1395","0.0009","90","","90","","90","","646.46","0.16","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.21 P0.85 S4 Si0.15 -","- Li3.216 P0.85 S4 Si0.15 -","- Li12.864 P3.4 S16 Si0.6 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0506","0.0355","","","0.0726","0.0754","","","","","","1.213","","","","has coordinates","220411","2020-10-21","18:00:00",""
"4002988","13.4165","0.0019","7.9107","0.0011","6.1283","0.0008","90","","90","","90","","650.42","0.15","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.58 P0.5 S4 Si0.5 -","- Li3.57 P0.5 S4 Si0.5 -","- Li14.28 P2 S16 Si2 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0543","0.0373","","","0.0893","0.0995","","","","","","1.005","","","","has coordinates","220412","2020-10-21","18:00:00",""
"4002989","6.112","0.002","7.781","0.003","6.88","0.003","90","","91.147","0.009","90","","327.1","0.2","280","2","280","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Li3.83 P0.2 S4 Si0.8 -","- Li3.82 P0.2 S4 Si0.8 -","- Li7.64 P0.4 S8 Si1.6 -","2","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.065","0.048","","","0.1146","0.1216","","","","","","1.117","","","","has coordinates","220413","2020-10-21","18:00:00",""
"4002990","13.675","0.0018","7.7946","0.001","6.1411","0.0009","90","","90","","90","","654.59","0.15","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.66 P0.33 S4 Si0.67 -","- Li3.65 P0.33 S4 Si0.67 -","- Li14.6 P1.32 S16 Si2.68 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0472","0.0441","","","0.1158","0.1185","","","","","","1.099","","","","has coordinates","220414","2020-10-21","18:00:00",""
"4002991","13.158","0.0012","8.0286","0.0007","6.1287","0.0005","90","","90","","90","","647.44","0.1","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.28 P0.75 S4 Si0.25 -","- Li3.274 P0.75 S4 Si0.25 -","- Li13.096 P3 S16 Si -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0263","0.0192","","","0.0438","0.0461","","","","","","1.036","","","","has coordinates","220415","2020-10-21","18:00:00",""
"4002992","13.156","0.007","8.016","0.004","6.132","0.003","90","","90","","90","","646.7","0.6","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.23 P0.75 S4 Si0.25 -","- Li3.224 P0.75 S4 Si0.25 -","- Li12.896 P3 S16 Si -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0458","0.0311","","","0.0686","0.0737","","","","","","0.984","","","","has coordinates","220416","2020-10-21","18:00:00",""
"4002993","13.2489","0.0004","8.0094","0.0002","6.1311","0.0002","90","","90","","90","","650.61","0.03","280","2","280","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li3.33 P0.67 S4 Si0.33 -","- Li3.324 P0.67 S4 Si0.33 -","- Li13.296 P2.68 S16 Si1.32 -","4","0.5","","Zhou, Laidong; Assoud, Abdeljalil; Shyamsunder, Abhinandan; Huq, Ashfia; Zhang, Qiang; Hartmann, Pascal; Kulisch, Joern; Nazar, Linda F.","An Entropically Stabilized Fast-Ion Conductor: Li3.25[Si0.25P0.75]S4","Chemistry of Materials","2019","31","19","7801","","10.1021/acs.chemmater.9b00657","","","0.71073","MoKα","","0.0142","0.013","","","0.0358","0.0368","","","","","","0.838","","","","has coordinates","220417","2020-10-21","18:00:00",""
"4002994","8.63101","0.00011","8.95452","0.0001","15.8648","0.0002","90","","95.9401","0.0013","90","","1219.55","0.03","225","0.1","225","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Cl2 I4 N2 Pb -","- C14 H18 Cl2 I4 N2 Pb -","- C28 H36 Cl4 I8 N4 Pb2 -","2","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0538","0.0396","","","0.0873","0.0919","","","","","","0.984","","","","has coordinates","220418","2020-10-21","18:00:00",""
"4002995","8.6061","0.0001","8.9116","0.0001","15.8703","0.0002","90","","95.141","0.001","90","","1212.26","0.02","104","0.8","104","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br2 I4 N2 Pb -","- C14 H18 Br2 I4 N2 Pb -","- C28 H36 Br4 I8 N4 Pb2 -","2","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0267","0.0242","","","0.0514","0.0519","","","","","","1.013","","","","has coordinates","220419","2020-10-21","18:00:00",""
"4002996","8.69555","0.00015","9.24417","0.00016","27.5255","0.0006","90","","97.6029","0.0019","90","","2193.13","0.07","106","6","106","6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 F2 I4 N2 Pb -","- C14 H18 F2 I4 N2 Pb -","- C56 H72 F8 I16 N8 Pb4 -","4","1","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0413","0.0313","","","0.0602","0.0626","","","","","","1.065","","","","has coordinates","220420","2020-10-21","18:00:00",""
"4002997","16.9722","0.0002","8.8779","0.00012","8.67966","0.00011","90","","103.356","0.0014","90","","1272.46","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 I6 N2 Pb -","- C14 H18 I6 N2 Pb -","- C28 H36 I12 N4 Pb2 -","2","0.5","","Tremblay, Marie-Hélène; Bacsa, John; Zhao, Boqin; Pulvirenti, Federico; Barlow, Stephen; Marder, Seth R.","Structures of (4-Y-C6H4CH2NH3)2PbI4 {Y = H, F, Cl, Br, I}: Tuning of Hybrid Organic Inorganic Perovskite Structures from Ruddlesden‒Popper to Dion‒Jacobson Limits","Chemistry of Materials","2019","31","16","6145","","10.1021/acs.chemmater.9b01564","","x-ray","0.71073","MoKα","","0.0265","0.0237","","","0.0517","0.0526","","","","","","1.045","","","","has coordinates","220421","2020-10-21","18:00:00",""
"4002998","19.4841","0.0015","19.4841","0.0015","29.403","0.002","90","","90","","120","","9666.8","1.2","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","Ni-MaSOF","","","- C64 H34 N6 Ni3 O6 S0.67 -","- C64 H34 N6 Ni3 O6 -","- C384 H204 N36 Ni18 O36 -","6","0.333333","","Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption","Chemistry of Materials","2019","31","16","6210","","10.1021/acs.chemmater.9b02165","","","0.71073","MoKα","","0.066","0.0448","","","0.108","0.1173","","","","","","1.031","","","","has coordinates","220422","2020-10-21","18:00:00",""
"4002999","19.647","0.004","19.647","0.004","29.805","0.006","90","","90","","120","","9964","4","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","Cu-MaSOF","","","- C76 H70 Cu3 N6 O12 S6 -","- C76 H70 Cu3 N6 O12 S6 -","- C456 H420 Cu18 N36 O72 S36 -","6","0.333333","","Elbert, Sven M.; Zhang, Wen-Shan; Vaynzof, Yana; Oberhof, Nils; Bernhardt, Moritz; Pernpointner, Markus; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Metal-Assisted Salphen Organic Frameworks (MaSOFs) with Trinuclear Metal Units for Synergic Gas Sorption","Chemistry of Materials","2019","31","16","6210","","10.1021/acs.chemmater.9b02165","","","0.71073","MoKα","","0.1402","0.0803","","","0.1994","0.2395","","","","","","1.033","","","","has coordinates,has disorder","220422","2020-10-21","18:00:00",""
"4003000","13.739","0.0013","19.3401","0.0019","21.343","0.002","90","","90","","90","","5671.1","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Ba5 Cl10 F20 O27 -","- C20 Ba5 Cl10 F20 O27 -","- C80 Ba20 Cl40 F80 O108 -","4","1","","Dissanayake, K. Tauni; Amarasinghe, Dinesh K.; Suescun, Leopoldo; Rabuffetti, Federico A.","Accessing Mixed-Halide Upconverters Using Heterohaloacetate Precursors","Chemistry of Materials","2019","31","16","6262","","10.1021/acs.chemmater.9b02384","","","0.71073","MoKα","","0.0861","0.0572","","","0.1068","0.1183","","","","","","1.013","","","","has coordinates,has disorder","220423","2020-10-21","18:00:00",""
"4003001","18.6737","0.0004","18.6737","0.0004","38.3967","0.001","90","","90","","120","","11595.4","0.5","95","2","95","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C12 H7 Cu O7 -","- C12 H7 Cu O7 -","- C216 H126 Cu18 O126 -","18","0.5","","Tian, Yuanmeng; Liang, Gan; Fan, Tao; Shang, Jin; Shang, Shanshan; Ma, Yunsheng; Matsuda, Ryotaro; Liu, Mingxian; Wang, Man; Li, Liangchun; Kitagawa, Susumu","Grafting Free Carboxylic Acid Groups onto the Pore Surface of 3D Porous Coordination Polymers for High Proton Conductivity","Chemistry of Materials","2019","31","20","8494","","10.1021/acs.chemmater.9b02924","","","0.71073","MoKα","","0.0578","0.0539","","","0.1857","0.1878","","","","","","1.176","","","","has coordinates,has disorder","220424","2020-10-21","18:00:00",""
"4003002","18.8598","0.0006","18.8598","0.0006","37.7513","0.0018","90","","90","","120","","11628.8","0.8","273","2","273","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C13 H5 Cu O9 -","- C13 H5 Cu O9 -","- C234 H90 Cu18 O162 -","18","0.5","","Tian, Yuanmeng; Liang, Gan; Fan, Tao; Shang, Jin; Shang, Shanshan; Ma, Yunsheng; Matsuda, Ryotaro; Liu, Mingxian; Wang, Man; Li, Liangchun; Kitagawa, Susumu","Grafting Free Carboxylic Acid Groups onto the Pore Surface of 3D Porous Coordination Polymers for High Proton Conductivity","Chemistry of Materials","2019","31","20","8494","","10.1021/acs.chemmater.9b02924","","","0.71073","MoKα","","0.1238","0.1069","","","0.2759","0.2903","","","","","","1.229","","","","has coordinates,has disorder","220425","2020-10-21","18:00:00",""
"4003003","15.4911","0.0009","5.4136","0.0003","33.149","0.003","90","","97.184","0.006","90","","2758.1","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Cl0 N2 O0 S4 -","- C28 H38 N2 S4 -","- C112 H152 N8 S16 -","4","1","","Cao, Zhixiong; Chen, Jiale; Liu, Shengjian; Qin, Minchao; Jia, Tao; Zhao, Jiaji; Li, Qingduan; Ying, Lei; Cai, Yue-Peng; Lu, Xinhui; Huang, Fei; Cao, Yong","Understanding of Imine Substitution in Wide-Bandgap Polymer Donor-Induced Efficiency Enhancement in All-Polymer Solar Cells","Chemistry of Materials","2019","31","20","8533","","10.1021/acs.chemmater.9b03570","","x-ray","1.54184","CuKα","","0.0874","0.0626","","","0.1591","0.1771","","","","","","1.029","","","","has coordinates","220426","2020-10-21","18:00:00",""
"4003004","12.5046","0.0006","7.6471","0.0003","12.9975","0.0006","90","","90","","90","","1242.87","0.1","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As8 Mg3 Si3 -","- As8 Mg3 Si3 -","- As32 Mg12 Si12 -","4","0.5","","Wang, Jian; Mark, Justin; Woo, Katherine E.; Voyles, Jackson; Kovnir, Kirill","Chemical Flexibility of Mg in Pnictide Materials: Structure and Properties Diversity","Chemistry of Materials","2019","31","20","8286","","10.1021/acs.chemmater.9b03740","","","0.71073","MoKα","","0.0137","0.012","","","0.0268","0.0283","","","","","","1.273","","","","has coordinates","220427","2020-10-21","18:00:00",""
"4003005","29.7184","0.0013","6.1756","0.0003","12.247","0.0005","90","","92.7847","0.001","90","","2245.02","0.17","298","2","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 I4 N2 Pb S2 -","- C12 H18 I4 N2 Pb S2 -","- C48 H72 I16 N8 Pb4 S8 -","4","0.5","","Jana, Manoj K.; Liu, Chi; Lidin, Sven; Dirkes, David J.; You, Wei; Blum, Volker; Mitzi, David B.","Resolving Rotational Stacking Disorder and Electronic Level Alignment in a 2D Oligothiophene-Based Lead Iodide Perovskite","Chemistry of Materials","2019","31","20","8523","","10.1021/acs.chemmater.9b03208","","","0.71073","MoKα","","0.0642","0.0548","","","0.2025","0.2168","","","","","","1.197","","","","has coordinates,has disorder","220428","2020-10-21","18:00:00",""
"4003006","18.6809","0.0009","19.188","0.003","12.7644","0.0006","90","","90","","90","","4575.4","0.8","280","0.1","280","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C2 H14 I4 N4 Pb -","- C2 H12.9572 I4 N4 Pb -","- C24 H155.486 I48 N48 Pb12 -","12","1.5","","Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam","Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions","Chemistry of Materials","2019","31","20","8563","","10.1021/acs.chemmater.9b03775","","x-ray","0.71073","MoKα","","0.0787","0.0437","","","0.092","0.1075","","","","","","1.129","","","","has coordinates,has disorder","220429","2020-10-21","18:00:00",""
"4003007","18.466","0.0007","19.0768","0.0011","12.638","0.001","89.996","0.004","90.032","0.005","90.004","0.005","4452","0.5","99.98","0.13","99.98","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C2 H14 I4 N4 Pb -","- C2 H14 I4 N4 Pb -","- C24 H168 I48 N48 Pb12 -","12","6","","Mączka, Mirosław; Ptak, Maciej; Gągor, Anna; Stefańska, Dagmara; Sieradzki, Adam","Layered Lead Iodide of [Methylhydrazinium]2PbI4 with a Reduced Band Gap: Thermochromic Luminescence and Switchable Dielectric Properties Triggered by Structural Phase Transitions","Chemistry of Materials","2019","31","20","8563","","10.1021/acs.chemmater.9b03775","","x-ray","0.71073","MoKα","","0.1249","0.0679","","","0.1649","0.2072","","","","","","0.983","","","","has coordinates","220430","2020-10-21","18:00:00",""
"4003008","35.1264","0.0011","27.9091","0.001","29.5657","0.0012","90","","90","","90","","28984.6","1.8","160","","160","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C89.5 H86.9 Ag29 Cs3 N5.75 O7 S24 -","- C89.5 H86.9 Ag29 Cs3 N5.75 O7 S24 -","- C716 H695.2 Ag232 Cs24 N46 O56 S192 -","8","1","","Wei, Xiao; Kang, Xi; Yuan, Qianqin; Qin, Chenwanli; Jin, Shan; Wang, Shuxin; Zhu, Manzhou","Capture of Cesium Ions with Nanoclusters: Effects on Inter- and Intramolecular Assembly","Chemistry of Materials","2019","31","13","4945","","10.1021/acs.chemmater.9b01890","","","0.71073","MoKα","","0.0736","0.049","","","0.1305","0.1427","","","","","","1.038","","","","has coordinates,has disorder","220431","2020-10-21","18:00:00",""
"4003009","26.7649","0.0018","26.7649","0.0018","26.7649","0.0018","90","","90","","90","","19173","2","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","catena-(tetrakis(m2-2-Butylimidazolato)-di-zinc)","","","- C14 H22 N4 Zn -","- C14 H22 N4 Zn -","- C672 H1056 N192 Zn48 -","48","0.5","","Titi, Hatem M.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Mottillo, Cristina; Ayoub, Ghada; Do, Jean-Louis; Fidelli, Athena M.; Rogers, Robin D.; Friščić, Tomislav","Metal–Organic Frameworks as Fuels for Advanced Applications: Evaluating and Modifying the Combustion Energy of Popular MOFs","Chemistry of Materials","2019","31","13","4882","","10.1021/acs.chemmater.9b01488","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.076","9.325","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4003010","35.4961","0.0019","11.188","0.0005","21.9119","0.0016","90","","94.224","0.011","90","","8678.2","0.9","292.15","","292.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MUF-17","","- C32 H38 Co5 N4 O26 -","- C32 H38 Co5 N4 O26 -","- C256 H304 Co40 N32 O208 -","8","1","","Qazvini, Omid T.; Babarao, Ravichandar; Telfer, Shane G.","Multipurpose Metal‒Organic Framework for the Adsorption of Acetylene: Ethylene Purification and Carbon Dioxide Removal","Chemistry of Materials","2019","31","13","4919","","10.1021/acs.chemmater.9b01691","","x-ray","1.54178","CuKα","","0.199","0.1503","","","0.3628","0.4129","","","","","","1.42","","","","has coordinates","220433","2020-10-21","18:00:00",""
"4003011","3.3379","0.0005","3.3379","0.0005","12.2147","0.0018","90","","90","","120","","117.86","0.03","273","2","273","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Nb2 Pd0.45 S4 -","- Nb2 Pd0.45 S4 -","- Nb2 Pd0.45 S4 -","1","0.0416667","","Huang, Chong; Wang, Xin; Wang, Dong; Zhao, Wei; Bu, Kejun; Xu, Jijian; Huang, Xieyi; Bi, Qingyuan; Huang, Jian; Huang, Fuqiang","Atomic Pillar Effect in PdxNbS2 To Boost Basal Plane Activity for Stable Hydrogen Evolution","Chemistry of Materials","2019","31","13","4726","","10.1021/acs.chemmater.9b00821","","","0.71073","MoKα","","0.0294","0.0223","","","0.0478","0.0484","","","","","","1.085","","","","has coordinates","220434","2020-10-21","18:00:00",""
"4003012","5.502008","0.000009","2.948246","0.000004","4.059604","0.000007","90","","90","","90","","65.852","0.00018","300","","300","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","FeB","- B Fe -","- B Fe -","- B4 Fe4 -","4","0.5","","Bocarsly, Joshua D.; Levin, Emily E.; Humphrey, Samuel A.; Faske, Tom; Donner, Wolfgang; Wilson, Stephen D.; Seshadri, Ram","Magnetostructural Coupling Drives Magnetocaloric Behavior: The Case of MnB versus FeB","Chemistry of Materials","2019","31","13","4873","","10.1021/acs.chemmater.9b01476","powder diffraction","","0.414581","","","","","","","","","","","1.93","","","","","","","has coordinates","220435","2020-10-21","18:00:00",""
"4003013","5.563182","0.000006","2.97685","0.000003","4.147243","0.000004","90","","90","","90","","68.6815","0.00012","300","","300","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","MnB","- B Mn -","- B Mn -","- B4 Mn4 -","4","0.5","","Bocarsly, Joshua D.; Levin, Emily E.; Humphrey, Samuel A.; Faske, Tom; Donner, Wolfgang; Wilson, Stephen D.; Seshadri, Ram","Magnetostructural Coupling Drives Magnetocaloric Behavior: The Case of MnB versus FeB","Chemistry of Materials","2019","31","13","4873","","10.1021/acs.chemmater.9b01476","powder diffraction","","0.414581","","","","","","","","","","","1.93","","","","","","","has coordinates","220436","2020-10-21","18:00:00",""
"4003014","9.313","0.002","7.0555","0.0014","14.116","0.003","90","","97.977","0.004","90","","918.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C11 H23 Cl2 N5 O3 Ru S -","- C13 H7 Cl2 N5 O3 Ru S -","- C26 H14 Cl4 N10 O6 Ru2 S2 -","2","0.5","","Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng","Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching","Chemistry of Materials","2019","31","13","4927","","10.1021/acs.chemmater.9b01738","","","0.41328","synchrotron","","0.0656","0.0543","","","0.1368","0.1449","","","","","","1.061","","","","has coordinates,has disorder","220437","2020-10-21","18:00:00",""
"4003015","9.224","0.003","7.117","0.002","14.262","0.005","90","","99.945","0.005","90","","922.2","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C11 H23 Cl2 N5 O3 Ru S -","- C11 H15 Cl2 N5 O3 Ru S -","- C22 H30 Cl4 N10 O6 Ru2 S2 -","2","1","","Cole, Jacqueline M.; Velazquez-Garcia, Jose de J.; Gosztola, David J.; Wang, SuYin Grass; Chen, Yu-Sheng","Light-Induced Macroscopic Peeling of Single Crystal Driven by Photoisomeric Nano-Optical Switching","Chemistry of Materials","2019","31","13","4927","","10.1021/acs.chemmater.9b01738","","","0.41328","synchrotron","","0.0831","0.0553","","","0.1269","0.1452","","","","","","1.028","","","","has coordinates,has disorder","220438","2020-10-21","18:00:00",""
"4003016","10.3676","0.0002","5.99871","0.00012","4.71309","0.00009","90","","90","","90","","293.118","0.01","293","","293","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Fe1.055 Li0.945 O4 P0.837 -","- Fe1.068 Li0.93201 O4 P0.841 -","- Fe4.272 Li3.72804 O16 P3.364 -","4","1","","Sumanov, Vasily D.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor; Sobolev, Alexey V.; Glazkova, Iana; Tsirlin, Alexander A.; Rupasov, Dmitry; Senyshyn, Anatoliy; Kolesnik, Irina V.; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","“Hydrotriphylites” Li1‒xFe1+x(PO4)1‒y(OH)4y as Cathode Materials for Li-ion Batteries","Chemistry of Materials","2019","31","14","5035","","10.1021/acs.chemmater.9b00627","powder diffraction","neutron","1.54733","neutron","","0.0277","0.0277","","0.0368","0.0368","","","","1.64","","","","","","","has coordinates","220439","2020-10-21","18:00:00",""
"4003017","10.3385","0.0002","5.99521","0.00013","4.70108","0.0001","90","","90","","90","","291.38","0.01","293","","293","","","","","","","","","4","P 21 m a","P -2a 2a","26","","","","- Fe1.035 Li0.965 O4 P0.905 -","- Fe1.0354 Li0.96503 O4 P0.906 -","- Fe4.1416 Li3.86012 O16 P3.624 -","4","1","","Sumanov, Vasily D.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor; Sobolev, Alexey V.; Glazkova, Iana; Tsirlin, Alexander A.; Rupasov, Dmitry; Senyshyn, Anatoliy; Kolesnik, Irina V.; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","“Hydrotriphylites” Li1‒xFe1+x(PO4)1‒y(OH)4y as Cathode Materials for Li-ion Batteries","Chemistry of Materials","2019","31","14","5035","","10.1021/acs.chemmater.9b00627","powder diffraction","neutron","1.5472","neutron","","0.018","0.0179","","0.0267","0.0267","","","","1.52","","","","","","","has coordinates","220440","2020-10-21","18:00:00",""
"4003018","43.611","0.003","7.3973","0.0005","7.1455","0.0005","90","","96.283","0.004","90","","2291.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Organic compound","","","- C28 H6 F10 O2 S2 -","- C28 H6 F10 O2 S2 -","- C112 H24 F40 O8 S8 -","4","0.5","","Usta, Hakan; Kim, Dojeon; Ozdemir, Resul; Zorlu, Yunus; Kim, Sanghyo; Ruiz Delgado, M. Carmen; Harbuzaru, Alexandra; Kim, Seonhyoung; Demirel, Gökhan; Hong, Jongin; Ha, Young-Geun; Cho, Kilwon; Facchetti, Antonio; Kim, Myung-Gil","High Electron Mobility in [1]Benzothieno[3,2-b][1]benzothiophene-Based Field-Effect Transistors: Toward n-Type BTBTs","Chemistry of Materials","2019","31","14","5254","","10.1021/acs.chemmater.9b01614","","","0.71073","MoKα","","0.0488","0.0391","","","0.0986","0.104","","","","","","1.035","","","","has coordinates","220441","2020-10-21","18:00:00",""
"4003019","5.564","0.003","5.564","0.003","5.564","0.003","90","","90","","90","","172.25","0.16","180","2","180","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Mn0.1 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0516","0.0516","","","0.1392","0.1392","","","","","","1.256","","","","has coordinates,has disorder","220442","2020-10-21","18:00:00",""
"4003020","5.5377","0.0007","5.5377","0.0007","5.5377","0.0007","90","","90","","90","","169.82","0.04","230","2","230","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Mn0.1 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0193","0.0193","","","0.0489","0.0489","","","","","","1.188","","","","has coordinates,has disorder","220442","2020-10-21","18:00:00",""
"4003021","5.5519","0.0008","5.5519","0.0008","5.5519","0.0008","90","","90","","90","","171.13","0.04","300","2","300","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs Mn0.1 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","- Cl3 Cs Mn0.0998 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0173","0.0173","","","0.0431","0.0431","","","","","","1.272","","","","has coordinates,has disorder","220442","2020-10-21","18:00:00",""
"4003022","5.507","0.002","5.507","0.002","5.507","0.002","90","","90","","90","","167.01","0.11","180","2","179.97","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs In0.07 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0657","0.0588","","","0.166","0.1753","","","","","","1.2","","","","has coordinates,has disorder","220443","2020-10-21","18:00:00",""
"4003023","5.5382","0.0011","5.5382","0.0011","5.5382","0.0011","90","","90","","90","","169.87","0.06","230","2","229.97","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs In0.07 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0297","0.0297","","","0.059","0.059","","","","","","1.318","","","","has coordinates,has disorder","220443","2020-10-21","18:00:00",""
"4003024","5.5592","0.0009","5.5592","0.0009","5.5592","0.0009","90","","90","","90","","171.81","0.05","298","2","298.03","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Cl3 Cs In0.07 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","- Cl3 Cs In0.0672 Sn0.9 -","1","0.0208333","","Wu, Ziyan; Zhang, Qiqi; Li, Binghan; Shi, Zhifang; Xu, Kaimin; Chen, Yi; Ning, Zhijun; Mi, Qixi","Stabilizing the CsSnCl3 Perovskite Lattice by B-Site Substitution for Enhanced Light Emission","Chemistry of Materials","2019","31","14","4999","","10.1021/acs.chemmater.9b00433","","","0.71073","MoKα","","0.0162","0.0162","","","0.0342","0.0342","","","","","","1.31","","","","has coordinates,has disorder","220443","2020-10-21","18:00:00",""
"4003025","8.2432","0.0017","8.2432","0.0017","10.021","0.002","90","","90","","120","","589.7","0.2","293","2","293","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi2 Cl3 Cs3 I6 -","- Bi2 Cl3 Cs3 I6 -","- Bi2 Cl3 Cs3 I6 -","1","0.0833333","","McCall, Kyle M.; Stoumpos, Constantinos C.; Kontsevoi, Oleg Y.; Alexander, Grant C. B.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","From 0D Cs3Bi2I9 to 2D Cs3Bi2I6Cl3: Dimensional Expansion Induces a Direct Band Gap but Enhances Electron‒Phonon Coupling","Chemistry of Materials","2019","31","7","2644","","10.1021/acs.chemmater.9b00636","","","0.71073","MoKα","","0.0459","0.0426","","","0.1206","0.1242","","","","","","1.16","","","","has coordinates","220444","2020-10-21","18:00:00",""
"4003026","6.54","0.006","6.54","0.006","12.214","0.011","90","","90","","90","","522.4","0.8","297","2","297","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Ba Be20 N14 -","- Ba Be20 N14 -","- Ba2 Be40 N28 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0274","0.0271","","","0.058","0.0581","","","","","","1.082","","","","has coordinates","220445","2020-10-21","18:00:00",""
"4003027","6.5241","0.0008","6.5241","0.0008","12.1357","0.0017","90","","90","","90","","516.54","0.12","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","","","","- Be20 Eu N14 -","- Be20 Eu N14 -","- Be40 Eu2 N28 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0161","0.016","","","0.032","0.032","","","","","","1.122","","","","has coordinates","220446","2020-10-21","18:00:00",""
"4003028","6.525","0.002","6.525","0.002","12.133","0.004","90","","90","","90","","516.6","0.3","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","SrBe20N14","","","- Be20 N14 Sr -","- Be20 N14 Sr -","- Be40 N28 Sr2 -","2","0.125","","Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence","Chemistry of Materials","2019","31","9","3174","","10.1021/acs.chemmater.8b05133","","","0.71073","MoKα","","0.0409","0.0324","","","0.052","0.0542","","","","","","1.126","","","","has coordinates","220447","2020-10-21","18:00:00",""
"4003029","5.4475","0.0001","5.4475","0.0001","5.4475","0.0001","90","","90","","90","","161.656","0.005","100","2","100","2","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","","","- Ni P2 -","- Ni P2 -","- Ni4 P8 -","4","0.166667","","Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill","NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials","Chemistry of Materials","2019","31","9","3407","","10.1021/acs.chemmater.9b00565","","","0.71073","MoKα","","0.0214","0.0189","","","0.0393","0.0401","","","","","","1.223","","","","has coordinates","220448","2020-10-21","18:00:00",""
"4003030","6.3742","0.0003","5.6156","0.0003","5.6288","0.0003","90","","119.628","0.002","90","","175.139","0.016","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Ni P2 -","- Ni P2 -","- Ni4 P8 -","4","0.5","","Owens-Baird, Bryan; Xu, Junyuan; Petrovykh, Dmitri Y.; Bondarchuk, Oleksandr; Ziouani, Yasmine; González-Ballesteros, Noelia; Yox, Philip; Sapountzi, Foteini M.; Niemantsverdriet, Hans; Kolen’ko, Yury V.; Kovnir, Kirill","NiP2: A Story of Two Divergent Polymorphic Multifunctional Materials","Chemistry of Materials","2019","31","9","3407","","10.1021/acs.chemmater.9b00565","","","0.71073","MoKα","","0.0184","0.0179","","","0.0392","0.0394","","","","","","1.228","","","","has coordinates","220449","2020-10-21","18:00:00",""
"4003031","6.1145","0.0001","28.731","0.0005","8.9259","0.0002","90","","91.487","0.002","90","","1567.54","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Br4 N2 O2 Pb -","- C6 H18 Br4 N2 O2 Pb -","- C24 H72 Br16 N8 O8 Pb4 -","4","1","","Zhou, Guojun; Jiang, Xingxing; Molokeev, Maxim; Lin, Zheshuai; Zhao, Jing; Wang, Jing; Xia, Zhiguo","Optically Modulated Ultra-Broad-Band Warm White Emission in Mn2±Doped (C6H18N2O2)PbBr4 Hybrid Metal Halide Phosphor","Chemistry of Materials","2019","31","15","5788","","10.1021/acs.chemmater.9b01864","","x-ray","1.54184","CuKα","","0.0239","0.0226","","","0.0587","0.0596","","","","","","1.063","","","","has coordinates","273129","2022-02-23","10:11:32",""
"4003032","24.4853","0.0011","42.1654","0.0014","17.1403","0.0006","90","","90","","90","","17696.2","1.2","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","LIFM-114-Ethanol","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54178","CuKα","","0.0958","0.0706","","","0.1983","0.2197","","","","","","1.066","","","","has coordinates,has disorder","220451","2020-10-21","18:00:00",""
"4003033","16.1063","0.0007","28.5501","0.0008","40.9518","0.0009","90","","90","","90","","18831.1","1.1","150","2","150","2","","","","","","","","4","F m m m","-F 2 2","69","LIFM-114-Water","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0772","0.073","","","0.1992","0.2035","","","","","","1.042","","","","has coordinates,has disorder","220452","2020-10-21","18:00:00",""
"4003034","21.4419","0.0008","42.3169","0.001","17.9262","0.0005","90","","90","","90","","16265.4","0.8","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-DCM","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1428","0.1295","","","0.3874","0.4043","","","","","","1.692","","","","has coordinates,has disorder","220453","2020-10-21","18:00:00",""
"4003035","16.0688","0.0007","28.8004","0.0015","41.0306","0.0017","90","","90","","90","","18988.5","1.5","150","2","150","2","","","","","","","","4","F m m m","-F 2 2","69","LIFM-114","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.125","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0474","0.0444","","","0.1427","0.1457","","","","","","1.13","","","","has coordinates,has disorder","220454","2020-10-21","18:00:00",""
"4003036","21.1937","0.0018","42.4945","0.0015","17.8951","0.0006","90","","90","","90","","16116.6","1.6","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-Acetone","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1278","0.1175","","","0.3434","0.3607","","","","","","1.609","","","","has coordinates,has disorder","220455","2020-10-21","18:00:00",""
"4003037","25.7916","0.0015","41.7841","0.0011","16.8545","0.0004","90","","90","","90","","18163.7","1.2","149.99","0.1","149.99","0.1","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-40C","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54178","CuKα","","0.1232","0.1139","","","0.3225","0.3333","","","","","","1.078","","","","has coordinates,has disorder","220456","2020-10-21","18:00:00",""
"4003038","26.6952","0.0015","41.2943","0.0011","16.8339","0.0006","90","","90","","90","","18557","1.3","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","LIFM-114-Toluene","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.0962","0.0808","","","0.2438","0.2535","","","","","","1.065","","","","has coordinates,has disorder","220457","2020-10-21","18:00:00",""
"4003039","20.557","0.002","42.7525","0.0017","17.8758","0.0007","90","","90","","90","","15710.4","1.8","150","2","150","2","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-Ether","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1492","0.1298","","","0.3497","0.3751","","","","","","1.545","","","","has coordinates,has disorder","220458","2020-10-21","18:00:00",""
"4003040","21.0637","0.0007","42.3687","0.0011","18.0144","0.0004","90","","90","","90","","16076.8","0.8","150","0.1","150","0.1","","","","","","","","4","C m m m","-C 2 2","65","LIFM-114-80C","","","- C108 H64 O32 Zr6 -","- C108 H64 O32 Zr6 -","- C432 H256 O128 Zr24 -","4","0.25","","Chen, Cheng-Xia; Wei, Zhang-Wen; Cao, Chen-Chen; Yin, Shao-Yun; Qiu, Qian-Feng; Zhu, Neng-Xiu; Xiong, Yang-Yang; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","All Roads Lead to Rome: Tuning the Luminescence of a Breathing Catenated Zr-MOF by Programmable Multiplexing Pathways","Chemistry of Materials","2019","31","15","5550","","10.1021/acs.chemmater.9b01258","","x-ray","1.54184","CuKα","","0.1524","0.136","","","0.3562","0.3721","","","","","","1","","","","has coordinates,has disorder","220459","2020-10-21","18:00:00",""
"4003041","8.0335","0.0016","13.03","0.003","18.499","0.004","103.47","0.03","97.48","0.03","105.21","0.03","1779","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.56 H1.94 N0.22 O0.22 -","- C2.55556 H2 N0.222222 O0.222222 -","- C92 H72 N8 O8 -","36","18","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.1305","0.084","","","0.1669","0.1854","","","","","","1.168","","","","has coordinates","220460","2020-10-21","18:00:00",""
"4003042","9.362","0.002","11.627","0.003","15.805","0.004","90","","90","","90","","1720.4","0.7","296","2","296.31","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.0595","0.043","","","0.1003","0.1086","","","","","","1.028","","","","has coordinates","220461","2020-10-21","18:00:00",""
"4003043","16.771","0.003","13.662","0.002","8.2368","0.0013","90","","90","","90","","1887.3","0.5","298","2","297.89","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.0392","0.0358","","","0.0847","0.0866","","","","","","1.094","","","","has coordinates","220462","2020-10-21","18:00:00",""
"4003044","16.813","0.003","7.4763","0.0015","31.999","0.006","90","","90","","90","","4022.2","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C200 H176 N16 O16 -","8","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.1006","0.0519","","","0.1192","0.1495","","","","","","1.091","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4003045","6.93886","0.00014","8.694","0.0002","12.4532","0.0003","88.911","0.002","87.481","0.002","68.358","0.002","697.62","0.03","295","","295","","","","","","","","","4","P -1","-P 1","2","","tetra-aqua-(2,5-dihydroxyterephthalato)-cobalt dihydrate","","- C8 H16 Co O12 -","- C8 H16 Co O12 -","- C16 H32 Co2 O24 -","2","1","","Ayoub, Ghada; Karadeniz, Bahar; Howarth, Ashlee J.; Farha, Omar K.; Đilović, Ivica; Germann, Luzia S.; Dinnebier, Robert E.; Užarević, Krunoslav; Friščić, Tomislav","Rational Synthesis of Mixed-Metal Microporous Metal‒Organic Frameworks with Controlled Composition Using Mechanochemistry","Chemistry of Materials","2019","31","15","5494","","10.1021/acs.chemmater.9b01068","powder diffraction","","0.7093","MoKα~1~","","1.24","","","","","","","","2.7","","","","","","","has coordinates","220464","2020-10-21","18:00:00",""
"4003046","6.9497","0.0005","8.6455","0.0005","12.4065","0.0009","89.144","0.005","87.701","0.006","67.707","0.006","689.16","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 Ni O12 -","- C8 H16 Ni O12 -","- C16 H32 Ni2 O24 -","2","1","","Ayoub, Ghada; Karadeniz, Bahar; Howarth, Ashlee J.; Farha, Omar K.; Đilović, Ivica; Germann, Luzia S.; Dinnebier, Robert E.; Užarević, Krunoslav; Friščić, Tomislav","Rational Synthesis of Mixed-Metal Microporous Metal‒Organic Frameworks with Controlled Composition Using Mechanochemistry","Chemistry of Materials","2019","31","15","5494","","10.1021/acs.chemmater.9b01068","","","1.54184","CuKα","","0.0548","0.0494","","","0.1289","0.1355","","","","","","1.062","","","","has coordinates","220465","2020-10-21","18:00:00",""
"4003047","4.618","0.006","12.47","0.017","15.1","0.02","89.59","0.02","82.08","0.02","83.28","0.02","855","2","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H19 I3 N2 O Pb -","- C7 H19 I3 N2 O Pb -","- C14 H38 I6 N4 O2 Pb2 -","2","1","","Dahlman, Clayton J.; DeCrescent, Ryan A.; Venkatesan, Naveen R.; Kennard, Rhys M.; Wu, Guang; Everest, Michael A.; Schuller, Jon A.; Chabinyc, Michael L.","Controlling Solvate Intermediate Growth for Phase-Pure Organic Lead Iodide Ruddlesden‒Popper (C4H9NH3)2(CH3NH3)n−1PbnI3n+1 Perovskite Thin Films","Chemistry of Materials","2019","31","15","5832","","10.1021/acs.chemmater.9b01952","","","0.71073","MoKα","","0.1146","0.0492","","","0.0739","0.0856","","","","","","0.874","","","","has coordinates","220466","2020-10-21","18:00:00",""
"4003048","4.5723","0.0002","25.3424","0.0011","12.1782","0.0005","90","","96.075","0.003","90","","1403.2","0.1","260","2","260","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 I3 N2 O Pb -","- C4 H13 I3 N2 O Pb -","- C16 H52 I12 N8 O4 Pb4 -","4","1","","Dahlman, Clayton J.; DeCrescent, Ryan A.; Venkatesan, Naveen R.; Kennard, Rhys M.; Wu, Guang; Everest, Michael A.; Schuller, Jon A.; Chabinyc, Michael L.","Controlling Solvate Intermediate Growth for Phase-Pure Organic Lead Iodide Ruddlesden‒Popper (C4H9NH3)2(CH3NH3)n−1PbnI3n+1 Perovskite Thin Films","Chemistry of Materials","2019","31","15","5832","","10.1021/acs.chemmater.9b01952","","","0.71073","MoKα","","0.1267","0.074","","","0.1674","0.1898","","","","","","1.043","","","","has coordinates","220467","2020-10-21","18:00:00",""
"4003049","18.3099","0.0004","10.9142","0.0003","8.4635","0.0002","90","","90","","90","","1691.33","0.07","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H14 Bi I5 N2 -","- C4 H14 Bi I5 N2 -","- C16 H56 Bi4 I20 N8 -","4","1","","Tao, Kewen; Li, Yaobin; Ji, Chengmin; Liu, Xitao; Wu, Zhenyue; Han, Shiguo; Sun, Zhihua; Luo, Junhua","A Lead-Free Hybrid Iodide with Quantitative Response to X-ray Radiation","Chemistry of Materials","2019","31","15","5927","","10.1021/acs.chemmater.9b02263","","","0.71073","MoKα","","0.0704","0.0664","","","0.1737","0.1775","","","","","","1.094","","","","has coordinates","220468","2020-10-21","18:00:00",""
"4003050","7.819","0.003","6.147","0.003","6.133","0.002","105.28","0.04","103.21","0.05","96.37","0.05","272.2","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- O7 P2 V -","- O7 P2 V -","- O14 P4 V2 -","2","1","","Drozhzhin, Oleg A.; Tertov, Ilya V.; Alekseeva, Anastasia M.; Aksyonov, Dmitry A.; Stevenson, Keith J.; Abakumov, Artem M.; Antipov, Evgeny V.","β-NaVP2O7 as a Superior Electrode Material for Na-Ion Batteries","Chemistry of Materials","2019","31","18","7463","","10.1021/acs.chemmater.9b02124","powder diffraction","x-ray","1.5406","CuKa1","","0.052","0.052","","0.0763","0.0763","","","","12.51","","","","","","","has coordinates","220469","2020-10-21","18:00:00",""
"4003051","7.1142","0.0007","10.0709","0.0007","8.0816","0.0006","90","","109.091","0.009","90","","547.17","0.08","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Na O7 P2 V -","- Na O7 P2 V -","- Na4 O28 P8 V4 -","4","1","","Drozhzhin, Oleg A.; Tertov, Ilya V.; Alekseeva, Anastasia M.; Aksyonov, Dmitry A.; Stevenson, Keith J.; Abakumov, Artem M.; Antipov, Evgeny V.","β-NaVP2O7 as a Superior Electrode Material for Na-Ion Batteries","Chemistry of Materials","2019","31","18","7463","","10.1021/acs.chemmater.9b02124","powder diffraction","x-ray","1.54056","CuKa1","","0.0222","0.0222","","0.0315","0.0315","","","","2.76","","","","","","","has coordinates","220470","2020-10-21","18:00:00",""
"4003052","13.3591","0.0019","13.3591","0.0019","42.446","0.005","90","","90","","90","","7575.1","1.8","100","2","100.01","","","","","","","","","5","I 4/m","-I 4","87","","PFC-17","","- C11.75 H11.75 N11.75 O11.75 Zn11.75 -","- C20 H12 N9 O4 Zn2 -","- C160 H96 N72 O32 Zn16 -","8","0.5","","Li, Lan; Yi, Jun-Dong; Fang, Zhi-Bin; Wang, Xu-Sheng; Liu, Nan; Chen, Ya-Nan; Liu, Tian-Fu; Cao, Rong","Creating Giant Secondary Building Layers via Alkali-Etching Exfoliation for Precise Synthesis of Metal‒Organic Frameworks","Chemistry of Materials","2019","31","18","7584","","10.1021/acs.chemmater.9b02375","","","0.71073","MoKα","","0.0898","0.0846","","","0.214","0.217","","","","","","1.08","","","","has coordinates","220471","2020-10-21","18:00:00",""
"4003053","10.49049","0.00013","10.56034","0.00009","10.50156","0.00013","90","","90","","90","","1163.4","0.02","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","Cd2Nb2O6.75S0.25","- Cd Nb O3.39 S0.11 -","- Cd Nb O3.39 S0.11 -","- Cd16 Nb16 O54.24 S1.76 -","16","1","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","2.05","","","","","","","has coordinates","220472","2020-10-21","18:00:00",""
"4003054","10.373405","0.000002","10.373405","0.000002","10.373405","0.000002","90","","90","","90","","1116.26","0.0004","340","","340","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Cd2Nb2O7","- Cd0.98 Nb O3.45 -","- Cd0.9785 Nb O3.447 -","- Cd15.656 Nb16 O55.152 -","16","0.0833333","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.02","","","","","","","has coordinates","220473","2020-10-21","18:00:00",""
"4003055","7.47367","0.00004","7.473783","0.000034","10.56693","0.00004","90","","90","","90","","590.233","0.005","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Cd2Nb2O6.3S0.7","- Cd Nb O3.14 S0.36 -","- Cd Nb O3.14 S0.36 -","- Cd8 Nb8 O25.12 S2.88 -","8","2","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.99","","","","","","","has coordinates","220474","2020-10-21","18:00:00",""
"4003056","10.570977","0.000003","10.570977","0.000003","10.570977","0.000003","90","","90","","90","","1181.26","0.0006","440","","440","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cd2Nb2O6.3S0.7","- Cd Nb O3.14 S0.36 -","- Cd Nb O3.1405 S0.3595 -","- Cd16 Nb16 O50.248 S5.752 -","16","0.0833333","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.12","","","","","","","has coordinates","220475","2020-10-21","18:00:00",""
"4003057","10.521513","0.000008","10.521513","0.000008","10.521513","0.000008","90","","90","","90","","1164.76","0.0015","340","","340","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cd2Nb2O6.75S0.25","- Cd Nb O3.39 S0.11 -","- Cd Nb O3.3935 S0.106 -","- Cd16 Nb16 O54.296 S1.696 -","16","0.0833333","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.3","","","","","","","has coordinates","220476","2020-10-21","18:00:00",""
"4003058","7.320662","0.000007","10.370384","0.000012","7.330492","0.000009","90","","90","","90","","556.517","0.0011","100","","100","","","","","","","","","3","I m a 2","I 2 -2a","46","","","Cd2Nb2O7","- Cd0.98 Nb O3.45 -","- Cd0.98 Nb O3.45 -","- Cd7.84 Nb8 O27.6 -","8","1","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.09","","","","","","","has coordinates","220477","2020-10-21","18:00:00",""
"4003059","39.768","0.004","39.768","0.004","11.9155","0.0013","90","","90","","120","","16320","3","100","","100","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C17.12 H8 Br Hf1.5 O8 -","- C17.125 H8 Br Hf1.5 O8 -","- C205.5 H96 Br12 Hf18 O96 -","12","0.5","","Lyu, Jiafei; Zhang, Xuan; Li, Peng; Wang, Xingjie; Buru, Cassandra T.; Bai, Peng; Guo, Xianghai; Farha, Omar K.","Exploring the Role of Hexanuclear Clusters as Lewis Acidic Sites in Isostructural Metal‒Organic Frameworks","Chemistry of Materials","2019","31","11","4166","","10.1021/acs.chemmater.9b00960","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0838","0.0864","","","","","","1.066","","","","has coordinates,has disorder","220478","2020-10-21","18:00:00",""
"4003060","15.3654","0.0011","8.2286","0.0006","19.8784","0.0016","90","","98.196","0.003","90","","2487.7","0.3","90","0.2","90","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 B F4 N O6 S -","- C24 H33 B F4 N O6 S -","- C96 H132 B4 F16 N4 O24 S4 -","4","1","","Attanayake, N. Harsha; Kowalski, Jeffrey A.; Greco, Katharine V.; Casselman, Matthew D.; Milshtein, Jarrod D.; Chapman, Steven J.; Parkin, Sean R.; Brushett, Fikile R.; Odom, Susan A.","Tailoring Two-Electron-Donating Phenothiazines To Enable High-Concentration Redox Electrolytes for Use in Nonaqueous Redox Flow Batteries","Chemistry of Materials","2019","31","12","4353","","10.1021/acs.chemmater.8b04770","","","0.71073","MoKα","","0.0365","0.0332","","","0.0853","0.0877","","","","","","1.034","","","","has coordinates","220479","2020-10-21","18:00:00",""
"4003061","4.4848","0.0006","9.8986","0.0013","20.4187","0.0007","90","","131.157","0.006","90","","682.48","0.14","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N5 O2 -","- C6 H5 N5 O2 -","- C24 H20 N20 O8 -","4","1","","Hirsch, Anna; Palmer, Benjamin A.; Ramasubramaniam, Ashwin; Williams, P. Andrew; Harris, Kenneth D. M.; Pokroy, Boaz; Weiner, Steve; Addadi, Lia; Leiserowitz, Leslie; Kronik, Leeor","Structure and Morphology of Light-Reflecting Synthetic and Biogenic Polymorphs of Isoxanthopterin: A Comparison","Chemistry of Materials","2019","31","12","4479","","10.1021/acs.chemmater.9b01039","powder diffraction","x-ray","1.5406","","","","","","","","","0.34554","","1.13","","","","","","","has coordinates","220480","2020-10-21","18:00:00",""
"4003062","5.1316","0.0007","5.4889","0.0008","10.9666","0.0012","81.345","0.011","80.683","0.01","77.455","0.012","295.4","0.07","275","","275","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1313","0.0556","","0.0269","0.0248","0.0248","","","","","","0.9986","","","","has coordinates","220481","2020-10-21","18:00:00",""
"4003063","4.8906","0.0005","5.7517","0.0005","10.8475","0.0009","81.785","0.007","81.137","0.008","77.49","0.008","292.43","0.05","230","","230","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1333","0.0645","","0.1371","0.1249","0.1249","","","","","","0.9998","","","","has coordinates","220482","2020-10-21","18:00:00",""
"4003064","4.7821","0.0005","5.8258","0.0006","10.7018","0.001","81.926","0.008","81.568","0.008","76.993","0.008","285.57","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1078","0.076","","0.1978","0.1836","0.1836","","","","","","1","","","","has coordinates","220483","2020-10-21","18:00:00",""
"4003065","4.9887","0.0004","5.635","0.0005","10.9175","0.0008","81.612","0.006","80.726","0.006","77.499","0.007","293.74","0.04","250","","250","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1065","0.0549","","0.0659","0.0516","0.0516","","","","","","1","","","","has coordinates","220484","2020-10-21","18:00:00",""
"4003066","8.2924","0.0005","6.6543","0.0005","10.9934","0.0006","90","","101.594","0.006","90","","594.24","0.07","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C20 H12 Cl4 N4 O8 -","2","0.25","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1006","0.0511","","0.0168","0.0158","0.0158","","","","","","0.9993","","","","has coordinates","220485","2020-10-21","18:00:00",""
"4003067","4.8242","0.0003","5.8096","0.0003","10.7703","0.0006","81.848","0.005","81.421","0.005","77.317","0.005","289.33","0.03","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","- C10 H6 Cl2 N2 O4 -","1","0.5","","Liu, Huiyu; Gutmann, Matthias J.; Stokes, Harold T.; Campbell, Branton J.; Evans, Ivana Radosavljevic; Evans, John S. O.","Supercolossal Uniaxial Negative Thermal Expansion in Chloranilic Acid Pyrazine, CA-Pyz","Chemistry of Materials","2019","31","12","4514","","10.1021/acs.chemmater.9b01135","","","0.71073","MoKα","","0.1184","0.0758","","0.1801","0.171","0.171","","","","","","1","","","","has coordinates","220486","2020-10-21","18:00:00",""
"4003068","9.8897","0.001","31.038","0.003","9.657","0.0009","90","","90","","90","","2964.3","0.5","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H40 Br4 Cd N2 -","- C24 H40 Br4 Cd N2 -","- C96 H160 Br16 Cd4 N8 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0694","0.0573","","","0.1363","0.1454","","","","","","1.051","","","","has coordinates","220487","2020-10-21","18:00:00",""
"4003069","9.675","0.002","9.911","0.002","16.382","0.004","94.071","0.006","104.294","0.006","115.155","0.005","1349.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Br4 Cd N2 -","- C22 H36 Br4 Cd N2 -","- C44 H72 Br8 Cd2 N4 -","2","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0556","0.0452","","","0.1147","0.1258","","","","","","1.047","","","","has coordinates","220488","2020-10-21","18:00:00",""
"4003070","9.554","0.004","9.071","0.004","15.206","0.006","90","","94.369","0.013","90","","1314","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H32 Br4 Cd N2 -","- C20 H32 Br4 Cd N2 -","- C40 H64 Br8 Cd2 N4 -","2","1","","Deswal, Swati; Singh, Sachin Kumar; Rambabu, P.; Kulkarni, Priyangi; Vaitheeswaran, G.; Praveenkumar, B.; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Flexible Composite Energy Harvesters from Ferroelectric A2MX4-Type Hybrid Halogenometallates","Chemistry of Materials","2019","31","12","4545","","10.1021/acs.chemmater.9b01227","","","0.71073","MoKα","","0.0728","0.0604","","","0.1342","0.1392","","","","","","1.008","","","","has coordinates","220489","2020-10-21","18:00:00",""
"4003071","27.016","0.004","27.016","0.004","17.719","0.004","90","","90","","120","","11200","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C156 H220 I7 In9 N24 O66 -","- C87 H36 I7.02 In9 N6 O44.98 -","- C174 H72 I14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.0519","0.039","","","0.1119","0.1165","","","","","","1.053","","","","has coordinates,has disorder","220490","2020-10-21","18:00:00",""
"4003072","26.835","0.004","26.835","0.004","17.863","0.004","90","","90","","120","","11140","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C144 H193 Cl7 In9 N21 O63 -","- C84 H36 Cl7.02 In9 N6 O44.98 -","- C168 H72 Cl14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.1298","0.1074","","","0.2842","0.2986","","","","","","1.036","","","","has coordinates,has disorder","220491","2020-10-21","18:00:00",""
"4003073","26.945","0.004","26.945","0.004","17.792","0.004","90","","90","","120","","11187","3","293","2","293","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C144 H193 Br7 In9 N21 O63 -","- C84 H36 Br7.02 In9 N6 O44.98 -","- C168 H72 Br14.04 In18 N12 O89.96 -","2","0.166667","","Yuan, Yang; Li, Jiantang; Sun, Xiaodong; Li, Guanghua; Liu, Yunling; Verma, Gaurav; Ma, Shengqian","Indium‒Organic Frameworks Based on Dual Secondary Building Units Featuring Halogen-Decorated Channels for Highly Effective CO2 Fixation","Chemistry of Materials","2019","31","3","1084","","10.1021/acs.chemmater.8b04792","","","0.71073","MoKα","","0.0623","0.0519","","","0.1371","0.1413","","","","","","1.097","","","","has coordinates,has disorder","220492","2020-10-21","18:00:00",""
"4003074","12.1135","0.0003","3.83754","0.00009","5.2749","0.0002","90","","100.909","0.003","90","","240.778","0.013","295","","295","","","","14100000","","","","","2","C 1 2/m 1","-C 2y","12","","","NiBi2","- Bi2 Ni -","- Bi2 Ni -","- Bi8 Ni4 -","4","0.5","","Clarke, Samantha M.; Powderly, Kelly M.; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna E.","Controlling Dimensionality in the Ni‒Bi System with Pressure","Chemistry of Materials","2019","31","3","955","","10.1021/acs.chemmater.8b04412","powder diffraction","","0.4066","","","1.45","","","","","","","","0.4","","","","","","","has coordinates","220493","2020-10-21","18:00:00",""
"4003075","12.80484","0.00004","4.04053","0.000012","5.51174","0.00002","90","","100.988","0.0003","90","","279.94","0.0016","100","","100","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","NiBi2","- Bi2 Ni -","- Bi2 Ni -","- Bi8 Ni4 -","4","0.5","","Clarke, Samantha M.; Powderly, Kelly M.; Walsh, James P. S.; Yu, Tony; Wang, Yanbin; Meng, Yue; Jacobsen, Steven D.; Freedman, Danna E.","Controlling Dimensionality in the Ni‒Bi System with Pressure","Chemistry of Materials","2019","31","3","955","","10.1021/acs.chemmater.8b04412","powder diffraction","","0.412717","","","1.45","","","","","","","","0.4","","","","","","","has coordinates","220494","2020-10-21","18:00:00",""
"4003076","6.3354","0.0003","19.8007","0.0009","12.5707","0.0005","90","","90.757","0.002","90","","1576.8","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","shs244m","","","- C7 H12 I4 N2 Pb -","- C7 H12 I4 N2 Pb -","- C28 H48 I16 N8 Pb4 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0309","0.0298","","","0.0801","0.0806","","","","","","1.294","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003077","12.3353","0.0002","12.2206","0.0003","32.2371","0.0008","90","","94.296","0.001","90","","4845.92","0.19","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H45 I8 N4 Pb2 -","- C32 H45 I8 N4 Pb2 -","- C128 H180 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0395","0.0388","","","0.1038","0.1045","","","","","","1.125","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003078","8.8952","0.0002","19.7237","0.0005","8.925","0.0002","90","","92.2131","0.0007","90","","1564.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H9 I4 N3 Pb -","- C5 H9 I4 N3 Pb -","- C20 H36 I16 N12 Pb4 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.031","0.03","","","0.0717","0.0721","","","","","","1.224","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003079","12.6656","0.0003","20.5236","0.0005","12.8846","0.0003","90","","94.6417","0.0007","90","","3338.29","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","je328m","","","- C14 H34 I8 N4 Pb2 -","- C14 H34 I8 N4 Pb2 -","- C56 H136 I32 N16 Pb8 -","4","1","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0317","0.0244","","","0.053","0.0571","","","","","","1.034","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003080","12.4948","0.0003","19.7152","0.0004","12.5841","0.0003","90","","96.4396","0.0008","90","","3080.38","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 I4 N3 Pb -","- C5 H11 I4 N3 Pb -","- C40 H88 I32 N24 Pb8 -","8","2","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0395","0.0267","","","0.0451","0.0494","","","","","","1.097","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003081","20.6609","0.0006","8.9123","0.0003","22.7613","0.0006","90","","115.758","0.001","90","","3774.7","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 I10 N6 O2 Pb3 -","- C10 H24 I10 N6 O2 Pb3 -","- C40 H96 I40 N24 O8 Pb12 -","4","0.5","","Febriansyah, Benny; Koh, Teck Ming; Lekina, Yulia; Jamaludin, Nur Fadilah; Bruno, Annalisa; Ganguly, Rakesh; Shen, Ze Xiang; Mhaisalkar, Subodh G.; England, Jason","Improved Photovoltaic Efficiency and Amplified Photocurrent Generation in Mesoporous n = 1 Two-Dimensional Lead‒Iodide Perovskite Solar Cells","Chemistry of Materials","2019","31","3","890","","10.1021/acs.chemmater.8b04064","","","0.71073","MoKα","","0.0263","0.0221","","","0.0422","0.0437","","","","","","1.111","","","","has coordinates","220495","2020-10-21","18:00:00",""
"4003082","10.86215","0.00015","11.41095","0.00011","17.09812","0.00016","84.6203","0.0005","75.4586","0.0008","84.3682","0.0009","2036.22","0.04","298","","298","","","","","","","","see text","6","P -1","-P 1","2","","","","- C42 H35 Eu N6 O8 S2 -","- C42 H35 Eu N6 O8 S2 -","- C84 H70 Eu2 N12 O16 S4 -","2","1","","Kovalenko, Anton; Rublev, Pavel O.; Tcelykh, Lyubov O.; Goloveshkin, Alexander S.; Lepnev, Leonid S.; Burlov, Anatolii S.; Vashchenko, Andrey A.; Marciniak, Łukasz; Magerramov, Abel M.; Shikhaliyev, Namig G.; Vatsadze, Sergey Z.; Utochnikova, Valentina V.","Lanthanide Complexes with 2-(Tosylamino)-benzylidene-N-(aryloyl)hydrazones: Universal Luminescent Materials","Chemistry of Materials","2019","31","3","759","","10.1021/acs.chemmater.8b03675","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.0032","1.627","","","","","","","has coordinates","220496","2020-10-21","18:00:00",""
"4003083","16.876","0.003","13.357","0.0019","19.197","0.003","90","","108.49","0.003","90","","4103.9","1.1","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 N8 O6.5 S2 Yb -","- C41 H36 N8 O6.5 S2 Yb -","- C164 H144 N32 O26 S8 Yb4 -","4","1","","Kovalenko, Anton; Rublev, Pavel O.; Tcelykh, Lyubov O.; Goloveshkin, Alexander S.; Lepnev, Leonid S.; Burlov, Anatolii S.; Vashchenko, Andrey A.; Marciniak, Łukasz; Magerramov, Abel M.; Shikhaliyev, Namig G.; Vatsadze, Sergey Z.; Utochnikova, Valentina V.","Lanthanide Complexes with 2-(Tosylamino)-benzylidene-N-(aryloyl)hydrazones: Universal Luminescent Materials","Chemistry of Materials","2019","31","3","759","","10.1021/acs.chemmater.8b03675","","","0.71073","MoKα","","0.1273","0.0583","","","0.119","0.1441","","","","","","1.012","","","","has coordinates","220497","2020-10-21","18:00:00",""
"4003084","17.188","0.002","17.188","0.002","11.041","0.002","90","","90","","90","","3261.8","0.8","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","Cesium_Indium_Chloride","","","- Cl3 Cs In -","- Cl3 Cs In -","- Cl60 Cs20 In20 -","20","1.25","","McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04095","","","0.71073","MoKα","","0.1318","0.0977","","","0.3031","0.3318","","","","","","1.197","","","","has coordinates","223366","2020-10-21","18:00:00",""
"4003085","17.8982","0.0006","17.8982","0.0006","11.5351","0.0005","90","","90","","90","","3695.2","0.2","293","2","293","2","","","","","","","","3","I 4/m","-I 4","87","Cesium_Indium_Bromide","","","- Br3 Cs In -","- Br3 Cs In -","- Br60 Cs20 In20 -","20","1.25","","McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04095","","","0.71073","MoKα","","0.1181","0.1001","","","0.2965","0.3163","","","","","","1.089","","","","has coordinates","223367","2020-10-21","18:00:00",""
"4003086","17.0057","0.0003","17.0057","0.0003","11.0266","0.0003","90","","90","","90","","3188.82","0.12","300","2","300","2","","","","","","","","3","I 4/m","-I 4","87","Cesium_Indium_Chloride","","","- Cl3 Cs In -","- Cl3 Cs In -","- Cl60 Cs20 In20 -","20","1.25","","McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04095","","","0.71073","MoKα","","0.0316","0.0287","","","0.075","0.0768","","","","","","1.145","","","","has coordinates","223368","2020-10-21","18:00:00",""
"4003087","9.2542","0.0001","13.6419","0.0002","24.1148","0.0003","90","","90","","90","","3044.37","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Cl5 N2 Sb -","- C26 H44 Cl5 N2 Sb -","- C104 H176 Cl20 N8 Sb4 -","4","1","","Li, Zhongyuan; Li, Ye; Liang, Pei; Zhou, Tianliang; Wang, Le; Xie, Rong-Jun","Dual-Band Luminescent Lead-Free Antimony Chloride Halides with Near-Unity Photoluminescence Quantum Efficiency","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02935","","x-ray","0.71073","MoKα","","0.0232","0.0221","","","0.0433","0.0437","","","","","","1.026","","","","has coordinates","225394","2020-10-21","18:00:00",""
"4003088","12.6371","0.001","13.9398","0.001","14.1728","0.0012","90","","90","","90","","2496.7","0.3","100","0.1","100","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C16 H40 Cl5 N2 Sb -","- C16 H40 Cl5 N2 Sb -","- C64 H160 Cl20 N8 Sb4 -","4","0.5","","Li, Zhongyuan; Li, Ye; Liang, Pei; Zhou, Tianliang; Wang, Le; Xie, Rong-Jun","Dual-Band Luminescent Lead-Free Antimony Chloride Halides with Near-Unity Photoluminescence Quantum Efficiency","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02935","","x-ray","1.54178","CuKα","","0.0773","0.0735","","","0.2018","0.2075","","","","","","1.086","","","","has coordinates,has disorder","225395","2020-10-21","18:00:00",""
"4003089","10.9601","0.0004","13.1817","0.0004","16.0836","0.0004","90","","102.141","0.003","90","","2271.67","0.12","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cu N8 O3 -","- C16 H28 Cu N8 O3 -","- C64 H112 Cu4 N32 O12 -","4","1","","Ji, Li-Jun; Qin, Yan; Gui, Di; Li, Wei; Li, Yanchun; Li, Xiaodong; Lu, Peixiang","Quantifying the Exfoliation Ease Level of 2D Materials via Mechanical Anisotropy","Chemistry of Materials","2018","30","24","8732","","10.1021/acs.chemmater.8b01082","","x-ray","0.71073","MoKα","","0.0614","0.0488","","","0.1185","0.133","","","","","","1.065","","","","has coordinates,has disorder","226199","2020-10-21","18:00:00",""
"4003090","10.1142","0.0006","10.1142","0.0006","4.8988","0.0003","90","","90","","90","","501.13","0.05","295","2","295","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","La2.23Ca1.16Si6N11","","","- Ca1.16 La2.23 N11 Si6 -","- Ca1.18 La2.2144 N11 Si6 -","- Ca2.36 La4.4288 N22 Si12 -","2","0.25","","Maak, Christian; Durach, Dajana; Martiny, Christoph; Schmidt, Peter J.; Schnick, Wolfgang","Narrow-Band Yellow-Orange Emitting La3‒xCa1.5xSi6N11:Eu2+ (x ≈ 0.77): A Promising Phosphor for Next-Generation Amber pcLEDs","Chemistry of Materials","2018","30","10","3552","","10.1021/acs.chemmater.8b01401","","","0.71073","MoKα","","0.0162","0.0162","","","0.0372","0.0372","","","","","","1.176","","","","has coordinates","226200","2020-10-21","18:00:00",""
"4003091","12.4552","0.0009","22.1","0.0015","4.6212","0.0003","90","","90","","90","","1272.03","0.15","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca8.27 La0.73 Mn4 Sb9 -","- Ca8.276 La0.724 Mn4 Sb9 -","- Ca16.552 La1.448 Mn8 Sb18 -","2","0.25","","Wang, Yi; Bobev, Svilen","Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors","Chemistry of Materials","2018","30","10","3518","","10.1021/acs.chemmater.8b01316","","","0.71073","MoKα","","0.0309","0.0241","","","0.0505","0.0531","","","","","","1.043","","","","has coordinates","226201","2020-10-21","18:00:00",""
"4003092","12.4347","0.0006","22.0664","0.001","4.6189","0.0002","90","","90","","90","","1267.38","0.1","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca8.16 Ce0.84 Mn4 Sb9 -","- Ca8.168 Ce0.832 Mn4 Sb9 -","- Ca16.336 Ce1.664 Mn8 Sb18 -","2","0.25","","Wang, Yi; Bobev, Svilen","Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors","Chemistry of Materials","2018","30","10","3518","","10.1021/acs.chemmater.8b01316","","","0.71073","MoKα","","0.0245","0.0205","","","0.0458","0.0473","","","","","","1.102","","","","has coordinates","226201","2020-10-21","18:00:00",""
"4003093","12.4143","0.0011","22.059","0.002","4.6139","0.0004","90","","90","","90","","1263.5","0.19","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca8.15 Mn4 Pr0.85 Sb9 -","- Ca8.156 Mn4 Pr0.844 Sb9 -","- Ca16.312 Mn8 Pr1.688 Sb18 -","2","0.25","","Wang, Yi; Bobev, Svilen","Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors","Chemistry of Materials","2018","30","10","3518","","10.1021/acs.chemmater.8b01316","","","0.71073","MoKα","","0.0359","0.0279","","","0.0576","0.0608","","","","","","1.051","","","","has coordinates","226201","2020-10-21","18:00:00",""
"4003094","12.4062","0.0009","22.0551","0.0015","4.612","0.0003","90","","90","","90","","1261.94","0.15","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca8.11 Mn4 Nd0.89 Sb9 -","- Ca8.132 Mn4 Nd0.868 Sb9 -","- Ca16.264 Mn8 Nd1.736 Sb18 -","2","0.25","","Wang, Yi; Bobev, Svilen","Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors","Chemistry of Materials","2018","30","10","3518","","10.1021/acs.chemmater.8b01316","","","0.71073","MoKα","","0.0288","0.0242","","","0.0532","0.0549","","","","","","1.096","","","","has coordinates","226201","2020-10-21","18:00:00",""
"4003095","12.3883","0.0005","22.0164","0.001","4.6077","0.0002","90","","90","","90","","1256.73","0.09","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca7.88 Mn4 Sb9 Sm1.12 -","- Ca7.873 Mn4 Sb9 Sm1.127 -","- Ca15.746 Mn8 Sb18 Sm2.254 -","2","0.25","","Wang, Yi; Bobev, Svilen","Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors","Chemistry of Materials","2018","30","10","3518","","10.1021/acs.chemmater.8b01316","","","0.71073","MoKα","","0.0287","0.0244","","","0.0535","0.0557","","","","","","1.055","","","","has coordinates","226201","2020-10-21","18:00:00",""
"4003096","10.964","0.0008","10.964","0.0008","24.0838","0.0013","90","","90","","120","","2507.2","0.3","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- B50.96 Sc2.1 -","- B50.958 Sc2.095 -","- B305.748 Sc12.57 -","6","0.166667","","Akopov, Georgiy; Yeung, Michael T.; Roh, Inwhan; Sobell, Zachary C.; Yin, Hang; Mak, Wai H.; Khan, Saeed I.; Kaner, Richard B.","Effects of Dodecaboride-Forming Metals on the Properties of Superhard Tungsten Tetraboride","Chemistry of Materials","2018","30","10","3559","","10.1021/acs.chemmater.8b01464","","","0.71073","MoKα","","0.0416","0.0341","","","0.0906","0.0919","","","","","","1.062","","","","has coordinates","226202","2020-10-21","18:00:00",""
"4003097","10.2458","0.0002","10.2458","0.0002","21.1573","0.0007","90","","90","","90","","2221.02","0.1","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(μ~2~-di-tert-butyldiphosphine-P,P)́-octacarbonyl-di-iron","","- C16 H20 Fe2 O8 P2 -","- C16 H20 Fe2 O8 P2 -","- C64 H80 Fe8 O32 P8 -","4","0.5","","Schipper, Desmond E.; Zhao, Zhenhuan; Thirumalai, Hari; Leitner, Andrew P.; Donaldson, Samantha L.; Kumar, Arvind; Qin, Fan; Wang, Zhiming; Grabow, Lars C.; Bao, Jiming; Whitmire, Kenton H.","Effects of Catalyst Phase on the Hydrogen Evolution Reaction of Water Splitting: Preparation of Phase-Pure Films of FeP, Fe2P, and Fe3P and Their Relative Catalytic Activities","Chemistry of Materials","2018","30","10","3588","","10.1021/acs.chemmater.8b01624","","","0.71073","MoKα","","0.0365","0.0328","","","0.0784","0.0802","","","","","","1.098","","","","has coordinates,has disorder","226203","2020-10-21","18:00:00",""
"4003098","12.8656","0.0009","13.6192","0.0007","15.3699","0.0009","78.844","0.004","82.313","0.005","64.432","0.006","2379.6","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H61 Cl N3 O2 -","- C56 H61 Cl N3 O2 -","- C112 H122 Cl2 N6 O4 -","2","1","","Pascal, Simon; Getmanenko, Yulia A.; Zhang, Yadong; Davydenko, Iryna; Ngo, Minh Hoang; Pilet, Guillaume; Redon, Sébastien; Bretonnière, Yann; Maury, Olivier; Ledoux-Rak, Isabelle; Barlow, Stephen; Marder, Seth R.; Andraud, Chantal","Design of Near-Infrared-Absorbing Unsymmetrical Polymethine Dyes with Large Quadratic Hyperpolarizabilities","Chemistry of Materials","2018","30","10","3410","","10.1021/acs.chemmater.8b00960","","","0.71069","MoKα","","0.1547","0.1144","","0.133","0.1047","0.0997","","","","","","0.9399","","","","has coordinates","226204","2020-10-21","18:00:00",""
"4003099","10.0077","0.0009","10.0077","0.0009","10.0077","0.0009","90","","90","","90","","1002.31","0.16","10","2","10","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Cu13.7 P29.9 Zn2.4 -","- Ba8 Cu13.742 P29.8568 Zn2.3998 -","- Ba8 Cu13.742 P29.8568 Zn2.3998 -","1","0.0208333","","Dolyniuk, Juli-Anna; Wang, Jian; Marple, Maxwell A. T.; Sen, Sabyasachi; Cheng, Yongqiang; Ramirez-Cuesta, Anibal J.; Kovnir, Kirill","Chemical Bonding and Transport Properties in Clathrates-I with Cu‒Zn‒P Frameworks","Chemistry of Materials","2018","30","10","3419","","10.1021/acs.chemmater.8b00966","","","0.71073","MoKα","","0.0346","0.0299","","","0.0566","0.0575","","","","","","1.279","","","","has coordinates","226205","2020-10-21","18:00:00",""
"4003100","36.379","0.0009","36.379","0.0009","36.379","0.0009","90","","90","","90","","48145","2","180","2","180","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C72 H33 F N6 Ni3 O12 -","- C72 H33 F N6 Ni3 O12 -","- C576 H264 F8 N48 Ni24 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.71073","MoKα","","0.1093","0.0727","","","0.196","0.2223","","","","","","1.044","","","","has coordinates,has disorder","226206","2020-10-21","18:00:00",""
"4003101","32.3395","0.0006","32.3395","0.0006","32.3395","0.0006","90","","90","","90","","33822","1.1","170","2","170","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C64.2 H33.3 Co3 F N6 O15 -","- C64.2 H33.3 Co3 F N6 O15 -","- C513.6 H266.4 Co24 F8 N48 O120 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.71073","MoKα","","0.0494","0.0381","","","0.094","0.0995","","","","","","1.035","","","","has coordinates,has disorder","226207","2020-10-21","18:00:00",""
"4003102","32.34","0.004","32.34","0.004","32.34","0.004","90","","90","","90","","33824","7","170","2","170","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C65.01 H30 Co3 F N5.44 O12 -","- C65.01 H30 Co3 F N5.46 O12 -","- C520.08 H240 Co24 F8 N43.68 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.71073","MoKα","","0.1206","0.0536","","","0.0961","0.1137","","","","","","0.951","","","","has coordinates,has disorder","226208","2020-10-21","18:00:00",""
"4003103","32.3227","0.0011","32.3227","0.0011","32.3227","0.0011","90","","90","","90","","33769","2","170","2","170","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C60 H12 Co3 F N6 O15 -","- C60 H12 Co3 F N6 O15 -","- C480 H96 Co24 F8 N48 O120 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.71073","MoKα","","0.0684","0.042","","","0.0831","0.0905","","","","","","0.978","","","","has coordinates,has disorder","226209","2020-10-21","18:00:00",""
"4003104","32.2073","0.001","32.2073","0.001","32.2073","0.001","90","","90","","90","","33409","1.8","100","2","100","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C71 H49.5 B Co3 F5 N8.5 O16 -","- C63 H36 Co3 F N7.5 O12 -","- C504 H288 Co24 F8 N60 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.7749","synchrotron","","0.1","0.0906","","","0.2471","0.2686","","","","","","1.163","","","","has coordinates,has disorder","226210","2020-10-21","18:00:00",""
"4003105","32.0068","0.001","32.0068","0.001","32.0068","0.001","90","","90","","90","","32788.9","1.8","100","2","100","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C71 H47 B F5 N6 Ni3 O16 -","- C63 H42 F N6 Ni3 O12 -","- C504 H336 F8 N48 Ni24 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.7749","synchrotron","","0.0887","0.0834","","","0.2335","0.245","","","","","","1.18","","","","has coordinates,has disorder","226211","2020-10-21","18:00:00",""
"4003106","35.0946","0.001","35.0946","0.001","35.0946","0.001","90","","90","","90","","43224","2","100","2","100","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C86 H36 B Co3 F5 N6 O16 -","- C72 H48 B Co3 F5 N6 O12 -","- C576 H384 B8 Co24 F40 N48 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.7749","synchrotron","","0.0979","0.0888","","","0.2397","0.2654","","","","","","1.208","","","","has coordinates,has disorder","226212","2020-10-21","18:00:00",""
"4003107","32.141","0.002","32.141","0.002","32.141","0.002","90","","90","","90","","33203","4","170","2","170","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C66 H18 F N3 Ni3 O15 -","- C66 H18 F N3 Ni3 O15 -","- C528 H144 F8 N24 Ni24 O120 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.71073","MoKα","","0.0725","0.0502","","","0.121","0.1304","","","","","","1","","","","has coordinates,has disorder","226213","2020-10-21","18:00:00",""
"4003108","34.9443","0.0014","34.9443","0.0014","34.9443","0.0014","90","","90","","90","","42671","3","100","2","100","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C86 H36 B F5 N6 Ni3 O16 -","- C72 H48 B F5 N6 Ni3 O12 -","- C576 H384 B8 F40 N48 Ni24 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.7749","synchrotron","","0.0813","0.0766","","","0.2251","0.2364","","","","","","1.157","","","","has coordinates,has disorder","226214","2020-10-21","18:00:00",""
"4003109","31.9734","0.0009","31.9734","0.0009","31.9734","0.0009","90","","90","","90","","32686.4","1.6","100","2","100","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C71 H49.5 B F5 N8.5 Ni3 O16 -","- C63 H36 F N7.5 Ni3 O12 -","- C504 H288 F8 N60 Ni24 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.7749","synchrotron","","0.0932","0.0843","","","0.2324","0.2516","","","","","","1.203","","","","has coordinates,has disorder","226215","2020-10-21","18:00:00",""
"4003110","9.8513","0.0003","34.8811","0.001","37.774","0.0011","90","","90.753","0.001","90","","12978.9","0.7","210","2","210","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C68 H94 S8 -","- C68 H94 S8 -","- C544 H752 S64 -","8","2","","Burnett, Edmund K.; Cherniawski, Benjamin P.; Rosa, Stephen J.; Smilgies, Detlef-M.; Parkin, Sean; Briseno, Alejandro L.","Breaking the Bimolecular Crystal: The Effect of Side-Chain Length on Oligothiophene/Fullerene Intercalation","Chemistry of Materials","2018","30","8","2550","","10.1021/acs.chemmater.7b04702","","","1.54178","CuKα","","0.1215","0.0761","","","0.1932","0.2245","","","","","","1.089","","","","has coordinates,has disorder","226216","2020-10-21","18:00:00",""
"4003111","9.9128","0.0002","17.3598","0.0004","30.5931","0.0008","90","","96.851","0.001","90","","5227","0.2","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H70 S8 -","- C56 H70 S8 -","- C224 H280 S32 -","4","1","","Burnett, Edmund K.; Cherniawski, Benjamin P.; Rosa, Stephen J.; Smilgies, Detlef-M.; Parkin, Sean; Briseno, Alejandro L.","Breaking the Bimolecular Crystal: The Effect of Side-Chain Length on Oligothiophene/Fullerene Intercalation","Chemistry of Materials","2018","30","8","2550","","10.1021/acs.chemmater.7b04702","","","1.54178","CuKα","","0.0497","0.0473","","","0.1232","0.1251","","","","","","1.076","","","","has coordinates,has disorder","226217","2020-10-21","18:00:00",""
"4003112","9.9871","0.0003","17.3749","0.0005","38.6301","0.0011","90","","90.422","0.0012","90","","6703.1","0.3","210","2","210","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 S8 -","- C72 H102 S8 -","- C288 H408 S32 -","4","1","","Burnett, Edmund K.; Cherniawski, Benjamin P.; Rosa, Stephen J.; Smilgies, Detlef-M.; Parkin, Sean; Briseno, Alejandro L.","Breaking the Bimolecular Crystal: The Effect of Side-Chain Length on Oligothiophene/Fullerene Intercalation","Chemistry of Materials","2018","30","8","2550","","10.1021/acs.chemmater.7b04702","","","1.54178","CuKα","","0.1225","0.0913","","","0.181","0.2011","","","","","","1.068","","","","has coordinates,has disorder","226218","2020-10-21","18:00:00",""
"4003113","9.8832","0.0003","17.371","0.0005","34.8132","0.001","90","","91.655","0.0015","90","","5974.3","0.3","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H86 S8 -","- C64 H86 S8 -","- C256 H344 S32 -","4","1","","Burnett, Edmund K.; Cherniawski, Benjamin P.; Rosa, Stephen J.; Smilgies, Detlef-M.; Parkin, Sean; Briseno, Alejandro L.","Breaking the Bimolecular Crystal: The Effect of Side-Chain Length on Oligothiophene/Fullerene Intercalation","Chemistry of Materials","2018","30","8","2550","","10.1021/acs.chemmater.7b04702","","","1.54178","CuKα","","0.1011","0.0767","","","0.2018","0.2196","","","","","","1.123","","","","has coordinates,has disorder","226219","2020-10-21","18:00:00",""
"4003114","9.8567","0.0002","16.4658","0.0004","17.9517","0.0004","66.907","0.002","79.373","0.002","81.276","0.002","2623.94","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","2 in manuscript","","","- C66 H62 O8 -","- C66 H62 O8 -","- C132 H124 O16 -","2","1","","Reinhard, Dennis; Zhang, Wen-Shan; Vaynzof, Yana; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Triptycene-Based Porous Metal-Assisted Salphen Organic Frameworks: Influence of the Metal Ions on Formation and Gas Sorption","Chemistry of Materials","2018","30","8","2781","","10.1021/acs.chemmater.8b00614","","","1.54178","CuKα","","0.0502","0.0434","","","0.0989","0.1045","","","","","","1.066","","","","has coordinates","226220","2020-10-21","18:00:00",""
"4003115","11.1877","0.0002","13.8776","0.0003","23.4581","0.0004","76.102","0.001","85.644","0.002","66.973","0.001","3253.08","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3 in manuscript","","","- C71 H53 Cl9 O12 -","- C71 H53 Cl9 O12 -","- C142 H106 Cl18 O24 -","2","1","","Reinhard, Dennis; Zhang, Wen-Shan; Vaynzof, Yana; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Triptycene-Based Porous Metal-Assisted Salphen Organic Frameworks: Influence of the Metal Ions on Formation and Gas Sorption","Chemistry of Materials","2018","30","8","2781","","10.1021/acs.chemmater.8b00614","","","1.54178","CuKα","","0.0513","0.0461","","","0.1206","0.1256","","","","","","1.042","","","","has coordinates,has disorder","226220","2020-10-21","18:00:00",""
"4003116","28.36","0.001","28.36","0.001","40.788","0.002","90","","90","","120","","28410","2","100","0.1","100","0.1","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C198 H153 Ag28 O3 P7 Pt S24 -","- C198 H153 Ag28 O3 P7 Pt S24 -","- C792 H612 Ag112 O12 P28 Pt4 S96 -","4","0.333333","","Bootharaju, Megalamane S.; Kozlov, Sergey M.; Cao, Zhen; Shkurenko, Aleksander; El-Zohry, Ahmed M.; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.; Cavallo, Luigi; Basset, Jean-Marie","Tailoring the Crystal Structure of Nanoclusters Unveiled High Photoluminescence via Ion Pairing","Chemistry of Materials","2018","30","8","2719","","10.1021/acs.chemmater.8b00328","","","1.54178","CuKα","","0.1227","0.0687","","","0.1834","0.2124","","","","","","1.043","","","","has coordinates,has disorder","226221","2020-10-21","18:00:00",""
"4003117","5.943","0.003","5.943","0.003","5.943","0.003","90","","90","","90","","209.9","0.18","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N Pb0.74 Sn0.26 -","- C Br3 N Pb0.743 Sn0.257 -","- C Br3 N Pb0.743 Sn0.257 -","1","0.0208333","","Ju, Dianxing; Dang, Yangyang; Zhu, Zonglong; Liu, Hongbin; Chueh, Chu-Chen; Li, Xiaosong; Wang, Lei; Hu, Xiaobo; Jen, Alex K.-Y.; Tao, Xutang","Tunable Band Gap and Long Carrier Recombination Lifetime of Stable Mixed CH3NH3PbxSn1‒xBr3 Single Crystals","Chemistry of Materials","2018","30","5","1556","","10.1021/acs.chemmater.7b04565","","x-ray","0.71073","MoKα","","0.0248","0.0248","","","0.0296","0.0296","","","","1","1","1","","","","has coordinates","226222","2020-10-21","18:00:00",""
"4003118","11.12874","0.00011","3.2729","0.00003","10.5453","0.00011","90","","109.894","0.0007","90","","361.173","0.006","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Distrontiumheptanitridomagnesopentaaluminate","","- Al5 Mg N7 Sr2 -","- Al5 Mg N7 Sr2 -","- Al10 Mg2 N14 Sr4 -","2","0.25","","Wagatha, Peter; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","Tunable Red Luminescence in Nitridomagnesoaluminates α-Sr2[MgAl5N7]:Eu2+, β-Sr2[MgAl5N7]:Eu2+, and Sr8[LiMg2Al21N28]:Eu2+","Chemistry of Materials","2018","30","5","1755","","10.1021/acs.chemmater.8b00106","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","2.486","4.266","","","","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003121","4.3483","0.0002","17.6677","0.0012","11.4806","0.0007","90","","93.576","0.005","90","","880.27","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 Br2 N O Pb -","- C3 H7 Br2 N O Pb -","- C12 H28 Br8 N4 O4 Pb4 -","4","1","","Liu, Mei; Zhao, Jiangtao; Luo, Zhenlin; Sun, Zhihu; Pan, Nan; Ding, Huaiyi; Wang, Xiaoping","Unveiling Solvent-Related Effect on Phase Transformations in CsBr‒PbBr2 System: Coordination and Ratio of Precursors","Chemistry of Materials","2018","30","17","5846","","10.1021/acs.chemmater.8b00537","","","0.71073","MoKα","","0.1239","0.0624","","","0.0999","0.1223","","","","","","0.99","","","","has coordinates","226226","2020-10-21","18:00:00",""
"4003122","12.2606","0.0007","4.3331","0.0002","12.5","0.0008","90","","101.398","0.006","90","","650.98","0.06","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Br3 H2 O Pb1.5 -","- Br3 H2 O Pb1.5 -","- Br12 H8 O4 Pb6 -","4","1","","Liu, Mei; Zhao, Jiangtao; Luo, Zhenlin; Sun, Zhihu; Pan, Nan; Ding, Huaiyi; Wang, Xiaoping","Unveiling Solvent-Related Effect on Phase Transformations in CsBr‒PbBr2 System: Coordination and Ratio of Precursors","Chemistry of Materials","2018","30","17","5846","","10.1021/acs.chemmater.8b00537","","","0.71073","MoKα","","0.1218","0.0811","","","0.1895","0.226","","","","","","1.05","","","","has coordinates","226227","2020-10-21","18:00:00",""
"4003123","11.3599","0.0007","12.3868","0.0008","16.3945","0.001","80.4131","0.0011","76.937","0.0011","76.3263","0.0011","2167.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H32 Cl2 F12 Hg3 O2 -","- C47 H32 Cl2 F12 Hg3 O2 -","- C94 H64 Cl4 F24 Hg6 O4 -","2","1","","Wang, Jiliang; Price, Randi S.; Leem, Gyu; Jiang, Junlin; Abboud, Khalil A.; Schanze, Kirk S.","Interaction of a Poly(phenylene vinylene) with an Organometallic Lewis Acid Additive: Fundamentals and Application in Polymer Solar Cells","Chemistry of Materials","2018","30","17","5968","","10.1021/acs.chemmater.8b02152","","","0.71073","MoKα","","0.0198","0.0161","","","0.0373","0.045","","","","","","1.094","","","","has coordinates","226228","2020-10-21","18:00:00",""
"4003124","12.1375","0.0006","14.2801","0.0005","17.8065","0.0008","67.234","0.004","70.613","0.004","89.92","0.004","2655.7","0.2","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H98 Ag10 Cl16 F6 N4 O10 P2 S6 -","- C68 H98 Ag10 Cl16 F6 N4 O10 P2 S6 -","- C68 H98 Ag10 Cl16 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.1122","0.1082","","","0.3166","0.3258","","","","","","1.084","","","","has coordinates,has disorder","226229","2020-10-21","18:00:00",""
"4003125","13.5301","0.0018","16.485","0.002","13.905","0.002","90","","98.2146","0.0011","90","","3069.6","0.7","400","","400","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 N4 Ni O2 -","- C30 H34 Cl2 N4 Ni O2 -","- C120 H136 Cl8 N16 Ni4 O8 -","4","1","","Homma, Yuta; Ishida, Takayuki","A New S = 0 ⇄ S = 2 “Spin-Crossover” Scenario Found in a Nickel(II) Bis(nitroxide) System","Chemistry of Materials","2018","30","6","1835","","10.1021/acs.chemmater.7b05357","","","0.71073","MoKα","","","0.0727","","","","0.0722","","","","","","1.196","","","","has coordinates","226230","2020-10-21","18:00:00",""
"4003126","13.3679","0.0013","16.2549","0.0015","13.6561","0.0014","90","","97.7819","0.0008","90","","2940.1","0.5","85","","85","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 N4 Ni O2 -","- C30 H34 Cl2 N4 Ni O2 -","- C120 H136 Cl8 N16 Ni4 O8 -","4","1","","Homma, Yuta; Ishida, Takayuki","A New S = 0 ⇄ S = 2 “Spin-Crossover” Scenario Found in a Nickel(II) Bis(nitroxide) System","Chemistry of Materials","2018","30","6","1835","","10.1021/acs.chemmater.7b05357","","","0.71073","MoKα","","","0.0516","","","","0.0612","","","","","","1.097","","","","has coordinates","226231","2020-10-21","18:00:00",""
"4003127","33.1112","0.0016","5.2976","0.0003","17.5164","0.0008","90","","90","","90","","3072.5","0.3","103","2","102.75","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H40 N2 O5 -","- C39 H40 N2 O5 -","- C156 H160 N8 O20 -","4","1","","Chen, Yao; Yang, Lin; Wu, Jianglin; Wang, Gang; Huang, Wei; Melkonyan, Ferdinand S.; Lu, Zhiyun; Huang, Yan; Marks, Tobin J.; Facchetti, Antonio","Performance, Morphology, and Charge Recombination Correlations in Ternary Squaraine Solar Cells","Chemistry of Materials","2018","30","19","6810","","10.1021/acs.chemmater.8b02746","","","1.54178","CuKα","","0.033","0.0317","","","0.0758","0.0766","","","","","","1.062","","","","has coordinates,has disorder","226232","2020-10-21","18:00:00",""
"4003128","10.2401","0.0007","19.7604","0.0014","21.4189","0.0015","101.991","0.0016","99.5004","0.0016","99.8941","0.0015","4084.8","0.5","90","","90","","","","","","","","synthesized","9","P -1","-P 1","2","","","","- C92 H72 B2 Cu2 F8 N4 O4 P4 S2 -","- C92 H72 B2 Cu2 F8 N4 O4 P4 S2 -","- C184 H144 B4 Cu4 F16 N8 O8 P8 S4 -","2","1","","Brown, Christopher M.; Carta, Veronica; Wolf, Michael O.","Thermochromic Solid-State Emission of Dipyridyl Sulfoxide Cu(I) Complexes","Chemistry of Materials","2018","30","16","5786","","10.1021/acs.chemmater.8b02821","","","0.71073","MoKα","","0.0548","0.0413","","0.1013","0.0901","0.1013","","","","","","0.9181","","","","has coordinates,has disorder","226233","2020-10-21","18:00:00",""
"4003129","12.4822","0.0011","14.5739","0.0014","15.8204","0.0014","74.485","0.002","88.104","0.002","72.284","0.002","2637.9","0.4","90","","90","","","","","","","","synthesized","10","P -1","-P 1","2","","","","- C49 H42 B Cl2 Cu F4 N2 O2 P2 S -","- C49 H42 B Cl2 Cu F4 N2 O2 P2 S -","- C98 H84 B2 Cl4 Cu2 F8 N4 O4 P4 S2 -","2","1","","Brown, Christopher M.; Carta, Veronica; Wolf, Michael O.","Thermochromic Solid-State Emission of Dipyridyl Sulfoxide Cu(I) Complexes","Chemistry of Materials","2018","30","16","5786","","10.1021/acs.chemmater.8b02821","","","0.71073","MoKα","","0.0869","0.0662","","0.2034","0.1746","0.2033","","","","","","0.9654","","","","has coordinates,has disorder","226233","2020-10-21","18:00:00",""
"4003130","7.641","0.002","4.0199","0.0011","9.013","0.003","90","","113.764","0.009","90","","253.37","0.13","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cu O Sb Se2 Sr -","- Cu O Sb Se2 Sr -","- Cu2 O2 Sb2 Se4 Sr2 -","2","0.5","","Bu, Kejun; Huang, Jian; Luo, Mengjia; Guan, Mengjia; Zheng, Chong; Pan, Jie; Zhang, Xian; Wang, Sishun; Zhao, Wei; Shi, Xun; Xu, Li; Huang, Fuqiang","Observation of High Seebeck Coefficient and Low Thermal Conductivity in [SrO]-Intercalated CuSbSe2 Compound","Chemistry of Materials","2018","30","16","5539","","10.1021/acs.chemmater.8b02651","","","0.71073","MoKα","","0.0743","0.0392","","","0.0605","0.0668","","","","","","0.991","","","","has coordinates","226234","2020-10-21","18:00:00",""
"4003131","10.9536","0.0012","12.6964","0.0012","12.78","0.0011","116.804","0.004","92.354","0.006","98.939","0.006","1554.6","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H40 N6 -","- C36 H40 N6 -","- C72 H80 N12 -","2","1","","Wu, Hongzhuo; Wang, Yang; Qiao, Xiaolan; Wang, Deliang; Yang, Xiaodi; Li, Hongxiang","Pyrrolo[3,2-b]pyrrole-Based Quinoidal Compounds For High Performance n-Channel Organic Field-Effect Transistor","Chemistry of Materials","2018","30","20","6992","","10.1021/acs.chemmater.8b01791","","","1.54178","CuKα","","0.1277","0.094","","","0.2789","0.3154","","","","","","1.055","","","","has coordinates,has disorder","226235","2020-10-21","18:00:00",""
"4003132","15.4387","0.0006","12.7404","0.0004","20.8005","0.0008","90","","106.901","0.002","90","","3914.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 F2 N6 -","- C35.9996 H38 F2 N6 -","- C143.998 H152 F8 N24 -","4","1","","Wu, Hongzhuo; Wang, Yang; Qiao, Xiaolan; Wang, Deliang; Yang, Xiaodi; Li, Hongxiang","Pyrrolo[3,2-b]pyrrole-Based Quinoidal Compounds For High Performance n-Channel Organic Field-Effect Transistor","Chemistry of Materials","2018","30","20","6992","","10.1021/acs.chemmater.8b01791","","","1.54178","CuKα","","0.1661","0.1087","","","0.2668","0.3031","","","","","","1.038","","","","has coordinates,has disorder","226236","2020-10-21","18:00:00",""
"4003133","4.316","0.0003","4.316","0.0003","11.2486","0.0008","90","","90","","90","","209.54","0.03","298","2","298","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag5 Cs S2 Te -","- Ag5 Cs S2 Te -","- Ag5 Cs S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Alexander, Grant C. B.; Chan, Maria K. Y.; Kanatzidis, Mercouri G.","Two-Dimensional CsAg5Te3‒xSx Semiconductors: Multi-anion Chalcogenides with Dynamic Disorder and Ultralow Thermal Conductivity","Chemistry of Materials","2018","30","20","7245","","10.1021/acs.chemmater.8b03306","","","0.71073","MoKα","","0.0146","0.0144","","","0.0403","0.0405","","","","","","1.152","","","","has coordinates","226237","2020-10-21","18:00:00",""
"4003134","4.282","0.003","4.282","0.003","11.221","0.005","90","","90","","90","","205.7","0.2","100","2","100","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag5 Cs S2 Te -","- Ag5 Cs S2 Te -","- Ag5 Cs S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Alexander, Grant C. B.; Chan, Maria K. Y.; Kanatzidis, Mercouri G.","Two-Dimensional CsAg5Te3‒xSx Semiconductors: Multi-anion Chalcogenides with Dynamic Disorder and Ultralow Thermal Conductivity","Chemistry of Materials","2018","30","20","7245","","10.1021/acs.chemmater.8b03306","","","0.71073","MoKα","","0.0153","0.0153","","","0.0421","0.0421","","","","","","1.307","","","","has coordinates","226238","2020-10-21","18:00:00",""
"4003135","4.4637","0.0006","4.4637","0.0006","11.335","0.002","90","","90","","90","","225.85","0.06","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","Cesium pentasilver disulfide telluride","","- Ag5 Cs S0.94 Te2.06 -","- Ag5 Cs S0.94 Te2.06 -","- Ag5 Cs S0.94 Te2.06 -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Alexander, Grant C. B.; Chan, Maria K. Y.; Kanatzidis, Mercouri G.","Two-Dimensional CsAg5Te3‒xSx Semiconductors: Multi-anion Chalcogenides with Dynamic Disorder and Ultralow Thermal Conductivity","Chemistry of Materials","2018","30","20","7245","","10.1021/acs.chemmater.8b03306","","x-ray","0.71073","MoKα","","0.0319","0.0288","","","0.0723","0.074","","","","","","1.324","","","","has coordinates","226239","2020-10-21","18:00:00",""
"4003136","11.5264","0.0008","12.7009","0.0009","13.7691","0.0009","82.6384","0.0007","88.3814","0.0008","69.7873","0.0007","1875.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Li Ni O11 S10 -","- C24 H36 Li Ni O11 S10 -","- C48 H72 Li2 Ni2 O22 S20 -","2","1","","Ichihashi, Katsuya; Konno, Daisuke; Date, Takuya; Nishimura, Takumi; Maryunina, Kseniya Yu.; Inoue, Katsuya; Nakaya, Toshimi; Toyoda, Kazuhiro; Tatewaki, Yoko; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Nishihara, Sadafumi","Optimizing Lithium Ion Conduction through Crown Ether-Based Cylindrical Channels in [Ni(dmit)2]− Salts","Chemistry of Materials","2018","30","20","7130","","10.1021/acs.chemmater.8b03027","","","0.71073","MoKα","","0.0259","0.0223","","","0.0613","0.0642","","","","","","1.03","","","","has coordinates","226240","2020-10-21","18:00:00",""
"4003137","10.6327","0.0004","12.6385","0.0005","13.35","0.0006","82.8866","0.0013","77.4852","0.0013","86.8376","0.0012","1737.14","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H32 Li Ni O8.5 S10 -","- C21 H30 Li Ni O8.49 S10 -","- C42 H60 Li2 Ni2 O16.98 S20 -","2","1","","Ichihashi, Katsuya; Konno, Daisuke; Date, Takuya; Nishimura, Takumi; Maryunina, Kseniya Yu.; Inoue, Katsuya; Nakaya, Toshimi; Toyoda, Kazuhiro; Tatewaki, Yoko; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Nishihara, Sadafumi","Optimizing Lithium Ion Conduction through Crown Ether-Based Cylindrical Channels in [Ni(dmit)2]− Salts","Chemistry of Materials","2018","30","20","7130","","10.1021/acs.chemmater.8b03027","","","0.71073","MoKα","","0.077","0.0524","","","0.1267","0.1468","","","","","","1.077","","","","has coordinates,has disorder","226240","2020-10-21","18:00:00",""
"4003138","7.5679","0.0004","13.0883","0.0006","31.3052","0.0015","90","","94.8444","0.0007","90","","3089.7","0.3","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As12 Eu11 Sn2 Zn4 -","- As12 Eu11 Sn2 Zn4 -","- As48 Eu44 Sn8 Zn16 -","4","0.5","","Devlin, Kasey P.; Kazem, Nasrin; Zaikina, Julia V.; Cooley, Joya A.; Badger, Jackson R.; Fettinger, James C.; Taufour, Valentin; Kauzlarich, Susan M.","Eu11Zn4Sn2As12: A Ferromagnetic Zintl Semiconductor with a Layered Structure Featuring Extended Zn4As6 Sheets and Ethane-like Sn2As6 Units","Chemistry of Materials","2018","30","20","7067","","10.1021/acs.chemmater.8b02749","","","0.71073","MoKα","","0.0398","0.0304","","","0.0602","0.0633","","","","","","1.103","","","","has coordinates,has disorder","226241","2020-10-21","18:00:00",""
"4003139","9.44471","0.0001","10.54296","0.0001","21.2952","0.0002","90","","90","","90","","2120.47","0.04","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Olex2 1.2 (compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C108 H92 N12 O4 -","4","1","","Niu, Guangle; Zhang, Ruoyao; Kwong, John P. C.; Lam, Jacky W. Y.; Chen, Congping; Wang, Jianguo; Chen, Yuncong; Feng, Xing; Kwok, Ryan T. K.; Sung, Herman H.-Y.; Williams, Ian D.; Elsegood, Mark R. J.; Qu, Jianan; Ma, Chao; Wong, Kam Sing; Yu, Xiaoqiang; Tang, Ben Zhong","Specific Two-Photon Imaging of Live Cellular and Deep-Tissue Lipid Droplets by Lipophilic AIEgens at Ultralow Concentration","Chemistry of Materials","2018","30","14","4778","","10.1021/acs.chemmater.8b01943","","","1.54184","CuKα","","0.0289","0.0275","","","0.0739","0.0754","","","","","","1.06","","","","has coordinates","226242","2020-10-21","18:00:00",""
"4003140","5.5672","0.0001","8.2191","0.0002","4.7841","0.0001","90","","90","","90","","218.908","0.008","224","8","224","8","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H2 K Mg O5 P -","- H2 K Mg O5 P -","- H4 K2 Mg2 O10 P2 -","2","0.5","","Bai, Zhiyong; Hu, Chun-Li; Liu, Lehui; Zhang, Lizhen; Huang, Yisheng; Yuan, Feifei; Lin, Zhoubin","KMg(H2O)PO4: A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO4","Chemistry of Materials","2019","31","22","9540","","10.1021/acs.chemmater.9b03950","","x-ray","1.3405","GaKα","","0.0184","0.0183","","","0.0459","0.046","","","","","","1.019","","","","has coordinates","246545","2020-10-21","18:00:00",""
"4003141","12.87191","0.00014","28.0795","0.0005","7.06792","0.00008","90","","90","","90","","2554.61","0.06","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N O11 P2 S Sm -","- C4 N O11 P2 S Sm -","- C32 N8 O88 P16 S8 Sm8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.4124","synchrotron","","","","","","","","0.04308","","4.5","","","","","","","has coordinates","231134","2020-10-21","18:00:00",""
"4003142","12.93108","0.00033","27.9525","0.001","7.11941","0.00016","90","","90","","90","","2573.35","0.13","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N Nd O11 P2 S -","- C4 N Nd O11 P2 S -","- C32 N8 Nd8 O88 P16 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.03607","","1.2","","","","","","","has coordinates","231135","2020-10-21","18:00:00",""
"4003143","12.8176","0.0005","27.9047","0.0022","7.05997","0.00024","90","","90","","90","","2525.1","0.2","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 Eu N O11 P2 S -","- C4 Eu N O11 P2 S -","- C32 Eu8 N8 O88 P16 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.04989","","2.58","","","","","","","has coordinates","231136","2020-10-21","18:00:00",""
"4003144","12.98444","0.00014","27.9499","0.0006","7.15462","0.00008","90","","90","","90","","2596.51","0.07","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N O11 P2 Pr S -","- C4 N O11 P2 Pr S -","- C32 N8 O88 P16 Pr8 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.4124","synchrotron","","","","","","","","0.01678","","3.74","","","","","","","has coordinates","231137","2020-10-21","18:00:00",""
"4003145","12.7521","0.0006","27.9893","0.0014","7.01895","0.00031","90","","90","","90","","2505.2","0.2","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 N O11 P2 S Tb -","- C4 N O11 P2 S Tb -","- C32 N8 O88 P16 S8 Tb8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","Mokα~1~","","","","","","","","0.0448","","1.67","","","","","","","has coordinates","231138","2020-10-21","18:00:00",""
"4003146","12.78286","0.00028","27.9621","0.0008","7.04068","0.00015","90","","90","","90","","2516.59","0.11","298","","298","","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C4 Gd N O11 P2 S -","- C4 Gd N O11 P2 S -","- C32 Gd8 N8 O88 P16 S8 -","8","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.03691","","1.2","","","","","","","has coordinates","231139","2020-10-21","18:00:00",""
"4003147","12.07238","0.00032","7.51473","0.00017","14.28074","0.00031","90","","103.098","0.0016","90","","1261.86","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 La N O11 P2 S -","- C4 La N O11 P2 S -","- C16 La4 N4 O44 P8 S4 -","4","1","","Bazaga-García, Montse; Salcedo, Inés R.; Colodrero, Rosario M. P.; Xanthopoulos, Konstantinos; Villemin, Didier; Stock, Norbert; López-González, Mar; del Río, Carmen; Losilla, Enrique R.; Cabeza, Aurelio; Demadis, Konstantinos D.; Olivera-Pastor, Pascual","Layered Lanthanide Sulfophosphonates and Their Proton Conduction Properties in Membrane Electrode Assemblies","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02868","powder diffraction","x-ray","0.4124","Synchrotron","","","","","","","","0.04569","","10.08","","","","","","","has coordinates","231140","2020-10-21","18:00:00",""
"4003148","44.271","0.002","44.271","0.002","44.271","0.002","90","","90","","90","","86768","7","228","2","228","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","MTAF-2","","","- C30 H12 Cu6 N9 O23.5 -","- C30 H12 Cu6 N9 O23.5 -","- C960 H384 Cu192 N288 O752 -","32","0.166667","","Gao, Wen-Yang; Cai, Rong; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Nugent, Patrick; Williams, Kia; Wojtas, Lukasz; Luebke, Ryan; Weseliński, Łukasz J.; Zaworotko, Michael J.; Space, Brian; Chen, Yu-Sheng; Eddaoudi, Mohamed; Shi, Xiaodong; Ma, Shengqian","Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal‒Organic Frameworks","Chemistry of Materials","2015","27","6","2144","","10.1021/acs.chemmater.5b00084","","","0.41328","synchrotron","","0.1083","0.0911","","","0.2572","0.2757","","","","","","1.079","","","","has coordinates,has disorder","231389","2020-10-21","18:00:00",""
"4003149","44.588","0.003","44.588","0.003","44.588","0.003","90","","90","","90","","88645","10","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","MPAF-1","","","- C33 H15 Cu6 N6 O19 -","- C33 H15 Cu6 N6 O19 -","- C1056 H480 Cu192 N192 O608 -","32","0.166667","","Gao, Wen-Yang; Cai, Rong; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Nugent, Patrick; Williams, Kia; Wojtas, Lukasz; Luebke, Ryan; Weseliński, Łukasz J.; Zaworotko, Michael J.; Space, Brian; Chen, Yu-Sheng; Eddaoudi, Mohamed; Shi, Xiaodong; Ma, Shengqian","Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal‒Organic Frameworks","Chemistry of Materials","2015","27","6","2144","","10.1021/acs.chemmater.5b00084","","","0.41328","synchrotron","","0.0751","0.0674","","","0.2084","0.2133","","","","","","1.08","","","","has coordinates,has disorder","231390","2020-10-21","18:00:00",""
"4003150","12.9801","0.0015","15.4628","0.0018","17.708","0.002","93.992","0.002","90.777","0.002","94.773","0.002","3532.6","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H56.2 Cu3 F9 N8 O15.1 S3 -","- C71 H56.2 Cu3 F9 N8 O15.1 S3 -","- C142 H112.4 Cu6 F18 N16 O30.2 S6 -","2","1","","Ma, Jian-Ping; Wang, Shen-Qing; Zhao, Chao-Wei; Yu, Yang; Dong, Yu-Bin","Cu(II)-Metal‒Organic Framework with Open Coordination Metal Sites for Low Temperature Thermochemical Water Oxidation","Chemistry of Materials","2015","27","11","3805","","10.1021/acs.chemmater.5b00754","","","0.71073","MoKα","","0.0855","0.0559","","","0.1429","0.1618","","","","","","1.032","","","","has coordinates,has disorder","231391","2020-10-21","18:00:00",""
"4003151","13.0883","0.0004","13.0883","0.0004","26.7939","0.001","90","","90","","90","","4589.9","0.3","100","0.2","100","0.2","","","","","","","","7","P 42 2 2","P 4c 2","93","","","","- C35 H26 Cu F3 N4 O6 S -","- C35 H26 Cu F3 N4 O6 S -","- C140 H104 Cu4 F12 N16 O24 S4 -","4","0.5","","Ma, Jian-Ping; Wang, Shen-Qing; Zhao, Chao-Wei; Yu, Yang; Dong, Yu-Bin","Cu(II)-Metal‒Organic Framework with Open Coordination Metal Sites for Low Temperature Thermochemical Water Oxidation","Chemistry of Materials","2015","27","11","3805","","10.1021/acs.chemmater.5b00754","","","0.7107","MoKα","","0.1029","0.0777","","","0.2273","0.2473","","","","","","1.076","","","","has coordinates","231392","2020-10-21","18:00:00",""
"4003152","5.839","0.002","6.39","0.003","15.961","0.007","90","","98.826","0.006","90","","588.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 Cl Li N O -","- C3 H7 Cl Li N O -","- C12 H28 Cl4 Li4 N4 O4 -","4","1","","Chinnam, Parameswara R.; Clymer, Rebecca N.; Jalil, Abdel Aziz; Wunder, Stephanie L.; Zdilla, Michael J.","Bulk-Phase Ion Conduction in Cocrystalline LiCl·N,N-Dimethylformamide: A New Paradigm for Solid Electrolytes Based upon the Pearson Hard‒Soft Acid‒Base Concept","Chemistry of Materials","2015","27","16","5479","","10.1021/acs.chemmater.5b00940","","","0.71073","MoKα","","0.1076","0.0539","","","0.1082","0.1243","","","","","","1.009","","","","has coordinates","231393","2020-10-21","18:00:00",""
"4003153","19.594","0.01","8.739","0.004","18.853","0.01","90","","99.234","0.009","90","","3186","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N4 O2 P -","- C16 H17 N4 O2 P -","- C128 H136 N32 O16 P8 -","8","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.0395","0.032","","","0.0809","0.0854","","","","","","1.052","","","","has coordinates","231394","2020-10-21","18:00:00",""
"4003154","23.781","0.005","23.781","0.005","11.844","0.003","90","","90","","90","","6698","3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H30 Cu N10 O8 P2 -","- C32 H30 Cu N10 O8 P2 -","- C256 H240 Cu8 N80 O64 P16 -","8","0.5","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.0912","0.0436","","","0.085","0.1003","","","","","","1.005","","","","has coordinates","231395","2020-10-21","18:00:00",""
"4003155","25.688","0.005","12.212","0.003","17.076","0.007","90","","127.862","0.003","90","","4229","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H41 Cu N10 O12.5 P2 -","- C33 H33 Cu N10 O12.5 P2 -","- C132 H132 Cu4 N40 O50 P8 -","4","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.2004","0.1103","","","0.2813","0.3448","","","","","","1.044","","","","has coordinates,has disorder","231396","2020-10-21","18:00:00",""
"4003156","8.433","0.003","9.174","0.004","10.074","0.004","80.921","0.007","80.814","0.007","89.836","0.008","759.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N4 O P -","- C16 H15 N4 O P -","- C32 H30 N8 O2 P2 -","2","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.0426","0.0383","","","0.1037","0.1072","","","","","","1.058","","","","has coordinates","231397","2020-10-21","18:00:00",""
"4003157","25.688","0.005","12.212","0.003","17.076","0.007","90","","127.862","0.003","90","","4229","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H34 Cu N10 O10 P2 -","- C32 H30 Cu N10 O10 P2 -","- C128 H120 Cu4 N40 O40 P8 -","4","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.1609","0.0992","","","0.2592","0.298","","","","","","0.894","","","","has coordinates,has disorder","231398","2020-10-21","18:00:00",""
"4003158","6.128","0.0015","7.5805","0.0019","28.009","0.007","90","","94.509","0.007","90","","1297.1","0.6","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C38 H20 S4 -","- C38 H20 S4 -","- C76 H40 S8 -","2","0.5","","Abe, Masahiro; Mori, Takamichi; Osaka, Itaru; Sugimoto, Kunihisa; Takimiya, Kazuo","Thermally, Operationally, and Environmentally Stable Organic Thin-Film Transistors Based on Bis[1]benzothieno[2,3-d:2′,3′-d′]naphtho[2,3-b:6,7-b′]dithiophene Derivatives: Effective Synthesis, Electronic Structures, and Structure‒Property Relationship","Chemistry of Materials","2015","27","14","5049","","10.1021/acs.chemmater.5b01608","","","0.6997","synchrotron","","0.1377","0.0803","","","0.1875","0.2287","","","","","","1.182","","","","has coordinates","231399","2020-10-21","18:00:00",""
"4003159","28.32","0.005","28.32","0.005","12.835","0.003","90","","90","","120","","8915","3","298","","298","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C26 H15 La N O18.39 -","- C26.0001 H14.0001 La N0.9999 O18.3928 -","- C234.001 H126.001 La9 N8.9991 O165.535 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","powder diffraction","","0.827107","Synchrotron","","","","","","","","","0.0097","1.065","","","","","","","has coordinates","231400","2020-10-21","18:00:00",""
"4003160","24.1843","0.0005","24.1843","0.0005","13.0217","0.0005","90","","90","","120","","6595.8","0.3","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0608","0.0432","","","0.0797","0.0842","","","","","","1.004","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003161","24.2009","0.0007","24.2009","0.0007","12.9648","0.0006","90","","90","","120","","6576","0.4","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H14 La N O9 -","- C21 H14 La N O9 -","- C189 H126 La9 N9 O81 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0578","0.0472","","","0.0979","0.1022","","","","","","1.047","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003162","24.197","0.0006","24.197","0.0006","13.1426","0.0004","90","","90","","120","","6664","0.3","323","2","323","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0582","0.0445","","","0.0928","0.0985","","","","","","1.022","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003163","24.2447","0.0008","24.2447","0.0008","13.1705","0.0008","90","","90","","120","","6704.5","0.5","373","2","373","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.073","0.0479","","","0.1069","0.1166","","","","","","0.976","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003164","24.2372","0.0012","24.2372","0.0012","13.2135","0.0011","90","","90","","120","","6722.2","0.7","423","2","423","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.1015","0.0591","","","0.0851","0.094","","","","","","0.979","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003165","24.313","0.002","24.313","0.002","13.184","0.002","90","","90","","120","","6749.2","1.3","473","2","473","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.1352","0.0695","","","0.1387","0.1554","","","","","","1.026","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003166","24.25","0.009","24.25","0.009","13.093","0.012","90","","90","","120","","6668","7","500","2","500","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O6 -","- C21 H12 La N O6 -","- C189 H108 La9 N9 O54 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.2265","0.0833","","","0.1168","0.1382","","","","","","0.916","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003167","24.1719","0.0012","24.1719","0.0012","13.011","0.0012","90","","90","","120","","6583.6","0.8","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0911","0.0648","","","0.1059","0.1148","","","","","","0.99","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003168","24.188","0.0009","24.188","0.0009","13.1489","0.0011","90","","90","","120","","6662.2","0.7","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 Ce N O7 -","- C21 H12 Ce N O7 -","- C189 H108 Ce9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0668","0.0513","","","0.1102","0.1179","","","","","","1.036","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003169","35.242","0.0019","35.242","0.0019","13.493","0.005","90","","90","","120","","14513","5","298","","298","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C33 H15 Eu O20.9 -","- C33 H15 Eu O20.9098 -","- C297 H135 Eu9 O188.188 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0092","1.581","","","","","","","has coordinates","231402","2020-10-21","18:00:00",""
"4003170","24.104","0.0015","12.539","0.0008","17.9067","0.0011","90","","113.374","0.003","90","","4968","0.5","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 Cu2 I2 N8 O5 -","- C50 H48 Cu2 I2 N8 O5 -","- C200 H192 Cu8 I8 N32 O20 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0941","0.0595","","","0.1435","0.1695","","","","","","1.072","","","","has coordinates","231403","2020-10-21","18:00:00",""
"4003171","24.448","0.003","12.4621","0.0012","17.8907","0.0019","90","","113.418","0.005","90","","5001.8","1","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 Cu2 I2 N10 O4 -","- C53 H48 Cu2 I2 N10 O4 -","- C212 H192 Cu8 I8 N40 O16 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0576","0.0515","","","0.1683","0.1768","","","","","","1.089","","","","has coordinates","231404","2020-10-21","18:00:00",""
"4003172","24.457","0.002","12.2391","0.0011","18.0357","0.0014","90","","113.779","0.005","90","","4940.4","0.7","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cu I N3 O3 -","- C24 H21 Cu I N3 O3 -","- C192 H168 Cu8 I8 N24 O24 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0708","0.0465","","","0.1226","0.141","","","","","","1.051","","","","has coordinates","231405","2020-10-21","18:00:00",""
"4003173","12.681","0.003","13.34","0.003","17.761","0.004","69.389","0.009","89.016","0.01","63.4","0.009","2478.9","1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H39 Cu2 F I2 N6 O3 -","- C50 H39 Cu2 F I2 N6 O3 -","- C100 H78 Cu4 F2 I4 N12 O6 -","2","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0825","0.0579","","","0.1641","0.184","","","","","","1.062","","","","has coordinates","231406","2020-10-21","18:00:00",""
"4003174","23.8814","0.001","12.9205","0.0005","17.5755","0.0007","90","","112.522","0.002","90","","5009.5","0.4","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Br Cu2 I2 N6 O2 -","- C50 H38 Br Cu2 I2 N6 O2 -","- C200 H152 Br4 Cu8 I8 N24 O8 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0895","0.0748","","","0.2224","0.2346","","","","","","1.136","","","","has coordinates","231407","2020-10-21","18:00:00",""
"4003175","24.5691","0.0008","12.317","0.0004","18.0299","0.0006","90","","114.046","0.002","90","","4982.7","0.3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H34 Cu2 I2 N10 O2 -","- C59 H34 Cu2 I2 N10 O2 -","- C236 H136 Cu8 I8 N40 O8 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.066","0.0523","","","0.1382","0.1578","","","","","","1.011","","","","has coordinates","231408","2020-10-21","18:00:00",""
"4003176","23.6086","0.0015","12.9371","0.0008","17.5536","0.0011","90","","112.57","0.003","90","","4950.7","0.5","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 Cu I N4 O3 -","- C25 H19 Cu I N4 O3 -","- C200 H152 Cu8 I8 N32 O24 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.1432","0.0553","","","0.1076","0.1353","","","","","","0.95","","","","has coordinates","231409","2020-10-21","18:00:00",""
"4003177","23.9138","0.0009","12.8156","0.0005","17.636","0.0006","90","","112.655","0.002","90","","4987.9","0.3","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Cl Cu2 I2 N6 O2 -","- C50 H38 Cl Cu2 I2 N6 O2 -","- C200 H152 Cl4 Cu8 I8 N24 O8 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0965","0.0676","","","0.203","0.2208","","","","","","1.155","","","","has coordinates","231410","2020-10-21","18:00:00",""
"4003178","24.97","0.05","12.02","0.02","18.21","0.03","90","","113.5","0.03","90","","5012","15","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 Cu I N3 O2 S -","- C24 H23 Cu I N3 O2 S -","- C192 H184 Cu8 I8 N24 O16 S8 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.1996","0.0835","","","0.1672","0.2116","","","","","","0.975","","","","has coordinates","231411","2020-10-21","18:00:00",""
"4003179","24.26","0.003","12.6267","0.0012","17.8971","0.0017","90","","113.86","0.005","90","","5013.8","0.9","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cu I N4 O3 -","- C28 H22 Cu I N4 O3 -","- C224 H176 Cu8 I8 N32 O24 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0613","0.0488","","","0.1353","0.1434","","","","","","1.043","","","","has coordinates,has disorder","231412","2020-10-21","18:00:00",""
"4003180","24.404","0.003","12.3305","0.0014","17.9345","0.0019","90","","113.07","0.006","90","","4965.1","1","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu I N6 O -","- C24 H20 Cu I N6 O -","- C192 H160 Cu8 I8 N48 O8 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.1065","0.0705","","","0.1893","0.2108","","","","","","1.215","","","","has coordinates","231413","2020-10-21","18:00:00",""
"4003181","12.5823","0.0008","13.544","0.0008","17.5152","0.0011","68.665","0.002","89.462","0.002","64.914","0.002","2480.6","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Cu2 I2 N8 O2 -","- C54 H44 Cu2 I2 N8 O2 -","- C108 H88 Cu4 I4 N16 O4 -","2","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0384","0.0342","","","0.103","0.1063","","","","","","1.073","","","","has coordinates","231414","2020-10-21","18:00:00",""
"4003182","9.0462","0.0001","22.0677","0.0002","14.1102","0.0001","90","","91.134","0.001","90","","2816.25","0.04","173","0.14","173","0.14","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","x-ray","1.5418","CuKα","","0.0407","0.0383","","","0.0911","0.0927","","","","","","1.005","","","","has coordinates","231415","2020-10-21","18:00:00",""
"4003183","10.4299","0.0016","11.9506","0.0018","13.855","0.002","99.954","0.003","101.968","0.003","107.734","0.003","1556.6","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H36 -","- C44 H36 -","- C88 H72 -","2","1","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","","0.71073","MoKα","","0.0571","0.0464","","","0.1226","0.1316","","","","","","1.047","","","","has coordinates","231416","2020-10-21","18:00:00",""
"4003184","19.089","0.002","10.2565","0.0013","21.225","0.003","90","","91.282","0.002","90","","4154.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C91 H75 Cl9 O8 -","- C91 H75 Cl9 O8 -","- C182 H150 Cl18 O16 -","2","0.5","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","","0.71073","MoKα","","0.1023","0.0874","","","0.2494","0.2639","","","","","","1.09","","","","has coordinates,has disorder","231417","2020-10-21","18:00:00",""
"4003185","10.4082","0.0013","10.5164","0.0014","29.494","0.004","90","","93.522","0.002","90","","3222.2","0.7","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 -","- C44 H36 -","- C176 H144 -","4","1","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","","0.71073","MoKα","","0.0733","0.0487","","","0.1129","0.1267","","","","","","1.013","","","","has coordinates","231418","2020-10-21","18:00:00",""
"4003186","19.988","0.001","19.988","0.001","13.3947","0.0009","90","","90","","90","","5351.5","0.5","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C0.71 O2 Si -","- C0.541667 O2.33333 Si -","- C52 O224 Si96 -","96","12","","Santoro, Mario; Dziubek, Kamil; Scelta, Demetrio; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Rouquette, Jerome; Hermet, Patrick; van der Lee, Arie; Haines, Julien","High Pressure Synthesis of All-Transoid Polycarbonyl [—(C═O)—]n in a Zeolite","Chemistry of Materials","2015","27","19","6486","","10.1021/acs.chemmater.5b02596","","x-ray","1.54184","CuKα","","0.104","0.0918","","","0.2453","0.259","","","","","","1.037","","","","has coordinates","231419","2020-10-21","18:00:00",""
"4003187","4.7594","0.0016","13.444","0.003","16.816","0.006","107.754","0.014","95.034","0.016","90.919","0.019","1019.7","0.6","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 F6 N2 O4 S2 -","- C48 H44 F6 N2 O4 S2 -","- C48 H44 F6 N2 O4 S2 -","1","0.5","","Nakano, Masahiro; Osaka, Itaru; Hashizume, Daisuke; Takimiya, Kazuo","α-Modified Naphthodithiophene Diimides—Molecular Design Strategy for Air-Stable n-Channel Organic Semiconductors","Chemistry of Materials","2015","27","18","6418","","10.1021/acs.chemmater.5b02601","","","0.71073","MoKα","","0.1792","0.0956","","","0.2605","0.3132","","","","","","1.046","","","","has coordinates,has disorder","231420","2020-10-21","18:00:00",""
"4003188","5.3741","0.0011","8.3251","0.0016","18.155","0.003","93.296","0.01","93.705","0.01","98.532","0.01","799.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DC-NDTI8","DCNDTI","","- C34 H36 Cl2 N2 O4 S2 -","- C34 H36 Cl2 N2 O4 S2 -","- C34 H36 Cl2 N2 O4 S2 -","1","0.5","","Nakano, Masahiro; Osaka, Itaru; Hashizume, Daisuke; Takimiya, Kazuo","α-Modified Naphthodithiophene Diimides—Molecular Design Strategy for Air-Stable n-Channel Organic Semiconductors","Chemistry of Materials","2015","27","18","6418","","10.1021/acs.chemmater.5b02601","","","1.54187","CuKα","","0.1078","0.066","","","0.1725","0.2258","","","","","","1.158","","","","has coordinates,has disorder","231421","2020-10-21","18:00:00",""
"4003189","19.855","0.007","12.366","0.004","10.331","0.003","90","","119.994","0.008","90","","2196.8","1.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H36 Au N3 Si2 -","- C15 H36 Au N3 Si2 -","- C60 H144 Au4 N12 Si8 -","4","0.5","","Griffiths, Matthew B. E.; Koponen, Sara E.; Mandia, David J.; McLeod, Jennifer F.; Coyle, Jason P.; Sims, Jeffrey J.; Giorgi, Javier B.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Seán T.","Surfactant Directed Growth of Gold Metal Nanoplates by Chemical Vapor Deposition","Chemistry of Materials","2015","27","17","6116","","10.1021/acs.chemmater.5b02712","","","0.71073","MoKα","","0.0148","0.0142","","","0.0363","0.0366","","","","","","1.082","","","","has coordinates","231422","2020-10-21","18:00:00",""
"4003190","9.5789","0.0014","6.9929","0.001","17.858","0.003","90","","91.031","0.002","90","","1196","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Au Cl N2 -","- C9 H18 Au Cl N2 -","- C36 H72 Au4 Cl4 N8 -","4","1","","Griffiths, Matthew B. E.; Koponen, Sara E.; Mandia, David J.; McLeod, Jennifer F.; Coyle, Jason P.; Sims, Jeffrey J.; Giorgi, Javier B.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Seán T.","Surfactant Directed Growth of Gold Metal Nanoplates by Chemical Vapor Deposition","Chemistry of Materials","2015","27","17","6116","","10.1021/acs.chemmater.5b02712","","","0.71073","MoKα","","0.04","0.0258","","","0.0535","0.0588","","","","","","1.031","","","","has coordinates","231423","2020-10-21","18:00:00",""
"4003191","8.7442","0.0006","20.7536","0.0014","34.333","0.002","90","","90","","90","","6230.5","0.7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1568","0.124","","0.3313","0.3159","0.3313","","","","","","1.0478","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003192","8.777","0.006","20.772","0.014","34.38","0.02","90","","90","","90","","6268","7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1027","0.0545","","0.1315","0.1115","0.1315","","","","","","0.9012","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003193","8.681","0.004","20.723","0.007","34.341","0.013","90","","90","","90","","6178","4","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 O12 Sc2 -","- C24 H12 O12 Sc2 -","- C192 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1792","0.1578","","0.336","0.3206","0.336","","","","","","1.4507","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003194","8.7561","0.0013","20.752","0.002","34.297","0.005","90","","90","","90","","6232","1.4","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C25.8 H12 O12 Sc2 -","- C25.8 H12 O12 Sc2 -","- C206.4 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0893","0.0593","","0.1465","0.1258","0.1465","","","","","","0.9276","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003195","8.7373","0.0015","20.691","0.002","34.124","0.006","90","","90","","90","","6169.1","1.6","293","","293","","","","400000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0942","0.0744","","0.1741","0.1658","0.1741","","","","","","1.0247","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003196","8.7185","0.0007","20.7142","0.0008","34.265","0.0017","90","","90","","90","","6188.1","0.6","293","","293","","","","400000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29 H12 O12 Sc2 -","- C29 H12 O12 Sc2 -","- C232 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0933","0.0605","","0.1822","0.1472","0.1822","","","","","","0.8477","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003197","8.7578","0.0009","20.7293","0.0011","34.292","0.003","90","","90","","90","","6225.5","0.9","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 O12 Sc2 -","- C24 H12 O12 Sc2 -","- C192 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0742","0.0523","","0.1222","0.1141","0.1222","","","","","","1.0082","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003198","8.7745","0.0015","20.668","0.002","34.203","0.005","90","","90","","90","","6202.8","1.5","293","","293","","","","500000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1108","0.079","","0.1831","0.1599","0.1831","","","","","","1.0668","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003199","8.6945","0.0019","20.808","0.002","34.079","0.004","90","","90","","90","","6165.4","1.6","293","","293","","","","300000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0992","0.0688","","0.1844","0.1628","0.1844","","","","","","0.9973","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003200","8.6945","0.0019","20.808","0.002","34.079","0.004","90","","90","","90","","6165.4","1.6","293","","293","","","","700000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.092","0.0643","","0.1377","0.1222","0.1377","","","","","","0.954","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003201","8.779","0.003","20.742","0.003","34.287","0.007","90","","90","","90","","6243","3","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.5 H12 O12 Sc2 -","- C28.5 H12 O12 Sc2 -","- C228 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0973","0.0579","","0.1602","0.1284","0.1602","","","","","","0.8839","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003202","8.779","0.003","20.742","0.003","34.287","0.007","90","","90","","90","","6243","3","293","","293","","","","500000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1108","0.0774","","0.1447","0.1292","0.1447","","","","","","1.0493","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003203","8.779","0.003","20.742","0.003","34.287","0.007","90","","90","","90","","6243","3","293","","293","","","","800000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0999","0.0722","","0.1467","0.127","0.1467","","","","","","1.1091","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003204","8.8022","0.0002","4.603","0.0001","22.6036","0.0004","90","","90.6026","0.0008","90","","915.77","0.03","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NSz2T","NSz2T","","- C20 H12 N4 S2 Se2 -","- C20 H12 N4 S2 Se2 -","- C40 H24 N8 S4 Se4 -","2","0.5","","Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo","Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers","Chemistry of Materials","2015","27","19","6558","","10.1021/acs.chemmater.5b03124","","","1.54187","CuKα","","0.0386","0.0364","","","0.094","0.1057","","","","","","0.896","","","","has coordinates","231425","2020-10-21","18:00:00",""
"4003205","11.7955","0.0015","8.5619","0.0009","18.814","0.002","90","","106.722","0.0013","90","","1819.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","NTz2T","NTz2T","","- C20 H12 N4 S4 -","- C20 H12 N4 S4 -","- C80 H48 N16 S16 -","4","0.5","","Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo","Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers","Chemistry of Materials","2015","27","19","6558","","10.1021/acs.chemmater.5b03124","","","0.7107","MoKα","","0.0499","0.0398","","","0.1043","0.1123","","","","","","0.745","","","","has coordinates","231426","2020-10-21","18:00:00",""
"4003206","4.7463","0.0001","10.0444","0.0002","17.8813","0.0003","90","","96.1637","0.0013","90","","847.54","0.03","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NOz2T","NOz2T","","- C20 H12 N4 O2 S2 -","- C20 H12 N4 O2 S2 -","- C40 H24 N8 O4 S4 -","2","0.5","","Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo","Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers","Chemistry of Materials","2015","27","19","6558","","10.1021/acs.chemmater.5b03124","","","1.54187","CuKα","","0.0543","0.0451","","","0.1123","0.1195","","","","","","1.05","","","","has coordinates","231427","2020-10-21","18:00:00",""
"4003207","6.1351","0.0001","8.9483","0.0002","12.4437","0.0003","93.009","0.001","99.232","0.001","94.8946","0.0016","670.31","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N6 S2 Sn2 -","- C22 H34 N6 S2 Sn2 -","- C22 H34 N6 S2 Sn2 -","1","0.5","","Ahmet, Ibbi Y.; Hill, Michael S.; Johnson, Andrew L.; Peter, Laurence M.","Polymorph-Selective Deposition of High Purity SnS Thin Films from a Single Source Precursor","Chemistry of Materials","2015","27","22","7680","","10.1021/acs.chemmater.5b03220","","","0.71073","MoKα","","0.0467","0.0437","","","0.1103","0.1118","","","","","","1.174","","","","has coordinates","231428","2020-10-21","18:00:00",""
"4003208","3.629473","","9.812765","","18.426905","","90","","90","","118.042","","579.231","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","","","- C5 N5 O -","- C20 N20 O4 -","- C20 N20 O4 -","1","0.25","","Hirsch, Anna; Gur, Dvir; Polishchuk, Iryna; Levy, Davide; Pokroy, Boaz; Cruz-Cabeza, Aurora J.; Addadi, Lia; Kronik, Leeor; Leiserowitz, Leslie","“Guanigma”: The Revised Structure of Biogenic Anhydrous Guanine","Chemistry of Materials","2015","27","24","8289","","10.1021/acs.chemmater.5b03549","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","231429","2020-10-21","18:00:00",""
"4003209","11.824","0.005","11.824","0.005","11.824","0.005","90","","90","","90","","1653.1","1.2","100","","100","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C0.17 H0.5 F0.1 N0.04 O2 Si -","- C0.1666 H0.4998 F0.10325 N0.0416667 O2 Si -","- C3.9984 H11.9952 F2.478 N O48 Si24 -","24","0.5","","Boal, Ben W.; Schmidt, Joel E.; Deimund, Mark A.; Deem, Michael W.; Henling, Lawrence M.; Brand, Stephen K.; Zones, Stacey I.; Davis, Mark E.","Facile Synthesis and Catalysis of Pure-Silica and Heteroatom LTA","Chemistry of Materials","2015","27","22","7774","","10.1021/acs.chemmater.5b03579","","","0.71073","MoKα","","0.0427","0.0296","","","0.075","0.0798","","","","","","1.123","","","","has coordinates,has disorder","231430","2020-10-21","18:00:00",""
"4003210","11.857","0.004","11.857","0.004","11.857","0.004","90","","90","","90","","1667","1","100","","100","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- O2 Si -","- O2 Si -","- O48 Si24 -","24","0.5","","Boal, Ben W.; Schmidt, Joel E.; Deimund, Mark A.; Deem, Michael W.; Henling, Lawrence M.; Brand, Stephen K.; Zones, Stacey I.; Davis, Mark E.","Facile Synthesis and Catalysis of Pure-Silica and Heteroatom LTA","Chemistry of Materials","2015","27","22","7774","","10.1021/acs.chemmater.5b03579","","","0.71073","MoKα","","0.085","0.0449","","","0.0833","0.0933","","","","","","1.152","","","","has coordinates","231431","2020-10-21","18:00:00",""
"4003211","11.813","0.003","11.813","0.003","11.813","0.003","90","","90","","90","","1648.5","0.7","100","","100","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- F0.08 O2 Si -","- F0.08425 O2 Si -","- F2.022 O48 Si24 -","24","0.5","","Boal, Ben W.; Schmidt, Joel E.; Deimund, Mark A.; Deem, Michael W.; Henling, Lawrence M.; Brand, Stephen K.; Zones, Stacey I.; Davis, Mark E.","Facile Synthesis and Catalysis of Pure-Silica and Heteroatom LTA","Chemistry of Materials","2015","27","22","7774","","10.1021/acs.chemmater.5b03579","","","0.71073","MoKα","","0.0623","0.0497","","","0.1145","0.1188","","","","","","1.099","","","","has coordinates","231432","2020-10-21","18:00:00",""
"4003212","5.0182","0.0006","5.0182","0.0006","8.355","0.002","90","","90","","120","","182.21","0.05","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C F K O3 Zn -","- C F K O3 Zn -","- C2 F2 K2 O6 Zn2 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0107","0.0106","","","0.0233","0.0234","","","","","","1.018","","","","has coordinates","231433","2020-10-21","18:00:00",""
"4003213","5.1349","0.0013","5.1349","0.0013","8.846","0.004","90","","90","","120","","202","0.12","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C Cd F K O3 -","- C Cd F K O3 -","- C2 Cd2 F2 K2 O6 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0105","0.0104","","","0.0247","0.0247","","","","","","1.227","","","","has coordinates","231434","2020-10-21","18:00:00",""
"4003214","5.2109","0.0007","5.2109","0.0007","9.0645","0.0019","90","","90","","120","","213.16","0.06","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C Cd F O3 Rb -","- C Cd F O3 Rb -","- C2 Cd2 F2 O6 Rb2 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0128","0.0116","","","0.0244","0.025","","","","","","1.183","","","","has coordinates","231435","2020-10-21","18:00:00",""
"4003215","5.1035","0.0009","5.1035","0.0009","8.619","0.004","90","","90","","120","","194.41","0.1","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C F O3 Rb Zn -","- C F O2.997 Rb Zn -","- C2 F2 O5.994 Rb2 Zn2 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0228","0.0172","","","0.032","0.0332","","","","","","1.01","","","","has coordinates,has disorder","231436","2020-10-21","18:00:00",""
"4003216","30.4638","0.0003","30.4638","0.0003","44.2772","0.0007","90","","90","","90","","41091.2","0.9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C33 H24 Cu3 N6 O18 -","- C33 H18 Cu3 N6 O18 -","- C528 H288 Cu48 N96 O288 -","16","1","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.1083","0.0764","","","0.2187","0.258","","","","","","0.974","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003217","30.5919","0.0007","30.5919","0.0007","44.8181","0.0019","90","","90","","90","","41944","2","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C33 H24 N6 O18 Zn3 -","- C33 H18 N6 O18 Zn3 -","- C528 H288 N96 O288 Zn48 -","16","1","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.139","0.0931","","","0.2665","0.3265","","","","","","1.034","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003218","33.9803","0.0005","33.9803","0.0005","33.9803","0.0005","90","","90","","90","","39235.7","1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C60 H42 N12 O19 Zn4 -","- C60 H42 N12 O19 Zn4 -","- C240 H168 N48 O76 Zn16 -","4","0.166667","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.2716","0.1684","","","0.3433","0.3897","","","","","","1.08","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003219","24.4186","0.0005","24.4186","0.0005","55.4757","0.0011","90","","90","","120","","28646.7","1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C60 H48 In3 N12 O22 -","- C60 H42 In3 N12 O22 -","- C180 H126 In9 N36 O66 -","3","0.5","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.1078","0.0627","","","0.1506","0.1905","","","","","","0.899","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003220","14.691","0.003","14.818","0.003","17.713","0.004","98.13","0.03","93.1","0.03","115.29","0.03","3423","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","MnAQDC","'Mn7(2,7-AQDC)6(2,6-AQDC)(DMA)6'","","- C136 H96 Mn7 N6 O48 -","- C136 H96 Mn7 N6 O48 -","- C136 H96 Mn7 N6 O48 -","1","0.5","","Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio","Discovery of a “Bipolar Charging” Mechanism in the Solid-State Electrochemical Process of a Flexible Metal‒Organic Framework","Chemistry of Materials","2016","28","5","1298","","10.1021/acs.chemmater.5b04075","","","0.71073","MoKα","","0.4365","0.2141","","","0.4587","0.5737","","","","","","1.068","","","","has coordinates","231438","2020-10-21","18:00:00",""
"4003221","14.615","0.003","16.585","0.003","20.559","0.004","99.33","0.03","107.46","0.03","100.74","0.03","4542","2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","MnAQDC","'Mn7(2,7-AQDC)7(2,6-AQDC)(DMA)6'","","- C130 H78 Mn7 N4 O48 -","- C130 H78 Mn7 N4 O48 -","- C130 H78 Mn7 N4 O48 -","1","0.5","","Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio","Discovery of a “Bipolar Charging” Mechanism in the Solid-State Electrochemical Process of a Flexible Metal‒Organic Framework","Chemistry of Materials","2016","28","5","1298","","10.1021/acs.chemmater.5b04075","","","0.71073","MoKα","","0.1727","0.1006","","","0.2658","0.321","","","","","","0.941","","","","has coordinates","231439","2020-10-21","18:00:00",""
"4003222","21.847","0.005","21.847","","6.8729","0.0021","90","","90","","120","","2840.9","1.1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D11.14 Fe O3 -","- C7 H D11.13 Fe O3 -","- C42 H6 D66.78 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.09831","","1.55","","","","","","","has coordinates","231440","2020-10-21","18:00:00",""
"4003223","21.831","0.004","21.831","","6.8543","0.0022","90","","90","","120","","2829.1","1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D3.74 Fe O3 -","- C7 H D3.74 Fe O3 -","- C42 H6 D22.44 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.06852","","1.33","","","","","","","has coordinates","231441","2020-10-21","18:00:00",""
"4003224","21.813","0.005","21.813","","6.8688","0.0021","90","","90","","120","","2830.4","1.1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D7.64 Fe O3 -","- C7 H D7.64 Fe O3 -","- C42 H6 D45.84 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.05963","","1.62","","","","","","","has coordinates","231442","2020-10-21","18:00:00",""
"4003225","21.7036","0.0005","21.7036","0.0005","6.844","0.0002","90","","90","","120","","2791.93","0.12","100","","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Co2(dobpdc)(DEF)2","","","- C24 H28 Co2 N2 O8 -","- C24 H28 Co2 N2 O8 -","- C72 H84 Co6 N6 O24 -","3","0.5","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","","","0.8856","synchrotron","","0.0604","0.0537","","","0.1515","0.1558","","","","","","1.126","","","","has coordinates,has disorder","231443","2020-10-21","18:00:00",""
"4003226","21.848","0.004","21.848","","6.8136","0.0025","90","","90","","120","","2816.6","1.2","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H0.98 D2.02 Fe O3 -","- C7 H0.976 D2.024 Fe O3 -","- C42 H5.856 D12.144 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.06722","","1.3","","","","","","","has coordinates","231444","2020-10-21","18:00:00",""
"4003227","21.823","0.004","21.823","","6.8695","0.0022","90","","90","","120","","2833.2","1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D5.2 Fe O3 -","- C7 H D5.2 Fe O3 -","- C42 H6 D31.2 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.05471","","1.33","","","","","","","has coordinates","231445","2020-10-21","18:00:00",""
"4003228","4.7647","0.0004","7.7093","0.0006","48.853","0.004","90","","91.616","0.006","90","","1793.8","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Fu, Chaoying; Lin, Hua-ping; Macleod, Jennifer M.; Krayev, Andrey; Rosei, Federico; Perepichka, Dmitrii F.","Unravelling the Self-Assembly of Hydrogen Bonded NDI Semiconductors in 2D and 3D","Chemistry of Materials","2016","28","3","951","","10.1021/acs.chemmater.5b04706","","x-ray","1.54178","CuKα","","0.1986","0.1413","","","0.3651","0.3983","","","","","","1.23","","","","has coordinates","231446","2020-10-21","18:00:00",""
"4003229","10.122","0.002","16.708","0.003","14.856","0.003","90","","108.14","0.03","90","","2387.6","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","WO2(tBuNC(Me)CtBu)2","","- C20 H42 N4 O2 W -","- C20 H42 N4 O2 W -","- C80 H168 N16 O8 W4 -","4","1","","Mouat, Aidan R.; Mane, Anil U.; Elam, Jeffrey W.; Delferro, Massimiliano; Marks, Tobin J.; Stair, Peter C.","Volatile Hexavalent Oxo-amidinate Complexes: Molybdenum and Tungsten Precursors for Atomic Layer Deposition","Chemistry of Materials","2016","28","6","1907","","10.1021/acs.chemmater.6b00248","","","0.71073","MoKα","","0.0359","0.0338","","","0.1079","0.1105","","","","","","1.071","","","","has coordinates,has disorder","231447","2020-10-21","18:00:00",""
"4003230","10.129","0.002","16.708","0.003","14.87","0.003","90","","107.8","0.03","90","","2396.1","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(tBuNC(Me)NtBu)2MoO2","","- C20 H42 Mo N4 O2 -","- C20 H42 Mo N4 O2 -","- C80 H168 Mo4 N16 O8 -","4","1","","Mouat, Aidan R.; Mane, Anil U.; Elam, Jeffrey W.; Delferro, Massimiliano; Marks, Tobin J.; Stair, Peter C.","Volatile Hexavalent Oxo-amidinate Complexes: Molybdenum and Tungsten Precursors for Atomic Layer Deposition","Chemistry of Materials","2016","28","6","1907","","10.1021/acs.chemmater.6b00248","","","0.71073","MoKα","","0.0406","0.0397","","","0.1199","0.1213","","","","","","1.107","","","","has coordinates,has disorder","231448","2020-10-21","18:00:00",""
"4003231","10.76","0.002","24.074","0.005","12.908","0.003","90","","97.8","0.03","90","","3312.7","1.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","W2O2(u2-O)2(tBuAMD)2","","- C25 H53 N4 O4 W2 -","- C25 H53 N4 O4 W2 -","- C100 H212 N16 O16 W8 -","4","1","","Mouat, Aidan R.; Mane, Anil U.; Elam, Jeffrey W.; Delferro, Massimiliano; Marks, Tobin J.; Stair, Peter C.","Volatile Hexavalent Oxo-amidinate Complexes: Molybdenum and Tungsten Precursors for Atomic Layer Deposition","Chemistry of Materials","2016","28","6","1907","","10.1021/acs.chemmater.6b00248","","","0.71073","MoKα","","0.0987","0.078","","","0.1952","0.2111","","","","","","1.071","","","","has coordinates","231449","2020-10-21","18:00:00",""
"4003232","8.0892","0.0008","15.9002","0.0017","3.5273","0.0004","90","","101.662","0.01","90","","444.32","0.08","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C3 Ca2 F Na3 O9 -","- C3 Ca2 F Na3 O9 -","- C6 Ca4 F2 Na6 O18 -","2","0.5","","Luo, Min; Song, Yunxia; Lin, Chensheng; Ye, Ning; Cheng, Wendan; Long, XiFa","Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material","Chemistry of Materials","2016","28","7","2301","","10.1021/acs.chemmater.6b00360","","","0.71073","MoKα","","0.0224","0.0213","","","0.0423","0.0427","","","","","","1.076","","","","has coordinates","231450","2020-10-21","18:00:00",""
"4003233","12.9","0.03","7.972","0.01","20.23","0.02","90","","100.25","0.07","90","","2047","6","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 I5 Pb2 S4 -","- C6 I5 Pb2 S4 -","- C24 I20 Pb8 S16 -","4","1","","Evans, Hayden A.; Lehner, Anna J.; Labram, John G.; Fabini, Douglas H.; Barreda, Omar; Smock, Sara R.; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram; Wudl, Fred","(TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures","Chemistry of Materials","2016","28","11","3607","","10.1021/acs.chemmater.6b00633","","","0.71073","MoKα","","0.203","0.0643","","","0.0872","0.1195","","","","","","0.945","","","","has coordinates","231451","2020-10-21","18:00:00",""
"4003234","8.947","0.0004","39.347","0.002","8.8589","0.0006","90","","90","","90","","3118.7","0.3","293","2","","","","","","","","","","5","C c 2 m","C -2c -2c","40","Butylammonium Methylammonium Lead Iodide","","","- C9 H30 I7 N3 Pb2 -","- C9 H30 I7 N3 Pb2 -","- C36 H120 I28 N12 Pb8 -","4","0.5","","Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.","Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors","Chemistry of Materials","2016","28","8","2852","","10.1021/acs.chemmater.6b00847","","","","","","0.0632","0.0529","","","0.1394","0.1478","","","","","","1.145","","","","has coordinates","231452","2020-10-21","18:00:00",""
"4003235","8.9275","0.0006","51.959","0.004","8.8777","0.0006","90","","90","","90","","4118","0.5","293","2","","","","","","","","","","5","C 2 e b","C -2ac 2","41","Butylammonium Methylammonium Lead Iodide","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","0.5","","Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.","Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors","Chemistry of Materials","2016","28","8","2852","","10.1021/acs.chemmater.6b00847","","","","","","0.1234","0.0781","","","0.1748","0.1997","","","","","","1.103","","","","has coordinates","231452","2020-10-21","18:00:00",""
"4003236","8.9274","0.0004","64.383","0.003","8.8816","0.0004","90","","90","","90","","5104.9","0.4","293","2","293","2","","","","","","","","5","C c 2 m","C -2c -2c","40","Bytulammonium Methylammonium Lead iodide","","","- C11 H42 I13 N5 Pb4 -","- C11 H42 I13 N5 Pb4 -","- C44 H168 I52 N20 Pb16 -","4","0.5","","Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.","Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors","Chemistry of Materials","2016","28","8","2852","","10.1021/acs.chemmater.6b00847","","","0.71073","MoKα","","0.0864","0.0431","","","0.1123","0.1387","","","","","","0.986","","","","has coordinates","231452","2020-10-21","18:00:00",""
"4003237","12.2088","0.0008","19.5943","0.0012","12.295","0.0008","90","","99.209","0.003","90","","2903.3","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 Cl4 F2 N4 O8 -","- C64 H60 Cl4 F2 N4 O8 -","- C128 H120 Cl8 F4 N8 O16 -","2","0.5","","Chen, Hu; Bryant, Daniel; Troughton, Joel; Kirkus, Mindaugas; Neophytou, Marios; Miao, Xiaohe; Durrant, James R.; McCulloch, Iain","One-Step Facile Synthesis of a Simple Hole Transport Material for Efficient Perovskite Solar Cells","Chemistry of Materials","2016","28","8","2515","","10.1021/acs.chemmater.6b00858","","","1.54178","CuKα","","0.0558","0.0492","","","0.1316","0.1367","","","","","","1.044","","","","has coordinates","231453","2020-10-21","18:00:00",""
"4003238","20.1106","0.0017","7.3879","0.0006","24.51","0.002","90","","90","","90","","3641.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urorosein Sulfate Acetate","3H-indol-1-ium-3-ylmethylene-3H-indol-1-ium","","- C19 H18 N2 O6 S -","- C19 H18 N2 O6 S -","- C152 H144 N16 O48 S8 -","8","1","","Hall, Victoria M.; Cox, Kristin A.; Sours, Ryan E.; Swift, Jennifer A.","Urochrome Pigment in Uric Acid Crystals","Chemistry of Materials","2016","28","11","3862","","10.1021/acs.chemmater.6b00977","","","0.41328","synchrotron","","0.0965","0.0479","","","0.092","0.1088","","","","","","1.035","","","","has coordinates","231454","2020-10-21","18:00:00",""
"4003239","17.1512","0.0006","21.8564","0.0007","4.5358","0.0002","90","","90","","90","","1700.31","0.11","100","","100","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C8 H26 I8 N4 O2 Pb3 -","- C8 H26 I8 N4 O2 Pb3 -","- C16 H52 I16 N8 O4 Pb6 -","2","0.25","","Umeyama, Daiki; Lin, Yu; Karunadasa, Hemamala I.","Red-to-Black Piezochromism in a Compressible Pb‒I‒SCN Layered Perovskite","Chemistry of Materials","2016","28","10","3241","","10.1021/acs.chemmater.6b01147","","","0.71073","MoKα","","0.0255","0.0221","","","0.045","0.0459","","","","","","1.11","","","","has coordinates,has disorder","231455","2020-10-21","18:00:00",""
"4003240","8.533","0.003","8.835","0.003","10.245","0.003","76.559","0.01","66.59","0.009","85.826","0.013","689.2","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 N2 O8 S2 Zn -","- C10 H10 N2 O8 S2 Zn -","- C20 H20 N4 O16 S4 Zn2 -","2","1","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0325","0.0311","","","0.1068","0.1093","","","","","","0.946","","","","has coordinates","231456","2020-10-21","18:00:00",""
"4003241","14.352","0.009","14.352","0.009","9.142","0.006","90","","90","","90","","1883","2","223","2","223","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H22 N4 O8 S2 Zn -","- C12 H22 N4 O8 S2 Zn -","- C48 H88 N16 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0904","0.0646","","","0.1475","0.1595","","","","","","1.095","","","","has coordinates","231457","2020-10-21","18:00:00",""
"4003242","14.489","0.008","14.489","0.008","9.173","0.005","90","","90","","90","","1925.7","1.8","433","2","433","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H22 N4 O8 S2 Zn -","- C12 H22 N4 O8 S2 Zn -","- C48 H88 N16 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0715","0.0472","","","0.1084","0.1164","","","","","","1.145","","","","has coordinates","231458","2020-10-21","18:00:00",""
"4003243","17.309","0.008","9.215","0.003","9.142","0.004","90","","118.615","0.018","90","","1280.1","0.9","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H16 N2 O8 S2 Zn -","- C4 H16 N2 O8 S2 Zn -","- C16 H64 N8 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0278","0.0268","","","0.0954","0.0977","","","","","","0.877","","","","has coordinates","231459","2020-10-21","18:00:00",""
"4003244","32.65","0.006","9.5","0.0019","35.77","0.007","90","","108.44","0.03","90","","10525","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C392 H512 F12 N32 O62 -","- C392 H512 F12 N32 O62 -","- C392 H512 F12 N32 O62 -","1","0.5","","Pellach, Michal; Mondal, Sudipta; Shimon, Linda J. W.; Adler-Abramovich, Lihi; Buzhansky, Ludmila; Gazit, Ehud","Molecular Engineering of Self-Assembling Diphenylalanine Analogues Results in the Formation of Distinctive Microstructures","Chemistry of Materials","2016","28","12","4341","","10.1021/acs.chemmater.6b01322","","","0.7","synchrotron","","0.1114","0.1082","","","0.3159","0.32","","","","","","1.714","","","","has coordinates","231460","2020-10-21","18:00:00",""
"4003245","15.6387","0.0007","11.6835","0.0005","16.3316","0.0011","90","","117.909","0.002","90","","2637","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C120 H144 N12 O18 -","6","3","","Pellach, Michal; Mondal, Sudipta; Shimon, Linda J. W.; Adler-Abramovich, Lihi; Buzhansky, Ludmila; Gazit, Ehud","Molecular Engineering of Self-Assembling Diphenylalanine Analogues Results in the Formation of Distinctive Microstructures","Chemistry of Materials","2016","28","12","4341","","10.1021/acs.chemmater.6b01322","","","0.71073","MoKα","","0.0654","0.0552","","","0.1204","0.1274","","","","","","1.106","","","","has coordinates","231461","2020-10-21","18:00:00",""
"4003246","14.699","0.004","14.699","0.004","19.102","0.005","90","","90","","120","","3574.3","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0109","0.0109","","","0.0295","0.0295","","","","","","1.092","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003247","14.739","0.005","14.739","0.005","19.17","0.005","90","0.005","90","0.005","120","0.005","3607","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br0.81 Cl5.19 N3 -","- C12 H36 Bi Br0.798 Cl5.202 N3 -","- C72 H216 Bi6 Br4.788 Cl31.212 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71073","MoKα","","0.0155","0.0154","","","0.0379","0.038","","","","","","1.067","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003248","14.796","0.005","14.796","0.005","19.268","0.005","90","0.005","90","0.005","120","0.005","3653","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br1.53 Cl4.47 N3 -","- C12 H36 Bi Br1.5288 Cl4.4712 N3 -","- C72 H216 Bi6 Br9.1728 Cl26.8272 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0107","0.0105","","","0.0276","0.0277","","","","","","0.938","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003249","14.848","0.005","14.848","0.005","19.363","0.005","90","0.005","90","0.005","120","0.005","3697","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br2.31 Cl3.69 N3 -","- C12 H36 Bi Br2.313 Cl3.687 N3 -","- C72 H216 Bi6 Br13.878 Cl22.122 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0129","0.0123","","","0.0299","0.0302","","","","","","0.912","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003250","15.076","0.005","15.076","0.005","19.631","0.005","90","0.005","90","0.005","120","0.005","3864","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br5.08 Cl0.92 N3 -","- C12 H36 Bi Br5.079 Cl0.921 N3 -","- C72 H216 Bi6 Br30.474 Cl5.526 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0213","0.0186","","","0.0332","0.0338","","","","","","0.969","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003251","15.166","0.005","15.166","0.005","19.733","0.005","90","0.005","90","0.005","120","0.005","3931","2","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br6 N3 -","- C12 H36 Bi Br6 N3 -","- C72 H216 Bi6 Br36 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0156","0.0146","","","0.0302","0.0304","","","","","","0.911","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003252","13.8553","0.0001","17.3992","0.0002","5.03855","0.00005","90","","90","","90","","1214.65","0.02","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","polyacetylene/TON","","","- C4 O24 Si12 -","- C4.008 O24 Si12 -","- C8.016 O48 Si24 -","2","0.25","","Santoro, Mario; Scelta, Demetrio; Dziubek, Kamil; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Garbarino, Gaston; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Hermet, Patrick; Rouquette, Jerome; van der Lee, Arie; Haines, Julien","Synthesis of 1D Polymer/Zeolite Nanocomposites under High Pressure","Chemistry of Materials","2016","28","11","4065","","10.1021/acs.chemmater.6b01639","powder diffraction","","0.415352","synchrotron","","","","","","","","","4.1515","0.845","","","","","","","has coordinates","231463","2020-10-21","18:00:00",""
"4003253","13.8867","0.0004","17.4429","0.0009","5.04748","0.00019","90","","90","","90","","1222.62","0.09","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","polycarbon monoxide/TON","","","- C1.2 O25.2 Si12 -","- C1.204 O25.204 Si12 -","- C2.408 O50.408 Si24 -","2","0.25","","Santoro, Mario; Scelta, Demetrio; Dziubek, Kamil; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Garbarino, Gaston; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Hermet, Patrick; Rouquette, Jerome; van der Lee, Arie; Haines, Julien","Synthesis of 1D Polymer/Zeolite Nanocomposites under High Pressure","Chemistry of Materials","2016","28","11","4065","","10.1021/acs.chemmater.6b01639","powder diffraction","","0.415352","synchrotron","","","","","","","","","3.0518","0.25","","","","","","","has coordinates","231464","2020-10-21","18:00:00",""
"4003254","13.61328","0.00022","13.61328","","20.249","0.0004","90","","90","","120","","3249.82","0.08","295","","295","","","","","","","","","7","P -3 1 c","-P 3 2c","163","SAPO-56 as-prepared dehydrated","","","- C6.13 H13.23 Al4 N1.4 O16 P3 Si -","- C6.134 H13.234 Al4 N1.614 O16 P3 Si -","- C36.804 H79.404 Al24 N9.684 O96 P18 Si6 -","6","0.5","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.12215","","1.36","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003255","13.7594","0.00031","13.7594","","19.761","0.001","90","","90","","120","","3239.95","0.18","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO-56 calcined dehydrated(trimethylamine,diDABCO-C4)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al24 O96 P18 Si6 -","24","2","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.15609","","1.55","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003256","13.64075","0.00031","13.64075","","45.4999","0.0013","90","","90","","120","","7331.9","0.3","295","","295","","","","","","","","","7","R -3 :H","-R 3","148","SAPO-SFW as-prepared dehydrated","","","- C3.78 H8.43 Al3 N0.74 O12 P2.25 Si0.75 -","- C3.7814 H8.4318 Al3 N0.9368 O12 P2.25 Si0.75 -","- C68.0652 H151.772 Al54 N16.8624 O216 P40.5 Si13.5 -","18","1","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.12935","","1.96","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003257","13.7954","0.00018","13.7954","","44.6461","0.0015","90","","90","","120","","7358.4","0.3","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C6)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.04869","","1.64","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003258","13.8077","0.0005","13.8077","","9.9138","0.0005","90","","90","","120","","1636.87","0.1","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO GME calcined dehydrated","","","- Al12 O48 P8.4 Si3.6 -","- Al12 O48 P8.4 Si3.6 -","- Al12 O48 P8.4 Si3.6 -","1","0.0833333","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.06231","","1.41","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003259","13.78419","0.00017","13.78419","0.00017","44.5996","0.0015","90","","90","","120","","7338.8","0.3","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C7)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.03949","","1.37","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003260","13.79468","0.00013","13.79468","","44.6557","0.0009","90","","90","","120","","7359.2","0.16","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C8)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.06715","","1.65","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003261","9.2363","0.0013","8.0254","0.0011","13.7678","0.0019","90","","101.054","0.002","90","","1001.6","0.2","210","2","210","2","","","101.3","","","","Sigma","4","P 1 21/n 1","-P 2yn","14","210K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.0602","0.0472","","","0.1224","0.1311","","","","","","1.067","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003262","9.0205","0.0006","8.5963","0.0004","14.2881","0.0008","90","","107.101","0.003","90","","1058.96","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","200K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0292","0.0245","","","0.055","0.0574","","","","","","1.036","","","","has coordinates","231467","2020-10-21","18:00:00",""
"4003263","9.0605","0.0003","8.6754","0.0002","14.2921","0.0005","90","","106.832","0.002","90","","1075.28","0.06","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","260K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0452","0.0334","","","0.075","0.0814","","","","","","1.022","","","","has coordinates","231468","2020-10-21","18:00:00",""
"4003264","9.0683","0.0003","8.6955","0.0002","14.2945","0.0005","90","","106.751","0.002","90","","1079.34","0.06","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","273K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0514","0.0354","","","0.0795","0.0879","","","","","","1.028","","","","has coordinates","231469","2020-10-21","18:00:00",""
"4003265","9.0082","0.0006","8.5752","0.0005","14.2853","0.0008","90","","107.142","0.003","90","","1054.48","0.11","180","2","180.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","180K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0252","0.0221","","","0.0489","0.0505","","","","","","1.03","","","","has coordinates","231470","2020-10-21","18:00:00",""
"4003266","9.1465","0.0001","8.4358","0.0001","13.6024","0.0002","90","","104.915","0.001","90","","1014.17","0.02","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","240K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0779","0.0552","","","0.167","0.1839","","","","","","1.095","","","","has coordinates,has disorder","231471","2020-10-21","18:00:00",""
"4003267","9.1309","0.0002","8.4825","0.0001","13.6493","0.0002","90","","104.776","0.001","90","","1022.22","0.03","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","273K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0844","0.0579","","","0.1714","0.1915","","","","","","1.071","","","","has coordinates,has disorder","231472","2020-10-21","18:00:00",""
"4003268","9.1488","0.0015","8.1812","0.0013","13.928","0.002","90","","101.529","0.002","90","","1021.5","0.3","260","2","260","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","260K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.1035","0.0737","","","0.2245","0.2492","","","","","","1.084","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003269","9.1539","0.0001","8.4091","0.0001","13.5804","0.0002","90","","104.987","0.001","90","","1009.81","0.02","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","220K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0749","0.0557","","","0.1644","0.1783","","","","","","1.086","","","","has coordinates,has disorder","231474","2020-10-21","18:00:00",""
"4003270","9.1653","0.0002","8.3545","0.0002","13.5416","0.0003","90","","105.108","0.001","90","","1001.06","0.04","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","180K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0778","0.0639","","","0.1752","0.1847","","","","","","1.095","","","","has coordinates,has disorder","231475","2020-10-21","18:00:00",""
"4003271","9.2668","0.0013","7.9623","0.0011","13.7151","0.0019","90","","100.907","0.002","90","","993.7","0.2","180","2","180","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","180K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.0492","0.0406","","","0.1031","0.1087","","","","","","1.085","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003272","9.0471","0.0004","8.647","0.0003","14.2901","0.0005","90","","106.938","0.002","90","","1069.42","0.07","240","2","240.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","240K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0386","0.0308","","","0.0692","0.0733","","","","","","1.032","","","","has coordinates","231477","2020-10-21","18:00:00",""
"4003273","9.1378","0.0001","8.4636","0.0001","13.6287","0.0002","90","","104.84","0.001","90","","1018.87","0.02","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","260K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0829","0.0561","","","0.1752","0.1947","","","","","","1.093","","","","has coordinates,has disorder","231478","2020-10-21","18:00:00",""
"4003274","9.162","0.0001","8.3819","0.0001","13.5583","0.0002","90","","105.053","0.001","90","","1005.48","0.02","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","200K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0703","0.0559","","","0.1615","0.1727","","","","","","1.092","","","","has coordinates,has disorder","231479","2020-10-21","18:00:00",""
"4003275","9.1231","0.0014","8.2311","0.0013","13.982","0.002","90","","101.676","0.002","90","","1028.2","0.3","273","2","273","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","273K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.1167","0.0823","","","0.2599","0.2926","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003276","9.1902","0.0015","8.1108","0.0013","13.853","0.002","90","","101.313","0.002","90","","1012.5","0.3","240","2","240","2","","","101.3","","","","Sigma","4","P 1 21/n 1","-P 2yn","14","240K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.0821","0.0604","","","0.1757","0.193","","","","","","1.113","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003277","9.0319","0.0005","8.6191","0.0004","14.286","0.0007","90","","107.033","0.002","90","","1063.34","0.09","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","220K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0331","0.0272","","","0.0591","0.0622","","","","","","1.024","","","","has coordinates","231482","2020-10-21","18:00:00",""
"4003278","20.9002","0.0018","8.6559","0.0007","6.2386","0.0006","90","","90","","90","","1128.63","0.17","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H12 S2 -","- C14 H12 S2 -","- C56 H48 S8 -","4","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.0738","0.063","","","0.1865","0.1945","","","","","","1.147","","","","has coordinates","231483","2020-10-21","18:00:00",""
"4003279","22.031","0.004","8.6634","0.0014","6.8845","0.001","90","","90","","90","","1314","0.4","100","2","99.99","","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.1107","0.0988","","","0.2546","0.2626","","","","","","1.186","","","","has coordinates","231484","2020-10-21","18:00:00",""
"4003280","10.5548","0.0013","8.0291","0.001","6.8298","0.0009","90","","98.038","0.008","90","","573.11","0.13","100","2","99.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 S2 -","- C14 H12 S2 -","- C28 H24 S4 -","2","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.0437","0.0378","","","0.0965","0.1005","","","","","","1.126","","","","has coordinates","231485","2020-10-21","18:00:00",""
"4003281","9.246","0.003","10.857","0.003","60.062","0.016","90","","90","","90","","6029","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(2-methyl-5-(4-(phenylcarbarylmethyl)phenyl)-3-thienyl)-2-(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C35 H25 F6 N O2 S2 -","- C35 H25 F6 N O2 S2 -","- C280 H200 F48 N8 O16 S16 -","8","1","","Kitagawa, Daichi; Okuyama, Tomohiro; Tanaka, Rika; Kobatake, Seiya","Photoinduced Rapid and Explosive Fragmentation of Diarylethene Crystals Having Urethane Bonding","Chemistry of Materials","2016","28","14","4889","","10.1021/acs.chemmater.6b02017","","","0.71075","MoKα","","0.1074","0.0942","","","0.2454","0.2616","","","","","","1.014","","","","has coordinates,has disorder","231486","2020-10-21","18:00:00",""
"4003282","32.197","0.019","9.269","0.005","10.859","0.006","90","","98.61","0.05","90","","3204","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2-methyl-5-(4-(benzylcarbarylmethyl)phenyl)-3-thienyl)-2-(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C36 H27 F6 N O2 S2 -","- C36 H27 F6 N O2 S2 -","- C144 H108 F24 N4 O8 S8 -","4","1","","Kitagawa, Daichi; Okuyama, Tomohiro; Tanaka, Rika; Kobatake, Seiya","Photoinduced Rapid and Explosive Fragmentation of Diarylethene Crystals Having Urethane Bonding","Chemistry of Materials","2016","28","14","4889","","10.1021/acs.chemmater.6b02017","","","0.71075","MoKα","","0.0749","0.0632","","","0.1843","0.1901","","","","","","1.087","","","","has coordinates","231486","2020-10-21","18:00:00",""
"4003283","6.5409","0.0005","10.6885","0.0008","13.6742","0.0011","112.492","0.002","94.702","0.003","98.455","0.002","863.63","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 Se -","- C19 H28 Se -","- C38 H56 Se2 -","2","1","","Tsai, Che-En; Yu, Ruo-Han; Lin, Fang-Ju; Lai, Yu-Ying; Hsu, Jhih-Yang; Cheng, Sheng-Wen; Hsu, Chain-Shu; Cheng, Yen-Ju","Synthesis of a 4,9-Didodecyl Angular-Shaped Naphthodiselenophene Building Block To Achieve High-Mobility Transistors","Chemistry of Materials","2016","28","14","5121","","10.1021/acs.chemmater.6b02042","","","0.71073","MoKα","","0.0352","0.0279","","","0.0667","0.0697","","","","","","1.082","","","","has coordinates","231487","2020-10-21","18:00:00",""
"4003284","8.84","0.003","28.972","0.008","9.023","0.003","90","","106.224","0.004","90","","2218.9","1.2","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N3 O -","- C30 H21 N3 O -","- C120 H84 N12 O4 -","4","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.1244","0.0816","","","0.2196","0.2367","","","","","","1.374","","","","has coordinates","231488","2020-10-21","18:00:00",""
"4003285","8.83","0.005","8.862","0.005","13.016","0.008","104.659","0.009","99.961","0.01","104.811","0.008","921.4","0.9","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H16 N O -","- C27 H17 N O -","- C54 H34 N2 O2 -","2","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.1326","0.0977","","","0.2527","0.2904","","","","","","1.066","","","","has coordinates","231489","2020-10-21","18:00:00",""
"4003286","8.804","0.002","9.4013","0.0018","14.585","0.004","72.697","0.011","86.345","0.016","72.304","0.014","1097.5","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 N2 O -","- C32 H22 N2 O -","- C64 H44 N4 O2 -","2","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.1224","0.0614","","","0.1556","0.1877","","","","","","0.94","","","","has coordinates","231490","2020-10-21","18:00:00",""
"4003287","23.9625","0.0004","12.8754","0.0002","12.4685","0.0003","90","","90","","90","","3846.87","0.13","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H19 N O -","- C28 H19 N O -","- C224 H152 N8 O8 -","8","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.0753","0.0513","","","0.1428","0.1577","","","","","","1.074","","","","has coordinates","231491","2020-10-21","18:00:00",""
"4003288","13.386","0.004","21.482","0.005","10.176","0.002","90","","94.752","0.008","90","","2916.1","1.2","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.05 H8 Cd O6.05 S -","- C14.05 H8 Cd O6.05 S -","- C112.4 H64 Cd8 O48.4 S8 -","8","1","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.0653","0.0376","","","0.0711","0.0782","","","","","","1.03","","","","has coordinates,has disorder","231492","2020-10-21","18:00:00",""
"4003289","13.391","0.003","21.45","0.004","10.1758","0.0015","90","","94.96","0.005","90","","2911.9","1","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.43 H8 Cd O6.8 S -","- C14.431 H8 Cd O6.797 S -","- C115.448 H64 Cd8 O54.376 S8 -","8","1","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.0502","0.0314","","","0.0591","0.064","","","","","","1.047","","","","has coordinates,has disorder","231493","2020-10-21","18:00:00",""
"4003290","5.8815","0.0016","13.035","0.003","19.371","0.004","90","","90","","90","","1485.1","0.6","110","","110","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14.45 H8 O6.89 Pb S -","- C14.447 H8 O6.894 Pb S -","- C57.788 H32 O27.576 Pb4 S4 -","4","0.5","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.0385","0.0249","","","0.0404","0.0431","","","","","","1.04","","","","has coordinates,has disorder","231494","2020-10-21","18:00:00",""
"4003291","13.376","0.003","21.481","0.005","10.168","0.0017","90","","94.756","0.007","90","","2911.5","1.1","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cd O6 S -","- C14 H8 Cd O6 S -","- C112 H64 Cd8 O48 S8 -","8","1","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.041","0.0264","","","0.0521","0.056","","","","","","1.033","","","","has coordinates,has disorder","231495","2020-10-21","18:00:00",""
"4003292","7.343","0.002","36.61","0.011","13.592","0.004","90","","90","","90","","3653.9","1.8","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2FeBr4","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 Br4 Fe I4 S4 Se8 -","- C64 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0386","0.0303","","","0.0768","0.081","","","","","","1.039","","","","has coordinates","231496","2020-10-21","18:00:00",""
"4003293","7.339","0.002","35.846","0.011","13.576","0.004","90","","90","","90","","3571.5","1.8","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2GaCl4","","","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C16 Cl4 Ga I4 S4 Se8 -","- C64 Cl16 Ga4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0362","0.0266","","","0.0707","0.0778","","","","","","1.04","","","","has coordinates","231497","2020-10-21","18:00:00",""
"4003294","7.3315","0.0009","35.801","0.004","13.5837","0.0016","90","","90","","90","","3565.4","0.7","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2FeCl4","","","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C16 Cl4 Fe I4 S4 Se8 -","- C64 Cl16 Fe4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0319","0.0261","","","0.0672","0.0715","","","","","","1.077","","","","has coordinates","231498","2020-10-21","18:00:00",""
"4003295","7.3519","0.0013","36.69","0.006","13.606","0.002","90","","90","","90","","3670.1","1","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2GaBr4","","","- C16 H8 Br4 Ga I4 S4 Se8 -","- C16 Br4 Ga I4 S4 Se8 -","- C64 Br16 Ga4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0381","0.0297","","","0.0714","0.076","","","","","","1.038","","","","has coordinates","231499","2020-10-21","18:00:00",""
"4003296","22.28","0.02","22.2","0.02","11.198","0.01","90","","90.931","0.008","90","","5538","9","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29.33 H26.67 Cu1.33 N5.33 O8 S2.67 -","- C29.3333 H26.6667 Cu1.33333 N5.33333 O8 S2.66667 -","- C176 H160 Cu8 N32 O48 S16 -","6","1.5","","Zhang, Guiyang; Wei, Guangfeng; Liu, Zhipan; Oliver, Scott R. J.; Fei, Honghan","A Robust Sulfonate-Based Metal‒Organic Framework with Permanent Porosity for Efficient CO2 Capture and Conversion","Chemistry of Materials","2016","28","17","6276","","10.1021/acs.chemmater.6b02511","","","0.71073","MoKα","","0.0444","0.0371","","","0.0916","0.0951","","","","","","1.052","","","","has coordinates","231500","2020-10-21","18:00:00",""
"4003297","15.877","0.005","8.568","0.005","23.078","0.005","90","0.005","90","0.005","90","0.005","3139","2","296","","296","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H10 Br3 N Sn -","- C3 Br3 N Sn -","- C36 Br36 N12 Sn12 -","12","3","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0735","0.0389","","","0.084","0.0929","","","","","","1.134","","","","has coordinates","231501","2020-10-21","18:00:00",""
"4003298","9.598","0.005","8.368","0.005","12.416","0.005","90","0.005","90","0.005","90","0.005","997.2","0.9","420","","420","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cl3 N Sn -","- C3 H9 Cl3 N Sn -","- C12 H36 Cl12 N4 Sn4 -","4","0.5","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0357","0.0262","","","0.0611","0.0672","","","","","","1.043","","","","has coordinates","231502","2020-10-21","18:00:00",""
"4003299","9.37","0.007","8.267","0.007","12.355","0.01","90","","92.172","0.009","90","","956.4","1.3","260","","260","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H10 Cl3 N Sn -","- C3 Cl3 N Sn -","- C12 Cl12 N4 Sn4 -","4","1","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71073","MoKα","","0.0815","0.0805","","","0.2178","0.2186","","","","","","1.065","","","","has coordinates","231503","2020-10-21","18:00:00",""
"4003300","9.476","0.005","8.29","0.005","12.34","0.005","90","0.005","90","0.005","90","0.005","969.4","0.9","296","","296","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cl3 N Sn -","- C3 H9 Cl3 N Sn -","- C12 H36 Cl12 N4 Sn4 -","4","0.5","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0177","0.0171","","","0.0432","0.0435","","","","","","1.098","","","","has coordinates","231504","2020-10-21","18:00:00",""
"4003301","21.9524","0.0006","21.9524","0.0006","21.9524","0.0006","90","","90","","90","","10579","0.5","296","2","296.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C24 H9 Fe3 N3 O16 -","- C24 H9 Fe3 N3 O16 -","- C192 H72 Fe24 N24 O128 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","0.7709","synchrotronx-ray","","0.0453","0.0377","","","0.0867","0.0892","","","","","","0.972","","","","has coordinates","231505","2020-10-21","18:00:00",""
"4003302","22.453","0.0004","22.453","0.0004","22.453","0.0004","90","","90","","90","","11319.4","0.3","100","2","100","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H25.5 Br In3 N3 O21.25 -","- C24 H10.5 Br0.99 In3 N3 O21.27 -","- C192 H84 Br7.92 In24 N24 O170.16 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","1.54178","CuKα","","0.0426","0.0391","","","0.1121","0.1145","","","","","","1.076","","","","has coordinates","231506","2020-10-21","18:00:00",""
"4003303","21.872","0.0009","21.872","0.0009","21.872","0.0009","90","","90","","90","","10463.2","0.7","225","2","225","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H15 Cl Fe3 N3 O16 -","- C24 H9 Cl1.01 Fe3 N3 O16 -","- C192 H72 Cl8.08 Fe24 N24 O128 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","1.54178","CuKα","","0.0917","0.0621","","","0.1665","0.1804","","","","","","1.016","","","","has coordinates","231507","2020-10-21","18:00:00",""
"4003304","22.457","0.0003","22.457","0.0003","22.457","0.0003","90","","90","","90","","11325.4","0.3","100","2","100","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H23.7 Cl In3 N3 O20.35 -","- C24 H9 Cl0.99 In3 N3 O20.33 -","- C192 H72 Cl7.92 In24 N24 O162.64 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","1.54178","CuKα","","0.0417","0.0385","","","0.1116","0.1139","","","","","","1.053","","","","has coordinates","231508","2020-10-21","18:00:00",""
"4003305","7.642","0.0006","14.5365","0.0012","14.957","0.0012","90","","90","","90","","1661.5","0.2","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0387","0.0309","","","0.0725","0.075","","","","","","0.982","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003306","7.4503","0.0016","14.465","0.003","15.649","0.003","90","","90","","90","","1686.5","0.6","330","","330","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H11 Cr Mn N8 O2 -","- C36 H44 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0505","0.0371","","","0.0904","0.0942","","","","","","0.981","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003307","7.4439","0.0007","14.4725","0.0014","15.6319","0.0015","90","","90","","90","","1684.1","0.3","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H13 Cr Mn N8 O2 -","- C36 H52 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0455","0.0364","","","0.0882","0.0913","","","","","","0.963","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003308","7.6421","0.001","14.5416","0.0019","14.958","0.002","90","","90","","90","","1662.3","0.4","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H15 Cr Mn N8 O2 -","- C36 H60 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0402","0.0322","","","0.0743","0.0772","","","","","","0.978","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003309","7.425","0.0006","14.5177","0.0011","15.5242","0.0012","90","","90","","90","","1673.4","0.2","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0352","0.0303","","","0.0733","0.0749","","","","","","1.003","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003310","7.6459","0.0007","14.5442","0.0012","14.9647","0.0013","90","","90","","90","","1664.1","0.3","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.039","0.0311","","","0.0727","0.0751","","","","","","0.982","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003311","7.712","0.003","13.401","0.005","14.058","0.005","90","","90","","90","","1452.9","0.9","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cr Mn N8 -","- C9 H11 Cr Mn N8 -","- C36 H44 Cr4 Mn4 N32 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.1096","0.0707","","","0.1594","0.1817","","","","","","1.136","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003312","7.6695","0.0016","14.586","0.003","15.013","0.003","90","","90","","90","","1679.5","0.6","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H11 Cr Mn N8 O2 -","- C36 H44 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.1497","0.0897","","","0.1937","0.23","","","","","","1.256","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003313","8.9159","0.0007","20.0335","0.0015","8.9925","0.0006","90","","91.875","0.006","90","","1605.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 I4 N3 Pb -","- C5 H11 I4 N3 Pb -","- C20 H44 I16 N12 Pb4 -","4","1","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0639","0.0541","","","0.141","0.1501","","","","","","1.027","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003314","8.7411","0.0004","20.0449","0.0007","8.9845","0.0003","90","","91.571","0.003","90","","1573.62","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 I4 N3 Sn -","- C5 H11 I4 N3 Sn -","- C20 H44 I16 N12 Sn4 -","4","1","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.1111","0.0583","","","0.0916","0.1087","","","","","","1.096","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003315","9.1561","0.0005","8.6894","0.0003","28.7762","0.0015","90","","90","0.004","90","","2289.46","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0727","0.0575","","","0.1308","0.1398","","","","","","1.099","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003316","9.0944","0.0004","8.6613","0.0006","28.764","0.0013","90","","90","","90","","2265.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Sn -","- C14 H20 I4 N2 Sn -","- C56 H80 I16 N8 Sn4 -","4","0.5","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0469","0.0354","","","0.0852","0.0894","","","","","","1.089","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003317","17.41","0.002","27.438","0.004","18.341","0.002","90","","111.323","0.002","90","","8161.7","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H162 Ag7.22 Au17.77 S18 -","- C144 H162 Ag7.224 Au17.776 S18 -","- C288 H324 Ag14.448 Au35.552 S36 -","2","0.5","","Yan, Nan; Liao, Lingwen; Yuan, Jinyun; Lin, Yue-jian; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun","Bimetal Doping in Nanoclusters: Synergistic or Counteractive?","Chemistry of Materials","2016","28","22","8240","","10.1021/acs.chemmater.6b03132","","","0.71073","MoKα","","0.1218","0.0525","","","0.1184","0.155","","","","","","1.014","","","","has coordinates,has disorder","231511","2020-10-21","18:00:00",""
"4003318","13.448","0.002","15.035","0.002","15.51","0.003","115.552","0.003","93.416","0.003","109.388","0.003","2592","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H39 Ir N3 O3 P -","- C51 H39 Ir N3 O3 P -","- C102 H78 Ir2 N6 O6 P2 -","2","1","","Xu, Xianbin; Guo, Haoran; Zhao, Jiang; Liu, Boao; Yang, Xiaolong; Zhou, Guijiang; Wu, Zhaoxin","Asymmetric tris-Heteroleptic IridiumIII Complexes Containing a 9-Phenyl-9-phosphafluorene Oxide Moiety with Enhanced Charge Carrier Injection/Transporting Properties for Highly Efficient Solution-Processed Organic Light-Emitting Diodes","Chemistry of Materials","2016","28","23","8556","","10.1021/acs.chemmater.6b03177","","","0.71073","MoKα","","0.1311","0.0781","","","0.2092","0.23","","","","","","1.233","","","","has coordinates","231512","2020-10-21","18:00:00",""
"4003319","28.9782","0.001","17.9781","0.001","12.4794","0.0005","90","","90","","90","","6501.4","0.5","170","2","170","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27 H21 Br Cd Cl N3 O10 -","- C27 H21 Br Cd Cl N3 O10 -","- C216 H168 Br8 Cd8 Cl8 N24 O80 -","8","1","","An, Wen; Aulakh, Darpandeep; Zhang, Xuan; Verdegaal, Wolfgang; Dunbar, Kim R.; Wriedt, Mario","Switching of Adsorption Properties in a Zwitterionic Metal‒Organic Framework Triggered by Photogenerated Radical Triplets","Chemistry of Materials","2016","28","21","7825","","10.1021/acs.chemmater.6b03224","","","0.71073","MoKα","","0.1894","0.0686","","","0.1539","0.1892","","","","","","0.804","","","","has coordinates","231513","2020-10-21","18:00:00",""
"4003320","21.432","0.003","21.539","0.003","21.91","0.003","87.7621","0.0017","64.8727","0.0016","60.9692","0.0015","7826.3","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","1","0.5","","Jin, Shan; Wang, Shuxin; Xiong, Ling; Zhou, Meng; Chen, Shuang; Du, Wenjun; Xia, Andong; Pei, Yong; Zhu, Manzhou","Two Electron Reduction: From Quantum Dots to Metal Nanoclusters","Chemistry of Materials","2016","28","21","7905","","10.1021/acs.chemmater.6b03472","","","0.71073","MoKα","","0.1655","0.1134","","","0.323","0.3597","","","","","","1.121","","","","has coordinates,has disorder","231514","2020-10-21","18:00:00",""
"4003321","21.5488","0.0017","21.6774","0.0017","22.0348","0.0018","88","0.001","64.954","0.001","60.919","0.0012","7957.5","1.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H328 Ag62 B2 S45 -","- C176 H328 Ag62 B2 S45 -","- C176 H328 Ag62 B2 S45 -","1","0.5","","Jin, Shan; Wang, Shuxin; Xiong, Ling; Zhou, Meng; Chen, Shuang; Du, Wenjun; Xia, Andong; Pei, Yong; Zhu, Manzhou","Two Electron Reduction: From Quantum Dots to Metal Nanoclusters","Chemistry of Materials","2016","28","21","7905","","10.1021/acs.chemmater.6b03472","","","0.71073","MoKα","","0.0512","0.0488","","","0.1136","0.1146","","","","","","1.039","","","","has coordinates","231515","2020-10-21","18:00:00",""
"4003322","22.4465","0.0009","22.4465","0.0009","38.2453","0.0018","90","","90","","120","","16688.1","1.2","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C387 H291 Cl5 Cu29 N24 -","- C387 H291 Cl5 Cu29 N24 -","- C774 H582 Cl10 Cu58 N48 -","2","0.333333","","Nguyen, Thuy-Ai D.; Jones, Zachary R.; Leto, Domenick F.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","Ligand-Exchange-Induced Growth of an Atomically Precise Cu29 Nanocluster from a Smaller Cluster","Chemistry of Materials","2016","28","22","8385","","10.1021/acs.chemmater.6b03879","","","0.71073","MoKα","","0.1383","0.0697","","","0.1578","0.1888","","","","","","1.019","","","","has coordinates","231516","2020-10-21","18:00:00",""
"4003323","11.622","0.0006","16.3129","0.001","24.6222","0.0011","90","","96.269","0.003","90","","4640.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55 Cl Cu N2 O3 P -","- C54 H55 Cl Cu N2 O3 P -","- C216 H220 Cl4 Cu4 N8 O12 P4 -","4","1","","Nguyen, Thuy-Ai D.; Jones, Zachary R.; Leto, Domenick F.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","Ligand-Exchange-Induced Growth of an Atomically Precise Cu29 Nanocluster from a Smaller Cluster","Chemistry of Materials","2016","28","22","8385","","10.1021/acs.chemmater.6b03879","","","0.71073","MoKα","","0.1438","0.0738","","","0.1728","0.2075","","","","","","1.021","","","","has coordinates","231516","2020-10-21","18:00:00",""
"4003324","36.821","0.003","7.8463","0.0007","16.111","0.0014","90","","99.967","0.001","90","","4584.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-mesityl-3-methyl-1-(4-methylbenzyl)-1H-benzimidazolium iodide hemihydrate","","- C25 H28 I N2 O0.5 -","- C25 H28 I N2 O0.5 -","- C200 H224 I8 N16 O4 -","8","1","","Weissbach, Thomas; Wright, Andrew G.; Peckham, Timothy J.; Sadeghi Alavijeh, Alireza; Pan, Vivian; Kjeang, Erik; Holdcroft, Steven","Simultaneous, Synergistic Control of Ion Exchange Capacity and Cross-Linking of Sterically-Protected Poly(benzimidazolium)s","Chemistry of Materials","2016","28","21","8060","","10.1021/acs.chemmater.6b03902","","","0.71073","MoKα","","0.0303","0.0246","","","0.0645","0.0691","","","","","","1.031","","","","has coordinates","231517","2020-10-21","18:00:00",""
"4003325","4.982","0.003","4.982","0.003","29.2","0.03","90","","90","","120","","627.7","0.8","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Br2 O3 Rb Zn2 -","- B Br2 O3 Rb Zn2 -","- B3 Br6 O9 Rb3 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0597","0.0546","","","0.1234","0.1262","","","","","","1.079","","","","has coordinates","231518","2020-10-21","18:00:00",""
"4003326","4.9618","0.0006","4.9618","0.0006","28.199","0.007","90","","90","","120","","601.23","0.18","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Br2 K O3 Zn2 -","- B Br2 K O3 Zn2 -","- B3 Br6 K3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0322","0.0302","","","0.0591","0.0596","","","","","","0.984","","","","has coordinates","231519","2020-10-21","18:00:00",""
"4003327","4.952","0.006","4.952","0.006","27.05","0.05","90","","90","","120","","574.5","1.4","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B Cl2 H4 N O3 Zn2 -","- B Cl2 N O3 Zn2 -","- B3 Cl6 N3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.046","0.0449","","","0.1012","0.1016","","","","","","1.05","","","","has coordinates","231520","2020-10-21","18:00:00",""
"4003328","4.9624","0.0006","4.9624","0.0006","26.386","0.005","90","","90","","120","","562.71","0.14","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 K O3 Zn2 -","- B Cl2 K O3 Zn2 -","- B3 Cl6 K3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0215","0.0197","","","0.0389","0.0394","","","","","","1.034","","","","has coordinates","231521","2020-10-21","18:00:00",""
"4003329","4.9611","0.0005","4.9611","0.0005","27.221","0.006","90","","90","","120","","580.22","0.15","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 O3 Rb Zn2 -","- B Cl2 O3 Rb Zn2 -","- B3 Cl6 O9 Rb3 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0506","0.0472","","","0.124","0.1258","","","","","","1.035","","","","has coordinates","231522","2020-10-21","18:00:00",""
"4003330","7.6279","0.0011","7.6279","0.0011","13.99","0.003","90","","90","","120","","705","0.2","153.15","","153.15","","","","","","","","","5","P 63","P 6c","173","","","","- B Ba Be2 F3 O3 -","- B Ba Be2 F3 O3 -","- B6 Ba6 Be12 F18 O18 -","6","1","","Guo, Shu; Jiang, Xingxing; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞Layers and Short Phase-Matching Wavelength","Chemistry of Materials","2016","28","24","8871","","10.1021/acs.chemmater.6b04403","","","0.71073","MoKα","","0.0502","0.0363","","","0.0768","0.0825","","","","","","1.01","","","","has coordinates","231523","2020-10-21","18:00:00",""
"4003331","13.17398","0.00011","13.17398","","30.0925","0.0009","90","","90","","120","","4522.96","0.14","295","","295","","","","","","","","","7","P -3 1 c","-P 3 2c","163","SAPO-STA-20 as-prepared dehydrated","","","- C1.29 H3.01 Al N0.33 O4.09 P0.95 Si0.05 -","- C1.294 H3.01974 Al N0.323734 O4.08933 P0.95 Si0.05 -","- C46.5841 H108.711 Al36 N11.6544 O147.216 P34.2 Si1.8 -","36","3","","Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A.","STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging","Chemistry of Materials","2017","29","5","2180","","10.1021/acs.chemmater.6b04892","powder diffraction","x-ray","0.826163","","","","","","","","","0.12644","","5.44","","","","","","","has coordinates","231524","2020-10-21","18:00:00",""
"4003332","13.15497","0.00018","13.15497","","30.5833","0.0004","90","","90","","120","","4583.47","0.09","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO-STA-20 calcined dehydrated","","","- Al O4 P0.95 Si0.05 -","- Al O4 P0.95 Si0.05 -","- Al36 O144 P34.2 Si1.8 -","36","3","","Turrina, Alessandro; Garcia, Raquel; Watts, Abigail E.; Greer, Heather F.; Bradley, Jonathan; Zhou, Wuzong; Cox, Paul A.; Shannon, Mervyn D.; Mayoral, Alvaro; Casci, John L.; Wright, Paul A.","STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging","Chemistry of Materials","2017","29","5","2180","","10.1021/acs.chemmater.6b04892","powder diffraction","x-ray","0.826163","","","","","","","","","0.12103","","4.21","","","","","","","has coordinates","231524","2020-10-21","18:00:00",""
"4003333","14.739","0.0009","20.9507","0.001","23.2253","0.0013","90","","90","","90","","7171.8","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H44 N2 O24 P2 Ti6 -","- C54 H86 N2 O24 P2 Ti6 -","- C216 H344 N8 O96 P8 Ti24 -","4","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0745","0.0599","","","0.1583","0.1706","","","","","","1.044","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003334","14.4746","0.0004","14.8614","0.0004","20.4638","0.0006","90","","124.016","0.002","90","","3648.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H88 N2 O26 P2 S2 Ti6 -","- C52 H88 N2 O26 P2 S2 Ti6 -","- C104 H176 N4 O52 P4 S4 Ti12 -","2","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0591","0.0483","","","0.1346","0.1494","","","","","","1.033","","","","has coordinates","264242","2021-04-16","08:49:05",""
"4003335","12.414","0.002","15.182","0.003","19.227","0.004","90","","93.528","0.004","90","","3616.8","1.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H86 N4 O24 P2 Ti6 -","- C52 H86 N4 O24 P2 Ti6 -","- C104 H172 N8 O48 P4 Ti12 -","2","0.5","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.057","0.049","","","0.1366","0.1432","","","","","","1.095","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003336","12.751","0.01","14.762","0.012","21.641","0.016","96.651","0.006","94.063","0.009","110.713","0.007","3757","5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H88 Cl2 Cu N2 O24 P2 Ti6 -","- C54 H84 Cl2 Cu N2 O24 P2 Ti6 -","- C108 H168 Cl4 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1617","0.1201","","","0.2827","0.3004","","","","","","1.328","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003337","12.8145","0.0004","14.7882","0.0005","21.93","0.0008","97.346","0.003","94.755","0.003","109.668","0.003","3845.8","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H88 Br2 Cu N2 O24 P2 Ti6 -","- C54 H88 Br2 Cu N2 O24 P2 Ti6 -","- C108 H176 Br4 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0859","0.0678","","","0.188","0.219","","","","","","1.034","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003338","12.349","0.003","12.877","0.003","18.344","0.005","91.107","0.003","107.211","0.002","105.799","0.002","2665.3","1.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H59 Cl Cu N O12 P2 Ti3 -","- C45 H59 Cl Cu N O12 P2 Ti3 -","- C90 H118 Cl2 Cu2 N2 O24 P4 Ti6 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0632","0.0464","","","0.1239","0.1552","","","","","","1.035","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003339","12.1894","0.001","12.9651","0.0011","18.4828","0.0015","91.798","0.001","106.513","0.003","106.143","0.003","2670.7","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H59 Br Cu N O12 P2 Ti3 -","- C45 H59 Br Cu N O12 P2 Ti3 -","- C90 H118 Br2 Cu2 N2 O24 P4 Ti6 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0604","0.0526","","","0.16","0.1661","","","","","","1.089","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003340","11.9007","0.0005","13.1334","0.0006","18.7685","0.0007","93.366","0.003","105.25","0.004","106.592","0.004","2683.8","0.2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H56 Cu I N O12 P2 Ti3 -","- C45 H56 Cu I N O12 P2 Ti3 -","- C90 H112 Cu2 I2 N2 O24 P4 Ti6 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0908","0.0542","","","0.1341","0.151","","","","","","1.067","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003341","14.756","0.0005","14.8185","0.0006","20.8524","0.0008","72.098","0.004","79.337","0.003","78.319","0.003","4212","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H88 Cl Cu N2 O24 P2 Ti6 -","- C54 H81 Cl Cu N2 O24 P2 Ti6 -","- C108 H162 Cl2 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0929","0.0647","","","0.1878","0.2084","","","","","","1.06","","","","has coordinates,has disorder","231525","2020-10-21","18:00:00",""
"4003342","14.802","0.0004","14.9813","0.0005","20.8176","0.0007","72.442","0.003","80.29","0.003","79.364","0.003","4294.1","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H88 Br Cu N2 O24 P2 Ti6 -","- C55 H76 Br Cu N2 O24 P2 Ti6 -","- C110 H152 Br2 Cu2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0824","0.0595","","","0.165","0.1835","","","","","","1.054","","","","has coordinates,has disorder","231525","2020-10-21","18:00:00",""
"4003343","14.814","0.0004","14.9378","0.0008","20.7492","0.001","71.798","0.005","81.023","0.003","79.495","0.003","4264.5","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H79 Cu I N2 O24 P2 Ti6 -","- C53 H73 Cu I N2 O24 P2 Ti6 -","- C106 H146 Cu2 I2 N4 O48 P4 Ti12 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1151","0.066","","","0.1851","0.2094","","","","","","1.029","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003344","19.8913","0.0004","21.1284","0.0003","19.7411","0.0003","90","","95.314","0.002","90","","8261","0.2","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H88 Cl2 Cu N2 O26 P2 S2 Ti6 -","- C52 H83 Cl2 Cu N2 O26 P2 S2 Ti6 -","- C208 H332 Cl8 Cu4 N8 O104 P8 S8 Ti24 -","4","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.0827","0.0639","","","0.1888","0.2103","","","","","","1.044","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003345","24.2854","0.001","26.7805","0.0009","12.2991","0.0006","90","","90","","90","","7999","0.6","293","2","293","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C52 H88 Br2 Cu2 N2 O26 P2 S2 Ti6 -","- C52 H74 Br2 Cu2 N2 O26 P2 S2 Ti6 -","- C208 H296 Br8 Cu8 N8 O104 P8 S8 Ti24 -","4","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","1.54178","CuKα","","0.1321","0.0924","","","0.2448","0.2949","","","","","","1.017","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003346","13.56","0.002","25.683","0.005","26.59","0.005","99.185","0.008","104.314","0.006","104.895","0.006","8421","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H176 Br4 Cu4 N4 O48 P4 Ti12 -","- C108 H159 Br4 Cu4 N4 O48 P4 Ti12 -","- C216 H318 Br8 Cu8 N8 O96 P8 Ti24 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.0935","0.0618","","","0.1672","0.1907","","","","","","1.055","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003347","13.543","0.003","25.778","0.006","26.753","0.005","98.786","0.011","103.609","0.008","103.991","0.006","8588","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H176 Cu4 I4 N4 O48 P4 Ti12 -","- C108 H152 Cu4 I4 N4 O48 P4 Ti12 -","- C216 H304 Cu8 I8 N8 O96 P8 Ti24 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1214","0.075","","","0.2006","0.2374","","","","","","1.207","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003348","13.527","0.003","25.847","0.006","26.657","0.006","98.87","0.01","103.892","0.008","103.725","0.008","8566","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C104 H172 Cu4 I4 N8 O48 P4 Ti12 -","- C104 H151 Cu4 I4 N8 O48 P4 Ti12 -","- C208 H302 Cu8 I8 N16 O96 P8 Ti24 -","2","1","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.1035","0.0789","","","0.2126","0.2277","","","","","","1.08","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003349","26.733","0.005","26.733","0.005","65.261","0.013","90","","90","","120","","40391","13","293.15","","293","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C168 H276 Cu8 I8 N8 O72 P6 Ti18 -","- C168 H60 Cu8 I8 N8 O72 P6 Ti18 -","- C1008 H360 Cu48 I48 N48 O432 P36 Ti108 -","6","0.166667","","Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian","Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials","Chemistry of Materials","2017","29","7","2681","","10.1021/acs.chemmater.7b00324","","","0.71073","MoKα","","0.099","0.0715","","","0.198","0.2216","","","","","","1.055","","","","has coordinates","231525","2020-10-21","18:00:00",""
"4003350","11.2695","0.0006","13.9591","0.0005","21.6342","0.0011","93.356","0.004","94.042","0.004","101.66","0.004","3315.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H52 Cu4 I4 O2 P4 -","- C72 H52 Cu4 I4 O2 P4 -","- C144 H104 Cu8 I8 O4 P8 -","2","1","","Xie, Mingchen; Han, Chunmiao; Zhang, Jing; Xie, Guohua; Xu, Hui","White Electroluminescent Phosphine-Chelated Copper Iodide Nanoclusters","Chemistry of Materials","2017","29","16","6606","","10.1021/acs.chemmater.7b01443","","","0.71073","MoKα","","0.0829","0.0514","","","0.1228","0.1431","","","","","","1.028","","","","has coordinates","231526","2020-10-21","18:00:00",""
"4003351","10.0049","0.0003","10.0144","0.0002","12.1801","0.0003","99.3626","0.0018","94.68","0.002","113.451","0.002","1090.12","0.05","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Cl5 P2 Sb -","- C48 H40 Cl5 P2 Sb -","- C48 H40 Cl5 P2 Sb -","1","0.5","","Zhou, Chenkun; Worku, Michael; Neu, Jennifer; Lin, Haoran; Tian, Yu; Lee, Sujin; Zhou, Yan; Han, Dan; Chen, Shiyou; Hao, Ayou; Djurovich, Peter I.; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu","Facile Preparation of Light Emitting Organic Metal Halide Crystals with Near-Unity Quantum Efficiency","Chemistry of Materials","2018","30","7","2374","","10.1021/acs.chemmater.8b00129","","","0.71073","MoKα","","0.0684","0.0598","","0.1415","0.1321","0.1415","","","","","","0.9366","","","","has coordinates","231527","2020-10-21","18:00:00",""
"4003352","9.2171","","10.027","","6.9348","","90","","90","","90","","640.913","","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B3 Cs O7 Si -","- B3 Cs O7 Si -","- B12 Cs4 O28 Si4 -","4","1","","Zhou, Zhengyang; Qiu, Yi; Liang, Fei; Palatinus, Lukáš; Poupon, Morgane; Yang, Tao; Cong, Rihong; Lin, Zheshuai; Sun, Junliang","CsSiB3O7: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Discovered by the Combination of Electron Diffraction and First-Principles Calculations","Chemistry of Materials","2018","30","7","2203","","10.1021/acs.chemmater.8b00545","","electron","0.0335","electron","","0.104","0.0961","","","0.102","0.1024","","","","4.56","4.56","4.34","","","","has coordinates","231528","2020-10-21","18:00:00",""
"4003353","15.0812","0.0005","15.0812","0.0005","19.2621","0.0008","90","","90","","90","","4381","0.3","210","2","210","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","catena-[bis(μ~4~-1,4-benzene-dicarboxylato)-(μ~2~-1,4- diazabicyclo[2.2.2]octane)-di-zinc] dimethylformamide clathrate","","- C4.25 H6 N0.75 O1.5 Zn0.25 -","- C2.75 H2.5 N0.25 O Zn0.25 -","- C88 H80 N8 O32 Zn8 -","32","1","","Lee, Hui-Chun; Hwang, Jongkook; Schilde, Uwe; Antonietti, Markus; Matyjaszewski, Krzysztof; Schmidt, Bernhard V. K. J.","Toward Ultimate Control of Radical Polymerization: Functionalized Metal‒Organic Frameworks as a Robust Environment for Metal-Catalyzed Polymerizations","Chemistry of Materials","2018","30","9","2983","","10.1021/acs.chemmater.8b00546","","","0.71073","MoKα","","0.0643","0.0389","","","0.0907","0.1014","","","","","","1.083","","","","has coordinates","231529","2020-10-21","18:00:00",""
"4003354","21.5725","0.0005","21.5725","0.0005","9.6834","0.0003","90","","90","","120","","3902.65","0.18","210","2","210","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","catena-[bis(μ~4~-1,4-benzene-dicarboxylato)-(μ~2~-1,4- diazabicyclo[2.2.2]octane)-di-zinc] dimethylformamide clathrate","","- C4.25 H6 N0.75 O1.5 Zn0.25 -","- C2.75 H2.5 N0.25 O Zn0.25 -","- C66 H60 N6 O24 Zn6 -","24","1","","Lee, Hui-Chun; Hwang, Jongkook; Schilde, Uwe; Antonietti, Markus; Matyjaszewski, Krzysztof; Schmidt, Bernhard V. K. J.","Toward Ultimate Control of Radical Polymerization: Functionalized Metal‒Organic Frameworks as a Robust Environment for Metal-Catalyzed Polymerizations","Chemistry of Materials","2018","30","9","2983","","10.1021/acs.chemmater.8b00546","","","0.71073","MoKα","","0.0331","0.0273","","","0.0744","0.0777","","","","","","1.07","","","","has coordinates","231529","2020-10-21","18:00:00",""
"4003355","8.1456","0.0013","10.528","0.0016","17.657","0.003","90","","103.218","0.005","90","","1474.1","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C56 H32 Cu4 N8 O20 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","1.54178","CuKα","","0.0366","0.0363","","","0.1005","0.1008","","","","","","1.091","","","","has coordinates","231530","2020-10-21","18:00:00",""
"4003356","7.9968","0.0016","10.6693","0.0019","17.695","0.003","90","","103.904","0.005","90","","1465.5","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cu N2 O6 -","- C15 H8 Cu N2 O7 -","- C60 H32 Cu4 N8 O28 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","0.71073","MoKα","","0.0327","0.0312","","","0.0889","0.0901","","","","","","1.04","","","","has coordinates","231531","2020-10-21","18:00:00",""
"4003357","8.4025","0.0011","10.2909","0.0012","17.774","0.003","90","","103.533","0.006","90","","1494.2","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cu N2 O5 -","- C16 H10 Cu N2 O5 -","- C64 H40 Cu4 N8 O20 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","1.54178","CuKα","","0.0408","0.0369","","","0.0975","0.0997","","","","","","1.073","","","","has coordinates","231532","2020-10-21","18:00:00",""
"4003358","8.5188","0.0012","10.2071","0.0014","17.775","0.003","90","","103.329","0.003","90","","1503.9","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Cu N2 O6 -","- C16 H10 Cu N2 O5 -","- C64 H40 Cu4 N8 O20 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","1.54178","CuKα","","0.0353","0.0342","","","0.091","0.0917","","","","","","1.091","","","","has coordinates","231533","2020-10-21","18:00:00",""
"4003359","8.4584","0.0012","10.2551","0.0014","17.773","0.003","90","","103.479","0.003","90","","1499.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Cu N2 O6 -","- C16 H10 Cu N2 O5 -","- C64 H40 Cu4 N8 O20 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","1.54178","CuKα","","0.0357","0.0348","","","0.0909","0.0916","","","","","","1.087","","","","has coordinates","231534","2020-10-21","18:00:00",""
"4003360","8.1474","0.0015","10.5098","0.0017","17.662","0.003","90","","103.064","0.007","90","","1473.2","0.4","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.7 H8 Cu N2 O5 -","- C14.751 H8 Cu N2 O5 -","- C59.004 H32 Cu4 N8 O20 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","1.54178","CuKα","","0.0366","0.0336","","","0.0865","0.0879","","","","","","1.072","","","","has coordinates,has disorder","231535","2020-10-21","18:00:00",""
"4003361","8.5348","0.0003","10.2038","0.0004","14.0759","0.0006","91.017","0.003","102.753","0.003","100.403","0.003","1173.82","0.08","290.01","0.1","290.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H28 Bi0.5 I4.5 N2 -","- C12 H28 Bi0.5 I4.5 N2 -","- C24 H56 Bi I9 N4 -","2","1","","Zhang, Weichuan; Liu, Xitao; Li, Lina; Sun, Zhihua; Han, Shiguo; Wu, Zhenyue; Luo, Junhua","Triiodide-Induced Band-Edge Reconstruction of a Lead-Free Perovskite-Derivative Hybrid for Strong Light Absorption","Chemistry of Materials","2018","30","12","4081","","10.1021/acs.chemmater.8b01200","","x-ray","0.71073","MoKα","","0.0442","0.031","","","0.0574","0.0633","","","","","","1.062","","","","has coordinates","231536","2020-10-21","18:00:00",""
"4003362","30.1506","0.0006","8.6004","0.0002","16.1217","0.0004","90","","90","","90","","4180.47","0.16","293","2","293.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H42 Bi2 I9 N3 -","- C18 H42 Bi2 I9 N3 -","- C72 H168 Bi8 I36 N12 -","4","0.5","","Zhang, Weichuan; Liu, Xitao; Li, Lina; Sun, Zhihua; Han, Shiguo; Wu, Zhenyue; Luo, Junhua","Triiodide-Induced Band-Edge Reconstruction of a Lead-Free Perovskite-Derivative Hybrid for Strong Light Absorption","Chemistry of Materials","2018","30","12","4081","","10.1021/acs.chemmater.8b01200","","x-ray","1.54184","CuKα","","0.061","0.0448","","","0.1065","0.1177","","","","","","1.035","","","","has coordinates","231536","2020-10-21","18:00:00",""
"4003363","14.578","0.004","8.571","0.002","9.811","0.003","90","","90.386","0.005","90","","1225.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C60 H64 N4 O4 -","2","0.5","","Fan, Zhi-Ping; Li, Xiang-Yang; Purdum, Geoffrey E.; Hu, Chen-Xia; Fei, Xian; Shi, Zi-Fa; Sun, Chun-Lin; Shao, Xiangfeng; Loo, Yueh-Lin; Zhang, Hao-Li","Enhancing the Thermal Stability of Organic Field-Effect Transistors by Electrostatically Interlocked 2D Molecular Packing","Chemistry of Materials","2018","30","11","3638","","10.1021/acs.chemmater.8b01579","","","0.71073","MoKα","","0.0593","0.0424","","","0.1108","0.123","","","","","","1.004","","","","has coordinates","231537","2020-10-21","18:00:00",""
"4003364","7.5","0.003","8.528","0.004","10.009","0.004","80.48","0.04","73.28","0.03","83.45","0.03","603.2","0.5","293.18","0.1","293.18","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","1","0.5","","Fan, Zhi-Ping; Li, Xiang-Yang; Purdum, Geoffrey E.; Hu, Chen-Xia; Fei, Xian; Shi, Zi-Fa; Sun, Chun-Lin; Shao, Xiangfeng; Loo, Yueh-Lin; Zhang, Hao-Li","Enhancing the Thermal Stability of Organic Field-Effect Transistors by Electrostatically Interlocked 2D Molecular Packing","Chemistry of Materials","2018","30","11","3638","","10.1021/acs.chemmater.8b01579","","x-ray","0.71073","MoKα","","0.2368","0.0904","","","0.1812","0.278","","","","","","0.961","","","","has coordinates","231538","2020-10-21","18:00:00",""
"4003365","32.5662","0.0017","32.5662","0.0017","46.87","0.002","90","","90","","90","","49708","4","200","2","200","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C276 H180 Cu24 N24 O144 -","- C276 H180 Cu24 N24 O144 -","- C552 H360 Cu48 N48 O288 -","2","0.125","","Barreda, Omar; Taggart, Garrett A.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Mechanochemical Synthesis of Porous Molecular Assemblies","Chemistry of Materials","2018","30","12","3975","","10.1021/acs.chemmater.8b01667","","","1.54178","CuKα","","0.1446","0.1325","","","0.3954","0.4118","","","","","","1.953","","","","has coordinates","231539","2020-10-21","18:00:00",""
"4003366","18.3561","0.001","8.5392","0.0005","19.8563","0.0011","90","","90","","90","","3112.4","0.3","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cle106b","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C48 H80 I32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.047","0.0332","","","0.0581","0.0618","","","","","","1.08","","","","has coordinates","231540","2020-10-21","18:00:00",""
"4003367","18.105","0.0008","15.7555","0.0006","16.6214","0.0006","90","","90","","90","","4741.3","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","CLE13","","","- C24 H40 Cl16 N8 Pb4 -","- C24 H40 Cl16 N8 Pb4 -","- C96 H160 Cl64 N32 Pb16 -","4","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.024","0.0196","","","0.039","0.0402","","","","","","1.022","","","","has coordinates","231541","2020-10-21","18:00:00",""
"4003368","17.3155","0.0006","8.2244","0.0003","18.4056","0.0006","90","","90","","90","","2621.13","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLE30","","","- C6 H10 Br4 N2 Pb -","- C6 H10 Br4 N2 Pb -","- C48 H80 Br32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0338","0.0267","","","0.0558","0.0589","","","","","","1.057","","","","has coordinates,has disorder","231542","2020-10-21","18:00:00",""
"4003369","18.3568","0.0004","8.7037","0.0002","19.648","0.0004","90","","90","","90","","3139.2","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF5b","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C48 H80 I32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0438","0.0315","","","0.0673","0.0739","","","","","","1.032","","","","has coordinates","231543","2020-10-21","18:00:00",""
"4003370","16.7592","0.0013","7.875","0.0005","18.4791","0.0015","90","","90","","90","","2438.8","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF24a","","","- C6 H10 Cl4 N2 Pb -","- C6 H10 Cl4 N2 Pb -","- C48 H80 Cl32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.05","0.0288","","","0.0512","0.0576","","","","","","1.045","","","","has coordinates","231544","2020-10-21","18:00:00",""
"4003371","26.5785","0.0009","12.9273","0.0005","26.2839","0.0009","90","","90","","90","","9030.8","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","cle109","","","- C36 H66 I22 N12 O3 Pb5 -","- C36 H60 I22 N12 O3 Pb5 -","- C144 H240 I88 N48 O12 Pb20 -","4","0.5","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0394","0.0274","","","0.0537","0.0579","","","","","","1.074","","","","has coordinates","231545","2020-10-21","18:00:00",""
"4003372","26.3268","0.0008","12.8308","0.0004","26.0929","0.0008","90","","90","","90","","8814","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H66 I22 N12 O3 Pb5 -","- C36 H66 I22 N12 O3 Pb5 -","- C144 H264 I88 N48 O12 Pb20 -","4","0.5","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0258","0.0181","","","0.0334","0.0353","","","","","","1.046","","","","has coordinates","231546","2020-10-21","18:00:00",""
"4003373","17.3765","0.0003","8.2397","0.0001","18.7056","0.0004","90","","90","","90","","2678.21","0.08","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF35","","","- C6 H10 Br4 N2 Pb -","- C6 H10 Br4 N2 Pb -","- C48 H80 Br32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0458","0.0288","","","0.0563","0.0626","","","","","","1.038","","","","has coordinates","231547","2020-10-21","18:00:00",""
"4003374","23.279","0.003","23.279","0.003","30.804","0.006","90","","90","","90","","16693","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C8 H48 I44 N8 Pb18 -","- C8 H48 I44 N8 Pb18 -","- C16 H96 I88 N16 Pb36 -","2","0.125","","Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium","Chemistry of Materials","2018","30","15","5237","","10.1021/acs.chemmater.8b01906","","","0.9699","synchrotron","","0.1693","0.1265","","","0.2954","0.3194","","","","","","1.44","","","","has coordinates","231548","2020-10-21","18:00:00",""
"4003375","23.29","0.003","23.29","0.003","23.29","0.003","90","","90","","90","","12633","3","100","2","100","2","","","","","","","","2","P -4 3 m","P -4 2 3","215","","","","- I75 Pb50 -","- I61.9208 Pb56.2178 -","- I61.9208 Pb56.2178 -","1","0.0416667","","Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium","Chemistry of Materials","2018","30","15","5237","","10.1021/acs.chemmater.8b01906","","","0.9699","synchrotron","","0.2553","0.1475","","","0.2963","0.3698","","","","","","0.972","","","","has coordinates","231549","2020-10-21","18:00:00",""
"4003376","21.822","0.004","4.5979","0.0009","16.653","0.003","90","","101.8","0.03","90","","1635.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H18 I8 N2 O2 Pb3 -","- C6 H17.5 I8 N2 O2 Pb3 -","- C12 H35 I16 N4 O4 Pb6 -","2","0.25","","Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium","Chemistry of Materials","2018","30","15","5237","","10.1021/acs.chemmater.8b01906","","","0.9699","synchrotron","","0.11","0.0862","","","0.1989","0.2224","","","","","","0.887","","","","has coordinates,has disorder","231550","2020-10-21","18:00:00",""
"4003377","7.9516","0.0007","11.3364","0.001","6.0351","0.0006","90","","90","","90","","544.02","0.09","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Zhang, Bingbing; Han, Guopeng; Wang, Ying; Chen, Xinglong; Yang, Zhihua; Pan, Shilie","Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates","Chemistry of Materials","2018","30","15","5397","","10.1021/acs.chemmater.8b02223","","","0.71073","MoKα","","0.0749","0.0693","","","0.1763","0.1862","","","","","","0.888","","","","has coordinates","231551","2020-10-21","18:00:00",""
"4003378","22.03","0.04","21.02","0.04","15.27","0.03","90","","131.61","0.03","90","","5287","18","258","2","258","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H18 N O4 Zn -","- C28 H18 N O4 Zn -","- C112 H72 N4 O16 Zn4 -","4","0.5","","Qi, Yi; Xu, Huoshu; Li, Xiaomin; Tu, Binbin; Pang, Qingqing; Lin, Xiao; Ning, Erlong; Li, Qiaowei","Structure Transformation of a Luminescent Pillared-Layer Metal‒Organic Framework Caused by Point Defects Accumulation","Chemistry of Materials","2018","30","15","5478","","10.1021/acs.chemmater.8b02511","","","0.71073","MoKα","","0.1661","0.1419","","","0.3596","0.3777","","","","","","1.003","","","","has coordinates","231552","2020-10-21","18:00:00",""
"4003379","35.6285","0.0005","69.9968","0.001","23.6539","0.0003","90","","100.362","0.001","90","","58027.9","1.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C402 H369.75 Mn7 N42 O72 Ti8 -","- C402 H370 Mn7 N42 O72 Ti8 -","- C1608 H1480 Mn28 N168 O288 Ti32 -","4","1","","He, Yan-Ping; Yuan, Lv-Bing; Song, Jin-Shuai; Chen, Guang-Hui; Lin, Qipu; Li, Chunsen; Zhang, Lei; Zhang, Jian","Optical Resolution of the Water-Soluble Ti4(embonate)6 Cages for Enantioselective Recognition of Chiral Drugs","Chemistry of Materials","2018","30","21","7769","","10.1021/acs.chemmater.8b03174","","","1.54178","CuKα","","0.143","0.1175","","","0.3469","0.384","","","","","","1.05","","","","has coordinates","231553","2020-10-21","18:00:00",""
"4003380","47.662","0.0014","47.662","0.0014","47.662","0.0014","90","","90","","90","","108272","6","100","","100","","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C174 H144 Mn2 N12 O36 Ti4 -","- C174 H144 Mn2 N12 O36 Ti4 -","- C1392 H1152 Mn16 N96 O288 Ti32 -","8","0.0833333","","He, Yan-Ping; Yuan, Lv-Bing; Song, Jin-Shuai; Chen, Guang-Hui; Lin, Qipu; Li, Chunsen; Zhang, Lei; Zhang, Jian","Optical Resolution of the Water-Soluble Ti4(embonate)6 Cages for Enantioselective Recognition of Chiral Drugs","Chemistry of Materials","2018","30","21","7769","","10.1021/acs.chemmater.8b03174","","","1.54184","CuKα","","0.1421","0.0716","","","0.1763","0.1944","","","","","","1.034","","","","has coordinates","231554","2020-10-21","18:00:00",""
"4003381","47.5803","0.0017","47.5803","0.0017","47.5803","0.0017","90","","90","","90","","107716","7","100","","100","","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C174 H132 Mn2 N12 O36 Ti4 -","- C174 H132 Mn2 N12 O36 Ti4 -","- C1392 H1056 Mn16 N96 O288 Ti32 -","8","0.0833333","","He, Yan-Ping; Yuan, Lv-Bing; Song, Jin-Shuai; Chen, Guang-Hui; Lin, Qipu; Li, Chunsen; Zhang, Lei; Zhang, Jian","Optical Resolution of the Water-Soluble Ti4(embonate)6 Cages for Enantioselective Recognition of Chiral Drugs","Chemistry of Materials","2018","30","21","7769","","10.1021/acs.chemmater.8b03174","","","1.54184","CuKα","","0.1493","0.0907","","","0.2537","0.2833","","","","","","1.01","","","","has coordinates","231555","2020-10-21","18:00:00",""
"4003382","7.9407","0.0007","11.3362","0.001","6.0308","0.0004","90","","90","","90","","542.88","0.08","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming","Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2018","30","21","7823","","10.1021/acs.chemmater.8b03310","","","0.71073","MoKα","","0.0524","0.0437","","","0.0843","0.0878","","","","","","1.146","","","","has coordinates","231556","2020-10-21","18:00:00",""
"4003383","4.9431","0.0004","9.02","0.0007","6.0536","0.0005","90","","90.797","0.003","90","","269.88","0.04","273","2","273","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- F H6 N Na O4 P -","- F H6 N Na O4 P -","- F2 H12 N2 Na2 O8 P2 -","2","1","","Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming","Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2018","30","21","7823","","10.1021/acs.chemmater.8b03310","","","0.71073","MoKα","","0.0229","0.0222","","","0.0571","0.0574","","","","","","1.294","","","","has coordinates","231557","2020-10-21","18:00:00",""
"4003384","13.2025","0.0014","7.2951","0.0007","11.7574","0.0012","90","","119.71","0.004","90","","983.54","0.18","273","2","273","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C2 H12 F N6 O3 P -","- C2 H12 F N6 O3 P -","- C8 H48 F4 N24 O12 P4 -","4","1","","Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming","Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2018","30","21","7823","","10.1021/acs.chemmater.8b03310","","","0.71073","MoKα","","0.0569","0.0465","","","0.0949","0.0988","","","","","","1.144","","","","has coordinates","231558","2020-10-21","18:00:00",""
"4003385","81.554","0.003","81.554","0.003","7.1811","0.0003","90","","90","","120","","41363","3","100","2","100.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H86.96 N4 O4 S4 -","- C66 H86.962 N4 O4 S4 -","- C1188 H1565.32 N72 O72 S72 -","18","1","","Huang, Yiming; Xu, Zihao; Jin, Shijian; Li, Chenyang; Warncke, Kurt; Evangelista, Francesco A.; Lian, Tianquan; Egap, Eilaf","Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure, and Excited State Dynamics","Chemistry of Materials","2018","30","21","7840","","10.1021/acs.chemmater.8b03366","","","1.54178","CuKα","","0.1855","0.1385","","","0.3827","0.4171","","","","","","1.524","","","","has coordinates,has disorder","231559","2020-10-21","18:00:00",""
"4003386","8.6033","0.0019","11.704","0.003","12.974","0.004","67.75","0.003","76.075","0.004","70.501","0.003","1130","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N4 O4 S2 -","- C22 H28 N4 O4 S2 -","- C44 H56 N8 O8 S4 -","2","1","","Huang, Yiming; Xu, Zihao; Jin, Shijian; Li, Chenyang; Warncke, Kurt; Evangelista, Francesco A.; Lian, Tianquan; Egap, Eilaf","Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure, and Excited State Dynamics","Chemistry of Materials","2018","30","21","7840","","10.1021/acs.chemmater.8b03366","","","0.71073","MoKα","","0.1198","0.0644","","","0.1305","0.1496","","","","","","0.953","","","","has coordinates","231560","2020-10-21","18:00:00",""
"4003387","11.9625","0.0002","16.1003","0.0003","27.6827","0.0005","77.6816","0.0015","88.6733","0.0015","84.4995","0.0015","5184.93","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H59 N4 O4 S6 -","- C50 H59 N4 O4 S6 -","- C200 H236 N16 O16 S24 -","4","2","","Huang, Yiming; Xu, Zihao; Jin, Shijian; Li, Chenyang; Warncke, Kurt; Evangelista, Francesco A.; Lian, Tianquan; Egap, Eilaf","Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure, and Excited State Dynamics","Chemistry of Materials","2018","30","21","7840","","10.1021/acs.chemmater.8b03366","","x-ray","0.71073","MoKα","","0.1455","0.107","","","0.2814","0.3105","","","","","","1.03","","","","has coordinates","231561","2020-10-21","18:00:00",""
"4003388","9.7317","0.0003","13.5934","0.0005","19.6218","0.0006","90","","96.451","0.003","90","","2579.27","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 Cl3 N9 O18 Yb2 -","- C39 H42 Cl3 N9 O18 Yb2 -","- C78 H84 Cl6 N18 O36 Yb4 -","2","0.5","","Ashoka Sahadevan, Suchithra; Monni, Noemi; Abhervé, Alexandre; Marongiu, Daniela; Sarritzu, Valerio; Sestu, Nicola; Saba, Michele; Mura, Andrea; Bongiovanni, Giovanni; Cannas, Carla; Quochi, Francesco; Avarvari, Narcis; Mercuri, Maria Laura","Nanosheets of Two-Dimensional Neutral Coordination Polymers Based on Near-Infrared-Emitting Lanthanides and a Chlorocyananilate Ligand","Chemistry of Materials","2018","30","18","6575","","10.1021/acs.chemmater.8b03399","","","1.54184","CuKα","","0.056","0.0427","","","0.1044","0.1224","","","","","","1.07","","","","has coordinates","231562","2020-10-21","18:00:00",""
"4003389","13.89","0.0002","23.0192","0.0004","18.1488","0.0003","90","","98.162","0.002","90","","5744.06","0.16","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 Cl7 N9 Nd2 O18 -","- C41 H46 Cl7 N9 Nd2 O18 -","- C164 H184 Cl28 N36 Nd8 O72 -","4","0.5","","Ashoka Sahadevan, Suchithra; Monni, Noemi; Abhervé, Alexandre; Marongiu, Daniela; Sarritzu, Valerio; Sestu, Nicola; Saba, Michele; Mura, Andrea; Bongiovanni, Giovanni; Cannas, Carla; Quochi, Francesco; Avarvari, Narcis; Mercuri, Maria Laura","Nanosheets of Two-Dimensional Neutral Coordination Polymers Based on Near-Infrared-Emitting Lanthanides and a Chlorocyananilate Ligand","Chemistry of Materials","2018","30","18","6575","","10.1021/acs.chemmater.8b03399","","","1.54184","CuKα","","0.0491","0.0427","","","0.1014","0.1202","","","","","","1.107","","","","has coordinates,has disorder","231563","2020-10-21","18:00:00",""
"4003390","13.7965","0.0004","22.5774","0.0008","17.968","0.0008","90","","98.075","0.004","90","","5541.3","0.4","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 Cl7 Er2 N9 O18 -","- C41 H46 Cl7 Er2 N9 O18 -","- C164 H184 Cl28 Er8 N36 O72 -","4","0.5","","Ashoka Sahadevan, Suchithra; Monni, Noemi; Abhervé, Alexandre; Marongiu, Daniela; Sarritzu, Valerio; Sestu, Nicola; Saba, Michele; Mura, Andrea; Bongiovanni, Giovanni; Cannas, Carla; Quochi, Francesco; Avarvari, Narcis; Mercuri, Maria Laura","Nanosheets of Two-Dimensional Neutral Coordination Polymers Based on Near-Infrared-Emitting Lanthanides and a Chlorocyananilate Ligand","Chemistry of Materials","2018","30","18","6575","","10.1021/acs.chemmater.8b03399","","","1.54184","CuKα","","0.0589","0.05","","","0.1256","0.1376","","","","","","1.178","","","","has coordinates","231564","2020-10-21","18:00:00",""
"4003391","29.0062","0.0014","10.0042","0.0005","22.0701","0.0011","90","","129.462","0.001","90","","4944.5","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H29 N4 Ni1.5 O14 -","- C19 H25 N4 Ni1.5 O14 -","- C152 H200 N32 Ni12 O112 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.1168","0.0934","","","0.2752","0.3032","","","","","","1.029","","","","has coordinates","231565","2020-10-21","18:00:00",""
"4003392","28.71","0.011","10.017","0.003","22.795","0.006","90","","131.263","0.012","90","","4928","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N3 Ni1.5 O13 -","- C19 H22 N3 Ni1.5 O13 -","- C152 H176 N24 Ni12 O104 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0598","0.0493","","","0.1603","0.1697","","","","","","1.034","","","","has coordinates","231566","2020-10-21","18:00:00",""
"4003393","30.345","0.0013","10.0088","0.0004","22.7507","0.0009","90","","124.313","0.001","90","","5707.3","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N5 Ni1.5 O13.5 -","- C19 H23 N5 Ni1.5 O14 -","- C152 H184 N40 Ni12 O112 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0549","0.0489","","","0.1714","0.1812","","","","","","1.111","","","","has coordinates","231567","2020-10-21","18:00:00",""
"4003394","30.577","0.002","10.019","0.0008","22.7524","0.0017","90","","123.297","0.002","90","","5826","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H33 N3 Ni1.5 O15.5 -","- C21 H23 N3 Ni1.5 O15.5 -","- C168 H184 N24 Ni12 O124 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0601","0.0523","","","0.159","0.1725","","","","","","1.077","","","","has coordinates","231568","2020-10-21","18:00:00",""
"4003395","30.29","0.009","10.01","0.002","22.716","0.006","90","","124.309","0.007","90","","5689","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N5 Ni1.5 O13.5 -","- C19 H24 N5 Ni1.5 O14 -","- C152 H192 N40 Ni12 O112 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0612","0.0512","","","0.1681","0.1783","","","","","","1.065","","","","has coordinates","231569","2020-10-21","18:00:00",""
"4003396","28.835","0.002","10.0088","0.0006","21.924","0.003","90","","128.843","0.002","90","","4928.2","0.8","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N3 Ni1.5 O13 -","- C19 H20 N3 Ni1.5 O13 -","- C152 H160 N24 Ni12 O104 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0691","0.0608","","","0.2025","0.2186","","","","","","1.097","","","","has coordinates","231570","2020-10-21","18:00:00",""
"4003397","30.359","0.007","10.007","0.002","22.709","0.005","90","","124.027","0.007","90","","5718","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H29 N3 Ni1.5 O13.5 -","- C21 H25 N3 Ni1.5 O13.5 -","- C168 H200 N24 Ni12 O108 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0715","0.0566","","","0.1855","0.1972","","","","","","1.077","","","","has coordinates","231571","2020-10-21","18:00:00",""
"4003398","30.511","0.011","10.034","0.003","22.747","0.007","90","","124.442","0.014","90","","5743","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N5 Ni1.5 O13.5 -","- C19 H23 N5 Ni1.5 O14 -","- C152 H184 N40 Ni12 O112 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.058","0.049","","","0.1646","0.1729","","","","","","1.056","","","","has coordinates","231572","2020-10-21","18:00:00",""
"4003399","46.45","0.006","46.45","0.006","7.164","0.0014","90","","90","","120","","13386","4","566","2","566","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C23 H21 N3 O2 S4 -","- C23 N3 O2 S4 -","- C414 N54 O36 S72 -","18","1","","Shi, Yongqiang; Guo, Han; Qin, Minchao; Wang, Yuxi; Zhao, Jiuyang; Sun, Huiliang; Wang, Hang; Wang, Yulun; Zhou, Xin; Facchetti, Antonio; Lu, Xinhui; Zhou, Ming; Guo, Xugang","Imide-Functionalized Thiazole-Based Polymer Semiconductors: Synthesis, Structure‒Property Correlations, Charge Carrier Polarity, and Thin-Film Transistor Performance","Chemistry of Materials","2018","30","21","7988","","10.1021/acs.chemmater.8b03670","","","0.71073","MoKα","","0.1331","0.1121","","","0.297","0.3136","","","","","","1.655","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4003400","41.4633","0.0011","9.0279","0.0003","8.7717","0.0002","90","","90","","90","","3283.48","0.16","300","2","300","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H26 I7 N3 Pb2 -","- C15 H26 I7 N3 Pb2 -","- C60 H104 I28 N12 Pb8 -","4","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.115","0.0544","","","0.1142","0.131","","","","","","1.17","","","","has coordinates","231574","2020-10-21","18:00:00",""
"4003401","54.188","0.004","8.9661","0.0006","8.7984","0.0006","90","","90","","90","","4274.7","0.5","302","2","302","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C20 H1.25 I10 N6 Pb3 -","- C16 H32 I10 N4 Pb3 -","- C64 H128 I40 N16 Pb12 -","4","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.1468","0.0723","","","0.1812","0.2174","","","","","","1.025","","","","has coordinates","231575","2020-10-21","18:00:00",""
"4003402","38.8253","0.0014","8.9127","0.0003","8.8276","0.0003","90","","90.264","0.001","90","","3054.65","0.18","300","2","300","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H54 I14 N5 Pb4 -","- C17 H54 I14 N5 Pb4 -","- C34 H108 I28 N10 Pb8 -","2","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.0719","0.0467","","","0.1257","0.1399","","","","","","1.062","","","","has coordinates","231576","2020-10-21","18:00:00",""
"4003403","27.623","0.003","54.155","0.005","4.6034","0.0005","90","","90","","90","","6886.3","1.2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H24 I8 N2 O2 Pb3 -","- C14 H24 I8 N2 O2 Pb3 -","- C112 H192 I64 N16 O16 Pb24 -","8","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.0332","0.026","","","0.0618","0.0653","","","","","","1.038","","","","has coordinates","231577","2020-10-21","18:00:00",""
"4003404","13.799","0.003","8.966","0.002","8.758","0.002","90","","108.245","0.008","90","","1029.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C16 H48 I8 N4 Pb2 -","2","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.0697","0.0396","","","0.0881","0.0996","","","","","","1.022","","","","has coordinates","231578","2020-10-21","18:00:00",""
"4003405","12.9918","0.0005","24.4505","0.0009","22.1009","0.0009","90","","91.4855","0.0011","90","","7018.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H72 F8 Ir2 N16 O -","- C72 H72 F8 Ir2 N16 O -","- C288 H288 F32 Ir8 N64 O4 -","4","1","","Chen, Yi-Kuang; Kuo, Hsin-Hung; Luo, Dian; Lai, Yi-Ning; Li, Wei-Cheng; Chang, Chih-Hao; Escudero, Daniel; Jen, Alex K.-Y.; Hsu, Ling-Yang; Chi, Yun","Phenyl- and Pyrazolyl-Functionalized Pyrimidine: Versatile Chromophore of Bis-Tridentate Ir(III) Phosphors for Organic Light-Emitting Diodes","Chemistry of Materials","2018","31","17","6453","","10.1021/acs.chemmater.8b04278","","","0.71073","MoKα","","0.0367","0.0254","","","0.0505","0.0552","","","","","","1.049","","","","has coordinates,has disorder","231579","2020-10-21","18:00:00",""
"4003406","12.3992","0.0004","17.092","0.0005","17.1949","0.0005","90","","109.516","0.0008","90","","3434.71","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 F4 Ir N8 -","- C36 H35 F4 Ir N8 -","- C144 H140 F16 Ir4 N32 -","4","1","","Chen, Yi-Kuang; Kuo, Hsin-Hung; Luo, Dian; Lai, Yi-Ning; Li, Wei-Cheng; Chang, Chih-Hao; Escudero, Daniel; Jen, Alex K.-Y.; Hsu, Ling-Yang; Chi, Yun","Phenyl- and Pyrazolyl-Functionalized Pyrimidine: Versatile Chromophore of Bis-Tridentate Ir(III) Phosphors for Organic Light-Emitting Diodes","Chemistry of Materials","2018","31","17","6453","","10.1021/acs.chemmater.8b04278","","","0.71073","MoKα","","0.0318","0.0243","","","0.0504","0.0542","","","","","","1.082","","","","has coordinates,has disorder","231580","2020-10-21","18:00:00",""
"4003419","5.09","0.0002","9.28","0.0003","9.3946","0.0003","84.733","0.001","84.283","0.001","89.235","0.001","439.68","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 Au2 Cl4 Cu N4 O6 -","- C4 H12 Au2 Cl4 Cu N4 O6 -","- C4 H12 Au2 Cl4 Cu N4 O6 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0226","0.0211","","","0.0518","0.0524","","","","","","1.177","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003420","8.4718","0.0001","8.612","0.0001","10.6612","0.0001","86.056","0.001","81.895","0.001","86.063","0.001","766.869","0.015","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 Au2 Cl4 Cu N8 O4 -","- C16 H28 Au2 Cl4 Cu N8 O4 -","- C16 H28 Au2 Cl4 Cu N8 O4 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0368","0.0263","","","0.0642","0.0674","","","","","","1.059","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003421","8.3765","0.0002","8.4243","0.0002","10.8307","0.0003","90.153","0.002","92.457","0.002","92.463","0.001","762.86","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 Au2 Br4 Cu N8 O4 -","- C16 H28 Au2 Br4 Cu N8 O4 -","- C16 H28 Au2 Br4 Cu N8 O4 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0354","0.0266","","","0.0633","0.0656","","","","","","1.065","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003422","8.2802","0.0007","8.508","0.0007","11.2279","0.0009","80.18","0.0019","79.306","0.002","86.825","0.0019","765.63","0.11","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H24 Au2 Br4 Cu N4 O4 S4 -","- C12 H24 Au2 Br4 Cu N4 O4 S4 -","- C12 H24 Au2 Br4 Cu N4 O4 S4 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0631","0.0422","","","0.1043","0.1138","","","","","","1.037","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003423","11.6264","0.00015","8.091","0.0001","14.8596","0.00019","90","","104.857","0.0006","90","","1351.1","0.03","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Au2 Br4 Cu N4 O8 -","- C12 H24 Au2 Br4 Cu N4 O8 -","- C24 H48 Au4 Br8 Cu2 N8 O16 -","2","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0722","0.0345","","","0.0559","0.0636","","","","","","1.007","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003424","19.8327","0.0004","13.9821","0.0003","19.8634","0.0005","90","","118.153","0.001","90","","4856.51","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Au2 Cl4 Cu N4 O6 -","- C12 H20 Au2 Cl4 Cu N4 O6 -","- C96 H160 Au16 Cl32 Cu8 N32 O48 -","8","2","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0369","0.0304","","","0.0588","0.0608","","","","","","1.067","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003425","18.5292","0.0003","18.5292","0.0003","19.6529","0.0004","90","","90","","120","","5843.47","0.18","150","2","150","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C62 H62 Au6 Cu3 N22 O6 -","- C62 H62 Au6 Cu3 N22 O6 -","- C186 H186 Au18 Cu9 N66 O18 -","3","0.25","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0434","0.03","","","0.064","0.0713","","","","","","1.202","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003426","5.1126","0.0001","6.3189","0.0002","12.0396","0.0005","100.931","0.002","97.211","0.002","90.683","0.003","378.62","0.02","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C2 N O17 P4 Ti2 -","- C2 N O17 P4 Ti2 -","- C2 N O17 P4 Ti2 -","1","1","","Mafra, Luís; Rocha, João; Fernandez, Christian; Castro, Germán R.; García-Granda, Santiago; Espina, Aranzazu; Khainakov, Sergei A.; García, José R.","Characterization of Layered γ-Titanium Phosphate (C2H5NH3)[Ti(H1.5PO4)(PO4)]2·H2O Intercalate: A Combined NMR, Synchrotron XRD, and DFT Calculations Study","Chemistry of Materials","2008","20","12","3944","","10.1021/cm800165p","","x-ray","0.82648","","","","","","","","","0.08421","","0.5","","","","","","","has coordinates","239742","2020-10-21","18:00:00",""
"4003427","14.79527","0.00013","27.36341","0.00034","8.34464","0.00006","90","","90","","90","","3378.32","0.06","100","2","","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C3 Al4 O16 P4 -","- C3 Al4 O16 P4 -","- C24 Al32 O128 P32 -","8","1","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","0.826019","synchrotron","","","","","","","","0.17879","","4.59","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4003428","14.8022","0.0001","27.33066","0.00021","8.3487","0.00005","90","","90","","90","","3377.5","0.04","100","2","","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C2 Al4 N O16 P4 -","- C2 Al4 N O16 P4 -","- C16 Al32 N8 O128 P32 -","8","1","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","0.827267","synchrotron","","","","","","","","0.16515","","1.7","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4003429","14.79668","0.00013","27.5248","0.00026","8.32555","0.00004","90","","90","","90","","3390.79","0.05","100","2","","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- Al O4 P -","- Al O4 P -","- Al32 O128 P32 -","32","4","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","0.827267","synchrotron","","","","","","","","0.17188","","1.66","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4003430","14.7696","0.0006","27.6372","0.0011","8.35796","0.00022","90","","90","","90","","3411.6","0.2","290","2","290","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- Al O4 P -","- Al O4 P -","- Al32 O128 P32 -","32","4","","Han, Zhongxia; Picone, A. Lorena; Slawin, Alexandra M.Z.; Seymour, Valerie R.; Ashbrook, Sharon E.; Zhou, Wuzong; Thompson, Stephen P.; Parker, Julia E.; Wright, Paul A.","Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent","Chemistry of Materials","2010","22","2","338","","10.1021/cm902528y","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.1444","","3.19","","","","","","","has coordinates","239743","2020-10-21","18:00:00",""
"4003431","6.4244","0.0009","11.1727","0.0016","16.207","0.002","90","","94.208","0.004","90","","1160.2","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","NaUBO","","","- B12 Na2 O26 U2 -","- B12 Na2 O26 U2 -","- B24 Na4 O52 U4 -","2","0.5","","Liu, Wei; Song, Enhai; Cheng, Liwei; Song, Liping; Xie, Jian; Li, Guodong; Zhang, Yugang; Wang, Yanlong; Wang, Yaxing; Xia, Zhiguo; Chai, Zhifang; Wang, Shuao","Introducing Uranium as the Activator toward Highly Stable Narrow-Band Green Emitters with Near-Unity Quantum Efficiency","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03130","","","0.71073","MoKα","","0.0255","0.0243","","","0.0663","0.0668","","","","","","1.124","","","","has coordinates","242268","2020-10-21","18:00:00",""
"4003432","23.5987","0.0008","9.4951","0.0002","15.7871","0.0005","90","","91.653","0.003","90","","3535.98","0.18","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","2-bromo-N,N,N-trimethylethan-1-aminium tetrabromomanganate(II)","","- C12 H30 Br6 Mn N2 -","- C12 H30 Br6 Mn N2 -","- C72 H180 Br36 Mn6 N12 -","6","1.5","","Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.","Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03782","","x-ray","0.71073","MoKα","","0.1023","0.0577","","","0.0719","0.0813","","","","","","1.078","","","","has coordinates","243736","2020-10-21","18:00:00",""
"4003433","15.9617","0.0004","10.3605","0.0003","16.664","0.0004","90","","110.844","0.003","90","","2575.39","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-benzyl-N,N,N-trimethylammonium tetrabromomanganate(II)","","- C20 H44 Cl4 Mn N2 -","- C20 H44 Cl4 Mn N2 -","- C80 H176 Cl16 Mn4 N8 -","4","1","","Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.","Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03782","","x-ray","0.71073","MoKα","","0.0542","0.0421","","","0.0815","0.0857","","","","","","1.125","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4003434","9.7389","0.0002","9.3411","0.0002","15.7868","0.0003","90","","94.833","0.002","90","","1431.05","0.05","110","0.1","110","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-benzyl-N,N,N-trimethylammonium tetraiodomanganate(II)","","- C20 H32 I4 Mn N2 -","- C20 H32 I4 Mn N2 -","- C40 H64 I8 Mn2 N4 -","2","1","","Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.","Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03782","","x-ray","0.71073","MoKα","","0.0253","0.0239","","","0.0521","0.0528","","","","","","1.061","","","","has coordinates","243738","2020-10-21","18:00:00",""
"4003435","9.5066","0.0002","8.9878","0.0002","29.1439","0.0007","90","","91.006","0.002","90","","2489.77","0.1","130.01","0.1","130.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","N-benzyl-N,N,N-trimethylammonium tetrachloromanganate(II)","","- C20 H32 Cl4 Mn N2 -","- C20 H32 Cl4 Mn N2 -","- C80 H128 Cl16 Mn4 N8 -","4","2","","Morad, Viktoriia; Cherniukh, Ihor; Pöttschacher, Lena; Shynkarenko, Yevhen; Yakunin, Sergii; Kovalenko, Maksym V.","Manganese(II) in Tetrahedral Halide Environment: Factors Governing Bright Green Luminescence","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03782","","x-ray","0.71073","MoKα","","0.1125","0.103","","","0.2698","0.2797","","","","","","1.06","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4003436","10.7797","0.0004","10.8247","0.0004","13.9842","0.0005","95.93","0.003","111.005","0.002","104.877","0.002","1437.36","0.1","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","","1.54178","CuKα","","0.0722","0.0458","","","0.1146","0.1337","","","","","","1.007","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003437","10.8315","0.0006","10.9695","0.0005","14.0301","0.0006","96.526","0.004","110.256","0.003","105.326","0.004","1469","0.14","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","","1.54178","CuKα","","0.1012","0.0541","","","0.1264","0.1539","","","","","","0.92","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003438","9.7905","0.0004","9.3048","0.0006","16.1235","0.0007","90","","96.838","0.004","90","","1458.38","0.13","143","0.1","143","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","0.71073","MoKα","","0.0712","0.0461","","","0.0789","0.0877","","","","","","1.009","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003439","9.7865","0.0003","9.3003","0.0003","16.1043","0.0004","90","","96.748","0.003","90","","1455.62","0.07","292.5","0.4","292.5","0.4","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C78 H56 N6 -","2","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","1.54184","CuKα","","0.0575","0.0522","","","0.1389","0.1478","","","","","","1.039","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003440","9.6751","0.0003","19.2046","0.0007","15.8341","0.0005","90","","92.7","0.003","90","","2938.81","0.17","296.3","0.9","296.3","0.9","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H28 N3 -","- C39 H28 N3 -","- C156 H112 N12 -","4","1","","Hu, Xiaoguang; Chen, Hanjiao; Zhao, Lei; Miao, Maosheng; Zheng, Yonghao","Observation of a Solid-State-Induced Thermally Populated Spin-Triplet State in Radical Regioisomers","Chemistry of Materials","2019","31","24","10256","","10.1021/acs.chemmater.9b04495","","x-ray","1.54184","CuKα","","0.061","0.0518","","","0.1449","0.156","","","","","","1.016","","","","has coordinates","246544","2020-10-21","18:00:00",""
"4003441","9.8431","0.0014","9.8431","0.0014","10.8128","0.0013","90","","90","","120","","907.3","0.2","383","2","383","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H17 Br Cd N4 S3 -","- C9.98 Br Cd N4 S3 -","- C19.96 Br2 Cd2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.4592","0.3351","","","0.5509","0.5691","","","","","","1.336","","","","has coordinates","245091","2020-10-21","18:00:00",""
"4003442","9.5649","0.001","9.5649","0.001","10.7489","0.0009","90","","90","","120","","851.64","0.14","308","2","308","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H17 Cd F N4 S3 -","- C9.98 Cd F N4 S3 -","- C19.96 Cd2 F2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2098","0.173","","","0.3526","0.3558","","","","","","1.183","","","","has coordinates","245092","2020-10-21","18:00:00",""
"4003443","18.702","0.002","17.0024","0.0018","10.8512","0.0007","90","","90","","90","","3450.5","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Br Cd N4 S3 -","- C10 H17 Br Cd N4 S3 -","- C80 H136 Br8 Cd8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.101","0.0698","","","0.1638","0.1793","","","","","","1.044","","","","has coordinates","245093","2020-10-21","18:00:00",""
"4003444","17.8302","0.0005","17.2839","0.0006","10.7115","0.0003","90","","90","","90","","3301.02","0.17","253","2","253","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cd F N4 S3 -","- C10 H17 Cd F N4 S3 -","- C80 H136 Cd8 F8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.0271","0.0238","","","0.1025","0.1125","","","","","","1.018","","","","has coordinates","245094","2020-10-21","18:00:00",""
"4003445","9.7644","0.0014","9.7644","0.0014","10.8126","0.0015","90","","90","","120","","892.8","0.2","360","2","360","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C10 H17 Cd Cl N4 S3 -","- C9.98 Cd Cl N4 S3 -","- C19.96 Cd2 Cl2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2315","0.1876","","","0.3751","0.3811","","","","","","1.519","","","","has coordinates","245095","2020-10-21","18:00:00",""
"4003446","9.5741","0.0008","9.5741","0.0008","10.7918","0.0006","90","","90","","120","","856.68","0.11","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C10 H18 Cd N4 S3 -","- C9.98 Cd N4 S3 -","- C19.96 Cd2 N8 S6 -","2","0.0833333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2203","0.203","","","0.3833","0.3848","","","","","","1.173","","","","has coordinates","245096","2020-10-21","18:00:00",""
"4003447","18.4818","0.0012","17.0544","0.0011","10.8438","0.0003","90","","90","","90","","3417.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cd Cl N4 S3 -","- C10 H17 Cd Cl N4 S3 -","- C80 H136 Cd8 Cl8 N32 S24 -","8","1","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.1011","0.0613","","","0.1785","0.2087","","","","","","1.042","","","","has coordinates","245097","2020-10-21","18:00:00",""
"4003448","9.3596","0.0005","9.3596","0.0005","10.7347","0.0005","90","","90","","120","","814.4","0.07","123","2","123","2","","","","","","","","5","P 63","P 6c","173","","","","- C10 H18 Cd N4 S3 -","- C10 Cd N4 S3 -","- C20 Cd2 N8 S6 -","2","0.333333","","He, Lei; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","One-Dimensional Cadmium Thiocyanate Perovskite Ferroelastics Tuned by Halogen Substitution","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04232","","","0.71073","MoKα","","0.2106","0.2043","","","0.3446","0.3481","","","","","","1.067","","","","has coordinates","245098","2020-10-21","18:00:00",""
"4003449","9.7129","0.0005","3.7122","0.0002","10.9575","0.0005","90","","102.007","0.001","90","","386.44","0.03","293","2","293","2","","","","","","","","5","P 1 m 1","P -2y","6","","","","- F4 I K5 O12 W3 -","- F4 I K5 O12 W3 -","- F4 I K5 O12 W3 -","1","0.5","","Wu, Chao; Lin, Lin; Jiang, Xingxing; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Halasyamani, P. Shiv; Zhang, Chi","K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold","Chemistry of Materials","2019","31","24","10100","","10.1021/acs.chemmater.9b03214","","","0.71073","MoKα","","0.0389","0.0388","","","0.1014","0.1018","","","","","","1.109","","","","has coordinates","246543","2020-10-21","18:00:00",""
"4003450","13.0497","0.0008","19.8573","0.0011","8.9019","0.0005","90","","99.657","0.006","90","","2274.1","0.2","100","0.14","100","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 -","- C30 H26 N4 -","- C120 H104 N16 -","4","1","","Jia, Ji-Hui; Liang, Dong; Yu, Rongmin; Chen, Xu-Lin; Meng, Lingyi; Chang, Jian-Fei; Liao, Jian-Zhen; Yang, Mingxue; Li, Xiao-Ning; Lu, Can-Zhong","Coordination-Induced Thermally Activated Delayed Fluorescence: From Non-TADF Donor‒Acceptor-Type Ligand to TADF-Active Ag-Based Complexes","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b04585","","x-ray","0.71073","MoKα","","0.0661","0.0502","","","0.1144","0.1267","","","","","","1.041","","","","has coordinates","245555","2020-10-21","18:00:00",""
"4003451","17.3118","0.0007","17.3118","0.0007","21.7019","0.0008","90","","90","","120","","5632.7","0.4","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H120 Br12 N6 Pb3 -","- C54 H120 Br12 N6 Pb3 -","- C162 H360 Br36 N18 Pb9 -","3","0.166667","","Lee, Sujin; Zhou, Chenkun; Neu, Jennifer; Beery, Drake; Arcidiacono, Ashley; Chaaban, Maya; Lin, Haoran; Gaiser, Alyssa; Chen, Banghao; Albrecht-Schmitt, Thomas E.; Siegrist, Theo; Ma, Biwu","Bulk Assemblies of Lead Bromide Trimer Clusters with Geometry-Dependent Photophysical Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03893","","","0.71073","MoKα","","0.0231","0.0225","","0.0596","0.0592","0.0596","","","","","","1.0487","","","","has coordinates","246200","2020-10-21","18:00:00",""
"4003452","14.9238","0.0003","14.9238","0.0003","30.6972","0.0007","90","","90","","120","","5920.9","0.2","111","","111","","","","","","","","","6","P 63","P 6c","173","","","","- C81 H180 Br19 N9 Pb3 Zn2 -","- C81 H180 Br19 N9 Pb3 Zn2 -","- C162 H360 Br38 N18 Pb6 Zn4 -","2","0.333333","","Lee, Sujin; Zhou, Chenkun; Neu, Jennifer; Beery, Drake; Arcidiacono, Ashley; Chaaban, Maya; Lin, Haoran; Gaiser, Alyssa; Chen, Banghao; Albrecht-Schmitt, Thomas E.; Siegrist, Theo; Ma, Biwu","Bulk Assemblies of Lead Bromide Trimer Clusters with Geometry-Dependent Photophysical Properties","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b03893","","","0.71073","MoKα","","0.0777","0.0657","","0.1872","0.1701","0.1701","","","","","","1.0847","","","","has coordinates","246201","2020-10-21","18:00:00",""
"4003453","19.86","0.005","7.617","0.0018","25.334","0.006","90","","90","","90","","3832.4","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H15 N5 O Pt -","- C25 H15 N5 O Pt -","- C200 H120 N40 O8 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0613","0.0412","","","0.094","0.1026","","","","","","1.063","","","","has coordinates","246479","2020-10-21","18:00:00",""
"4003454","19.991","0.007","7.549","0.003","25.31","0.009","90","","90","","90","","3820","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H15 N3 O2 Pt -","- C26 H15 N3 O2 Pt -","- C208 H120 N24 O16 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0444","0.03","","","0.0726","0.0769","","","","","","1.026","","","","has coordinates","246480","2020-10-21","18:00:00",""
"4003455","17.8692","0.0008","7.5528","0.0004","28.1923","0.0015","90","","90","","90","","3804.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H15 N5 O Pt -","- C25 H15 N5 O Pt -","- C200 H120 N40 O8 Pt8 -","8","1","","Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin","Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04263","","","0.71073","MoKα","","0.0298","0.0236","","","0.0557","0.0582","","","","","","1.05","","","","has coordinates","246481","2020-10-21","18:00:00",""
"4003456","11.5984","0.0002","11.5984","0.0002","5.18","0.0002","90","","90","","90","","696.83","0.03","293","2","293","2","","","","","","","","5","P 4 n c","P 4 -2n","104","","","","- Ge4 K4 Li2 O13 Ti -","- Ge4 K4 Li2 O13 Ti -","- Ge8 K8 Li4 O26 Ti2 -","2","0.25","","Xu, Jingjing; Wu, Hongping; Yu, Hongwei; Zhang, Weiguo; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv","Li2K4TiOGe4O12: A Stable Mid-Infrared Nonlinear Optical Material","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05267","","","0.71073","MoKα","","0.0196","0.0175","","","0.0296","0.03","","","","","","1.065","","","","has coordinates","246777","2020-10-21","18:00:00",""
"4003457","12.384","0.0003","17.0244","0.0003","13.5782","0.0003","90","","109.56","0.002","90","","2697.49","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0597","0.0562","","","0.1501","0.1537","","","","","","1.069","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003458","12.4074","0.0004","17.0305","0.0004","13.6005","0.0004","90","","109.67","0.004","90","","2706.15","0.15","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0687","0.0646","","","0.174","0.1797","","","","","","1.06","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003459","12.4369","0.0003","17.0361","0.0003","13.641","0.0003","90","","109.86","0.003","90","","2718.31","0.11","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0596","0.0555","","","0.1503","0.1551","","","","","","1.059","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003460","12.4534","0.0004","17.0371","0.0003","13.676","0.0003","90","","109.956","0.003","90","","2727.41","0.13","250.01","0.1","250.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cd N7 O5 -","- C29 H25 Cd N7 O5 -","- C116 H100 Cd4 N28 O20 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0643","0.0584","","","0.1586","0.1656","","","","","","1.054","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003461","12.3259","0.0006","17.1167","0.0005","13.7003","0.0006","90","","110.171","0.005","90","","2713.2","0.2","300","0.1","300","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cd N7 O4 -","- C29 H23 Cd N7 O4 -","- C116 H92 Cd4 N28 O16 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","x-ray","1.54184","CuKα","","0.0743","0.0635","","","0.1762","0.1888","","","","","","1.031","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003462","11.344","0.002","17.292","0.002","13.719","0.003","90","","106.5","0.02","90","","2580.3","0.8","325","2","325","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Cd N7 O3 -","- C29 H21 Cd N7 O3 -","- C116 H84 Cd4 N28 O12 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.1375","0.103","","","0.2471","0.2816","","","","","","1.067","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003463","10.503","0.0014","17.522","0.002","13.9074","0.0014","90","","105.134","0.012","90","","2470.7","0.5","350","2","350","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cd N7 O2 -","- C29 H19 Cd N7 O2 -","- C116 H76 Cd4 N28 O8 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.1834","0.0956","","","0.1935","0.2599","","","","","","1.065","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003464","10.4468","0.0014","17.562","0.004","13.972","0.003","90","","105.159","0.016","90","","2474.2","0.9","375","2","375","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cd N7 O2 -","- C29 H19 Cd N7 O2 -","- C116 H76 Cd4 N28 O8 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.4338","0.2917","","","0.5155","0.5901","","","","","","1.277","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003465","10.4358","0.0009","17.5707","0.001","13.982","0.002","90","","105.29","0.011","90","","2473.1","0.5","400","2","400","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 Cd N7 O2 -","- C29 H19 Cd N7 O2 -","- C116 H76 Cd4 N28 O8 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.3685","0.2924","","","0.5321","0.5814","","","","","","1.179","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003466","11.976","0.006","17.209","0.002","13.762","0.007","90","","108.69","0.05","90","","2687","2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Cd N7 O3 -","- C29 H21 Cd N7 O3 -","- C116 H84 Cd4 N28 O12 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.2454","0.1871","","","0.3572","0.3919","","","","","","1.079","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003467","12.284","0.0007","17.0978","0.0006","13.5939","0.0007","90","","109.45","0.006","90","","2692.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Cd N7 O4 -","- C29 H23 Cd N7 O4 -","- C116 H92 Cd4 N28 O16 -","4","1","","Wang, Zheng; Zhu, Cheng-Yi; Wei, Zhang-Wen; Fan, Ya-Nan; Pan, Mei","Breathing-Ignited Long Persistent Luminescence in a Resilient Metal‒Organic Framework","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04440","","","1.54184","CuKα","","0.0851","0.0668","","","0.168","0.1893","","","","","","1.1","","","","has coordinates","246778","2020-10-21","18:00:00",""
"4003468","14.252","0.003","14.372","0.003","14.776","0.003","90","","90","","90","","3026.6","1.1","295","2","295","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- Pd15.54 Sc54.4 -","- Pd15.54 Sc55.4 -","- Pd31.08 Sc110.8 -","2","0.125","","Solokha, Pavlo; Eremin, Roman A.; Leisegang, Tilmann; Proserpio, Davide M.; Akhmetshina, Tatiana; Gurskaya, Albina; Saccone, Adriana; De Negri, Serena","New Quasicrystal Approximant in the Sc‒Pd System: From Topological Data Mining to the Bench","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03767","","","0.71073","MoKα","","0.0672","0.0374","","","0.0689","0.0766","","","","","","1.056","","","","has coordinates,has disorder","247263","2020-10-21","18:00:00",""
"4003469","14.2722","0.0007","14.3714","0.0007","14.7878","0.0007","90","","90","","90","","3033.1","0.3","295","2","295","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- Pd15.52 Sc54.98 -","- Pd15.516 Sc54.98 -","- Pd31.032 Sc109.96 -","2","0.125","","Solokha, Pavlo; Eremin, Roman A.; Leisegang, Tilmann; Proserpio, Davide M.; Akhmetshina, Tatiana; Gurskaya, Albina; Saccone, Adriana; De Negri, Serena","New Quasicrystal Approximant in the Sc‒Pd System: From Topological Data Mining to the Bench","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03767","","","0.71073","MoKα","","0.028","0.0245","","","0.0577","0.0591","","","","","","1.093","","","","has coordinates,has disorder","247263","2020-10-21","18:00:00",""
"4003470","5.9701","0.0001","11.8291","0.0002","11.8582","0.0002","90","","92.361","0.002","90","","836.73","0.02","293.52","0.1","293.52","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H7 Br3 N2 Pb -","- C H7 Br3 N2 Pb -","- C4 H28 Br12 N8 Pb4 -","4","2","","Ma̧czka, Mirosl̷aw; Ptak, Maciej; Ga̧gor, Anna; Stefańska, Dagmara; Zarȩba, Jan K.; Sieradzki, Adam","Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05273","","x-ray","0.71073","MoKα","","0.0185","0.0176","","","0.0399","0.0401","","","","","","1.099","","","","has coordinates","247898","2020-10-21","18:00:00",""
"4003471","6.0354","0.0004","6.0354","0.0004","6.0354","0.0004","90","","90","","90","","219.85","0.03","430.01","0.1","430.01","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H7 Br3 N2 Pb -","- C0.9996 Br3 N2.0004 Pb -","- C0.9996 Br3 N2.0004 Pb -","1","0.0208333","","Ma̧czka, Mirosl̷aw; Ptak, Maciej; Ga̧gor, Anna; Stefańska, Dagmara; Zarȩba, Jan K.; Sieradzki, Adam","Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05273","","x-ray","0.71073","MoKα","","0.0282","0.0267","","","0.0618","0.0637","","","","","","1.135","","","","has coordinates","247899","2020-10-21","18:00:00",""
"4003472","5.17589","0.00005","5.17589","0.00005","13.86668","0.00014","90","","90","","120","","321.716","0.005","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Li0.82Mn0.18Fe0.09Nb0.91O3","- Fe0.09 Li0.82 Mn0.18 Nb0.91 O3 -","- Fe0.09 Li0.82 Mn0.18 Nb0.91 O3 -","- Fe0.54 Li4.92 Mn1.08 Nb5.46 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","248044","2020-10-21","18:00:00",""
"4003473","5.23421","0.00003","5.23421","0.00003","13.915","0.0001","90","","90","","120","","330.154","0.004","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Li0.43Mn0.57Fe0.28Nb0.72O3","- Fe0.28 Li0.43 Mn0.57 Nb0.72 O3 -","- Fe0.29 Li0.43 Mn0.57 Nb0.71 O3 -","- Fe1.74 Li2.58 Mn3.42 Nb4.26 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","248045","2020-10-21","18:00:00",""
"4003474","5.22485","0.00003","5.22485","0.00003","13.9028","0.0001","90","","90","","120","","328.686","0.004","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Li0.54Mn0.46Fe0.23Nb0.77O3","- Fe0.23 Li0.54 Mn0.46 Nb0.77 O3 -","- Fe0.23 Li0.54 Mn0.46 Nb0.77 O3 -","- Fe1.38 Li3.24 Mn2.76 Nb4.62 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","248046","2020-10-21","18:00:00",""
"4003475","5.19699","0.00001","5.19699","0.00001","13.87683","0.00004","90","","90","","120","","324.582","0.0013","298","","298","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","Li0.67Mn0.33Fe0.17Nb0.83O3","- Fe0.17 Li0.67 Mn0.33 Nb0.83 O3 -","- Fe0.167 Li0.67 Mn0.33 Nb0.833 O3 -","- Fe1.002 Li4.02 Mn1.98 Nb4.998 O18 -","6","0.333333","","Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong","Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05051","","","0.69","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","248047","2020-10-21","18:00:00",""
"4003476","13.0283","0.00025","13.0283","0.00025","8.7499","0.00016","90","","90","","120","","1286.2","0.04","298","","298","","","","100","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C6 F9 Fe O6 -","- C6 F9 Fe O6 -","- C24 F36 Fe4 O24 -","4","0.666667","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","0.02483","","0.18385","","2.117","","","","","","","has coordinates","248087","2020-10-21","18:00:00",""
"4003477","7.13216","0.00031","7.53768","0.00025","11.25845","0.00029","90","","90","","90","","605.25","0.04","298","","298","","","","100","","","","","4","C m m a","-C 2a 2","67","","","","- C2 F5 Fe O2 -","- C2 F5 Fe O2 -","- C8 F20 Fe4 O8 -","4","0.25","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","0.02295","","0.13918","","1.809","","","","","","","has coordinates","248088","2020-10-21","18:00:00",""
"4003478","16.9559","0.0016","28.654","0.002","31.215","0.002","90","","90","","90","","15166","2","100","0.11","100","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 F56 Fe8 O32 -","- C32 F56 Fe8 O32 -","- C256 F448 Fe64 O256 -","8","1","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","","x-ray","1.54178","CuKα","","0.1869","0.1669","","","0.4568","0.4732","","","","","","2.098","","","","has coordinates,has disorder","248089","2020-10-21","18:00:00",""
"4003479","8.483","0.002","8.5123","0.0015","14.559","0.003","106.748","0.016","92.231","0.018","90.877","0.017","1005.6","0.4","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 F16 Fe2 O10 -","- C10 F16 Fe2 O10 -","- C20 F32 Fe4 O20 -","2","1","","Wörle, Michael; Guntlin, Christoph P.; Gyr, Luzia; Sougrati, Moulay T.; Lambert, Charles-Henri; Kravchyk, Kostiantyn V.; Zenobi, Renato; Kovalenko, Maksym V.","Structural Evolution of Iron(III) Trifluoroacetate upon Thermal Decomposition: Chains, Layers, and Rings","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05004","","x-ray","1.54184","CuKα","","0.1766","0.0996","","","0.2745","0.3125","","","","","","1.075","","","","has coordinates,has disorder","248090","2020-10-21","18:00:00",""
"4003480","11.7409","0.0005","11.0295","0.0004","12.9724","0.0005","90","","90","","90","","1679.88","0.11","473","","473","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 B11 Br6 Li -","- C H6 B11 Br6 Li -","- C4 H24 B44 Br24 Li4 -","4","0.5","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","synchrotron","","","","","","","","","4.12","","","","","","","","has coordinates","248131","2020-10-21","18:00:00",""
"4003481","12.2381","0.0019","12.0569","0.0016","22.007","0.003","90","","90","","90","","3247.2","0.8","423","","423","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H6 B11 Cl6 Na -","- C H6 B11 Cl6 Na -","- C8 H48 B88 Cl48 Na8 -","8","1","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","synchrotron","","","","","","","","","4.0826","","","","","","","","has coordinates","248132","2020-10-21","18:00:00",""
"4003482","11.6879","0.0006","11.1093","0.0005","11.3771","0.0005","90","","90","","90","","1477.25","0.12","373","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","LiHCB11H5Cl6","","- C H6 B11 Cl6 Li -","- C H6 B11 Cl6 Li -","- C4 H24 B44 Cl24 Li4 -","4","0.5","","Jørgensen, Mathias; Shea, Patrick T.; Tomich, Anton W.; Varley, Joel B.; Bercx, Marnik; Lovera, Sergio; Černý, Radovan; Zhou, Wei; Udovic, Terrence J.; Lavallo, Vincent; Jensen, Torben R.; Wood, Brandon C.; Stavila, Vitalie","Understanding Superionic Conductivity in Lithium and Sodium Salts of Weakly Coordinating Closo-Hexahalocarbaborate Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04383","powder diffraction","","","Synchrotron","","","","","","","","","5.4943","","","","","","","","has coordinates","248133","2020-10-21","18:00:00",""
"4003483","18.9984","0.0003","3.80922","0.00006","26.9065","0.0004","90","","97.5378","0.0016","90","","1930.37","0.05","170","0.13","170","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F2 O4 S4 -","- C20 H12 F2 O4 S4 -","- C80 H48 F8 O16 S16 -","4","0.5","","Li, Sunsun; Zhao, Wenchao; Zhang, Jianqi; Liu, Xiaoyu; Zheng, Zhong; He, Chang; Xu, Bowei; Wei, Zhixiang; Hou, Jianhui","Influence of Covalent and Noncovalent Backbone Rigidification Strategies on the Aggregation Structures of a Wide-Band-Gap Polymer for Photovoltaic Cells","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04971","","x-ray","1.54184","CuKα","","0.0348","0.0339","","","0.0968","0.0976","","","","","","1.087","","","","has coordinates,has disorder","248323","2020-10-21","18:00:00",""
"4003484","6.0661","0.0002","7.2535","0.0003","10.8143","0.0004","72.49","0.004","86.288","0.003","69.213","0.003","423.78","0.03","169.99","0.1","169.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 O4 S4 -","- C18 H12 O4 S4 -","- C18 H12 O4 S4 -","1","0.5","","Li, Sunsun; Zhao, Wenchao; Zhang, Jianqi; Liu, Xiaoyu; Zheng, Zhong; He, Chang; Xu, Bowei; Wei, Zhixiang; Hou, Jianhui","Influence of Covalent and Noncovalent Backbone Rigidification Strategies on the Aggregation Structures of a Wide-Band-Gap Polymer for Photovoltaic Cells","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04971","","x-ray","1.54184","CuKα","","0.1072","0.0993","","","0.2893","0.3011","","","","","","1.103","","","","has coordinates","248324","2020-10-21","18:00:00",""
"4003485","8.3518","0.0009","8.3518","0.0009","4.2368","0.0009","90","","90","","120","","255.93","0.07","120","2","120","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0279","0.0255","","","0.042","0.0426","","","","","","0.989","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003486","8.3343","0.0016","8.3343","0.0016","4.2279","0.0016","90","","90","","120","","254.33","0.12","135","2","135","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0303","0.026","","","0.043","0.0439","","","","","","1.031","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003487","8.3512","0.001","8.3512","0.001","4.2356","0.001","90","","90","","120","","255.83","0.07","170","2","170","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0349","0.0299","","","0.0522","0.0542","","","","","","1.039","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003488","8.3486","0.0011","8.3486","0.0011","4.2342","0.0012","90","","90","","120","","255.58","0.09","190","2","190","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0301","0.0263","","","0.0445","0.046","","","","","","1.046","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003489","8.3609","0.0008","8.3609","0.0008","4.2387","0.0008","90","","90","","120","","256.61","0.06","210","2","210","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0294","0.026","","","0.0427","0.0436","","","","","","0.909","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003490","8.3512","0.0007","8.3512","0.0007","4.2343","0.0008","90","","90","","120","","255.75","0.06","230","2","230","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0282","0.0249","","","0.0371","0.0378","","","","","","0.99","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003491","8.3561","0.0008","8.3561","0.0008","4.2354","0.0009","90","","90","","120","","256.11","0.06","250","2","250","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.027","0.0249","","","0.0447","0.0451","","","","","","1.103","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003492","8.359","0.002","8.359","0.002","4.231","0.003","90","","90","","120","","256","0.2","270","2","270","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0329","0.0287","","","0.0498","0.0508","","","","","","1.044","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003493","8.3663","0.0015","8.3663","0.0015","4.2399","0.0016","90","","90","","120","","257.01","0.12","290","2","290","2","","","","","","","","3","P -6 2 m","P -6 -2","189","","","","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","- Bi2 Fe Gd6 -","1","0.0833333","","Zhang, Jiliang; Lee, Jey-Jau; Yang, Tonghan; He, Wei; Kang, Yong-Mook; Bobev, Svilen","Tunable Magnetic Exchange between Rare-Earth Metal 5d and Iron 3d States: A Case Study of the Multiple Magnetic Transitions in Gd6FeBi2 and the Solid Solutions Dy6‒xGdxFeBi2 (1 ≤ x ≤ 5) with Curie Temperatures in the Range 120‒350 K","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00060","","","0.71073","MoKα","","0.0374","0.0308","","","0.0473","0.0489","","","","","","1.055","","","","has coordinates","248377","2020-10-21","18:00:00",""
"4003494","20.5606","0.0005","20.5606","0.0005","20.5606","0.0005","90","","90","","90","","8691.8","0.4","146","2","146.41","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C60 H72 O32 Zr6 -","- C60 H96 O32 Zr6 -","- C240 H384 O128 Zr24 -","4","0.0208333","","Idrees, Karam B.; Chen, Zhijie; Zhang, Xuan; Mian, Mohammad Rasel; Drout, Riki J.; Islamoglu, Timur; Farha, Omar K.","Tailoring Pore Aperture and Structural Defects in Zirconium-Based Metal‒Organic Frameworks for Krypton/Xenon Separation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05048","","x-ray","0.71073","MoKα","","0.0928","0.0889","","","0.2536","0.2601","","","","","","1.136","","","","has coordinates,has disorder","248445","2020-10-21","18:00:00",""
"4003495","10.025","0.01","8.764","0.009","8.073","0.008","90","","90","","90","","709.3","1.2","296","2","296.15","","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B5 F3 O7 Pb -","- B5 F3 O7 Pb -","- B20 F12 O28 Pb4 -","4","0.5","","Han, Shujuan; Mutailipu, Miriding; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","PbB5O7F3: A High-Performing Short-Wavelength Nonlinear Optical Material","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00150","","","0.71073","MoKα","","0.0261","0.0252","","","0.0418","0.0422","","","","","","0.948","","","","has coordinates","248531","2020-10-21","18:00:00",""
"4003496","8.396","0.0007","23.11","0.002","22.285","0.002","90","","90.626","0.003","90","","4323.7","0.6","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 Bi2 I10 N3 -","- C21 H30 Bi2 I10 N3 -","- C84 H120 Bi8 I40 N12 -","4","0.5","","Pious, Johnpaul K.; Muthu, Chinnadurai; Dani, Selgiya; Saeki, Akinori; Nair, Vijayakumar C.","Bismuth-Based Zero-Dimensional Perovskite-like Materials: Effect of Benzylammonium on Dielectric Confinement and Photoconductivity","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00390","","","0.71073","MoKα","","0.088","0.0856","","","0.1908","0.1931","","","","","","1.115","","","","has coordinates,has disorder","248596","2020-10-21","18:00:00",""
"4003497","5.0576","0.0005","6.2808","0.0006","8.3865","0.0008","87.68","0.002","88.647","0.001","89.031","0.001","266.08","0.04","296","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- I4 O12 Sn -","- I4 O12 Sn -","- I4 O12 Sn -","1","0.5","","Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning","Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2","Chemistry of Materials","2020","32","6","2615","2620","10.1021/acs.chemmater.0c00196","","","0.71073","MoKα","","0.0291","0.0273","","","0.0643","0.0651","","","","","","1.264","","","","has coordinates","257100","2020-10-21","18:00:00",""
"4003498","5.436","0.013","9.91","0.02","6.281","0.015","90","","105.44","0.05","90","","326.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- F2 I2 O6 Sn -","- F2 I2 O6 Sn -","- F4 I4 O12 Sn2 -","2","1","","Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning","Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2","Chemistry of Materials","2020","32","6","2615","2620","10.1021/acs.chemmater.0c00196","","","0.71073","MoKα","","0.0359","0.0328","","","0.065","0.0656","","","","","","0.905","","","","has coordinates","257100","2020-10-21","18:00:00",""
"4003499","5.498","0.0004","5.498","0.0004","9.211","0.001","90","","90","","90","","278.43","0.04","153","2","153","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu P S4 Zn -","- Cu P S4 Zn -","- Cu2 P2 S8 Zn2 -","2","0.125","","Li, Zhuang; Zhang, Shengzi; Huang, Zhiwei; Zhao, Li-Dong; Uykur, Ece; Xing, Wenhao; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Molecular Construction from AgGaS2 to CuZnPS4: Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00609","","x-ray","0.71073","MoKα","","0.019","0.0189","","","0.0495","0.0495","","","","","","1.302","","","","has coordinates","249451","2020-10-21","18:00:00",""
"4003500","8.446","0.004","8.446","0.004","21.998","0.019","90","","90","","120","","1359","1.5","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- Cs K Mo O9 P2 -","- Cs K Mo O9 P2 -","- Cs6 K6 Mo6 O54 P12 -","6","1","","Baiheti, Tuohetijiang; Han, Shujuan; Tudi, Abudukadi; Yang, Zhihua; Pan, Shilie","Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00610","","","0.71073","MoKα","","0.028","0.0263","","","0.055","0.0563","","","","","","1.046","","","","has coordinates","249579","2020-10-21","18:00:00",""
"4003501","8.7489","0.0002","8.7489","0.0002","18.9924","0.0009","90","","90","","90","","1453.74","0.08","173","2","173.15","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C30 H22 Co I2 N6 -","- C30 H22 Co I2 N6 -","- C60 H44 Co2 I4 N12 -","2","0.25","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.083","0.0472","","","0.0737","0.0821","","","","","","1.08","","","","has coordinates","249618","2020-10-21","18:00:00",""
"4003502","8.8299","0.0009","8.8299","0.0009","19.151","0.003","90","","90","","90","","1493.1","0.3","400","2","400","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C30 H22 Co I2 N6 -","- C30 H22 Co I2 N6 -","- C60 H44 Co2 I4 N12 -","2","0.25","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1488","0.0686","","","0.1019","0.1244","","","","","","1.061","","","","has coordinates","249619","2020-10-21","18:00:00",""
"4003503","20.3104","0.0009","15.1875","0.0007","24.1736","0.0012","90","","90","","90","","7456.7","0.6","60","2","59.97","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.025","0.022","","","0.0406","0.0412","","","","","","1.288","","","","has coordinates","249620","2020-10-21","18:00:00",""
"4003504","18.9848","0.0004","12.1745","0.0002","25.0029","0.0005","90","","91.073","0.002","90","","5777.92","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H26 Co F12 I8 N6 O -","- C49 H25 Co F12 I8 N6 O -","- C196 H100 Co4 F48 I32 N24 O4 -","4","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0653","0.0358","","","0.0717","0.0768","","","","","","0.929","","","","has coordinates","249621","2020-10-21","18:00:00",""
"4003505","19.3934","0.0009","12.3384","0.0008","25.1198","0.0013","90","","91.371","0.004","90","","6009","0.6","385","2","385.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H22 Co F12 I8 N6 -","- C48 H22 Co F12 I8 N6 -","- C192 H88 Co4 F48 I32 N24 -","4","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1531","0.0934","","","0.2372","0.2824","","","","","","1.031","","","","has coordinates,has disorder","249622","2020-10-21","18:00:00",""
"4003506","20.314","0.003","15.056","0.0014","24.098","0.003","90","","90","","90","","7370.3","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1175","0.0737","","","0.1817","0.2101","","","","","","1.056","","","","has coordinates","249623","2020-10-21","18:00:00",""
"4003507","19.717","0.003","14.242","0.0014","23.529","0.003","90","","90","","90","","6607.2","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1256","0.0716","","","0.137","0.1542","","","","","","1.11","","","","has coordinates","249623","2020-10-21","18:00:00",""
"4003508","19.602","0.003","14.0363","0.0014","23.14","0.003","90","","90","","90","","6366.7","1.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1754","0.1153","","","0.2866","0.382","","","","","","1.438","","","","has coordinates,has disorder","249623","2020-10-21","18:00:00",""
"4003509","19.431","0.011","13.831","0.003","22.9","0.014","90","","90","","90","","6154","5","299","2","299.5","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.241","0.1513","","","0.3951","0.5534","","","","","","0.928","","","","has coordinates,has disorder","249623","2020-10-21","18:00:00",""
"4003510","15.174","0.0009","20.313","0.0012","24.0911","0.0015","90","","90","","90","","7425.6","0.8","30","2","30","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","2","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0183","0.0167","","","0.0341","0.0346","","","","","","1.086","","","","has coordinates","249624","2020-10-21","18:00:00",""
"4003511","9.1962","0.0002","14.1731","0.0003","27.5921","0.0005","89.8991","0.0017","83.9449","0.0017","77.606","0.002","3492.1","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H26 Co F12 I14 N6 O -","- C55 H26 Co F12 I14 N6 O -","- C110 H52 Co2 F24 I28 N12 O2 -","2","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0466","0.0281","","","0.05","0.0523","","","","","","0.909","","","","has coordinates","249625","2020-10-21","18:00:00",""
"4003512","19.2338","0.0004","12.1188","0.0003","25.0418","0.0007","90","","91.208","0.002","90","","5835.7","0.2","173.1","0.14","173.1","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H22 Co F12 I8 N6 -","- C48 H22 Co F12 I8 N6 -","- C192 H88 Co4 F48 I32 N24 -","4","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0667","0.0535","","","0.1294","0.137","","","","","","1.107","","","","has coordinates,has disorder","249626","2020-10-21","18:00:00",""
"4003513","20.4236","0.0007","15.4026","0.0006","24.2096","0.0008","90","","90","","90","","7615.8","0.5","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[Co(terpy)2]","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.1049","0.0511","","","0.0891","0.1086","","","","","","1.06","","","","has coordinates","249627","2020-10-21","18:00:00",""
"4003514","20.3703","0.0003","15.2991","0.0002","24.2579","0.0003","90","","90","","90","","7559.91","0.18","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H22 Co F3 I5 N6 -","- C36 H22 Co F3 I5 N6 -","- C288 H176 Co8 F24 I40 N48 -","8","1","","Pfrunder, Michael C.; Whittaker, Jacob J.; Parsons, Simon; Moubaraki, Boujemaa; Murray, Keith S.; Moggach, Stephen A.; Sharma, Neeraj; Micallef, Aaron S.; Clegg, Jack K.; McMurtrie, John C.","Controlling Spin Switching with Anionic Supramolecular Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00375","","","0.71073","MoKα","","0.0349","0.0235","","","0.0462","0.0479","","","","","","1.045","","","","has coordinates","249628","2020-10-21","18:00:00",""
"4003515","10.833","0.002","3.8355","0.0007","4.3954","0.0009","90","","90","","90","","182.63","0.06","250.72","","250.72","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Ge Se -","- Ge Se -","- Ge4 Se4 -","4","0.5","","Murgatroyd, Philip A. E.; Smiles, Matthew J.; Savory, Christopher N.; Shalvey, Thomas P.; Swallow, Jack E. N.; Fleck, Nicole; Robertson, Craig M.; Jäckel, Frank; Alaria, Jonathan; Major, Jonathan D.; Scanlon, David O.; Veal, Tim D.","GeSe: Optical Spectroscopy and Theoretical Study of a van der Waals Solar Absorber","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00453","","","0.71073","MoKα","","0.0652","0.0578","","","0.193","0.2015","","","","","","1.224","","","","has coordinates","249629","2020-10-21","18:00:00",""
"4003516","16.151","0.008","11.854","0.005","6.795","0.004","90","","90","","90","","1300.9","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H2 Lu N O7 Se -","- H2 Lu N O7 Se -","- H16 Lu8 N8 O56 Se8 -","8","1","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0586","0.0485","","","0.1377","0.1438","","","","","","1.133","","","","has coordinates","249828","2020-10-21","18:00:00",""
"4003517","6.4728","0.0004","6.8453","0.0005","16.2422","0.0011","90","","90","","90","","719.66","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H10 Lu2 O16 Se4 -","- H10 Lu2 O16 Se4 -","- H20 Lu4 O32 Se8 -","2","0.5","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0416","0.0377","","","0.0954","0.097","","","","","","1.076","","","","has coordinates","249829","2020-10-21","18:00:00",""
"4003518","9.883","0.003","9.883","0.003","7.066","0.002","90","","90","","120","","597.7","0.3","273","2","273","2","","","","","","","","4","P 63","P 6c","173","","","","- F Lu3 O12 Se4 -","- F Lu3 O12 Se4 -","- F2 Lu6 O24 Se8 -","2","0.333333","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0245","0.0238","","","0.055","0.0554","","","","","","1.066","","","","has coordinates","249830","2020-10-21","18:00:00",""
"4003519","11.2329","0.0004","6.755","0.0002","24.0196","0.0009","90","","92.993","0.001","90","","1820.08","0.11","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 F6 N O2 P S -","- C17 H19 F6 N O2 P S -","- C68 H76 F24 N4 O8 P4 S4 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.048","0.0395","","","0.0938","0.0995","","","","","","1.057","","","","has coordinates","250003","2020-10-21","18:00:00",""
"4003520","7.0156","0.0005","12.6773","0.0008","19.2635","0.0009","90","","96.856","0.002","90","","1701.02","0.18","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl N O6 S -","- C17 H19 Cl N O6 S -","- C68 H76 Cl4 N4 O24 S4 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.036","0.0306","","","0.0738","0.0773","","","","","","1.075","","","","has coordinates","250004","2020-10-21","18:00:00",""
"4003521","10.2318","0.0003","6.8098","0.0002","24.3279","0.0009","90","","93.294","0.001","90","","1692.28","0.09","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 B F4 N O2 S -","- C17 H19 B F4 N O2 S -","- C68 H76 B4 F16 N4 O8 S4 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.0491","0.0353","","","0.0774","0.0845","","","","","","1.088","","","","has coordinates","250005","2020-10-21","18:00:00",""
"4003522","9.1677","0.0002","16.9681","0.0004","15.439","0.0003","90","","100.766","0.001","90","","2359.39","0.09","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O6 S3 -","- C19 H19 F6 N2 O6 S3 -","- C76 H76 F24 N8 O24 S12 -","4","1","","Kaur, Aman Preet; Harris, Oliver C.; Attanayake, N. Harsha; Liang, Zhiming; Parkin, Sean R.; Tang, Maureen H.; Odom, Susan A.","Quantifying Environmental Effects on the Solution and Solid-State Stability of a Phenothiazine Radical Cation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05345","","","0.71073","MoKα","","0.0355","0.0309","","","0.0778","0.0811","","","","","","1.04","","","","has coordinates","250006","2020-10-21","18:00:00",""
"4003523","9.9327","0.0005","9.829","0.0005","33.11","0.0018","90","","96.721","0.002","90","","3210.3","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C120 H168 N12 O36 -","6","3","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0376","0.0366","","","0.0915","0.0924","","","","","","1.037","","","","has coordinates,has disorder","257096","2020-10-21","18:00:00",""
"4003524","9.9333","0.0005","9.8326","0.0005","33.0974","0.0016","90","","96.739","0.002","90","","3210.3","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C120 H168 N12 O36 -","6","3","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0378","0.0367","","","0.0947","0.0957","","","","","","1.022","","","","has coordinates,has disorder","257096","2020-10-21","18:00:00",""
"4003525","9.8888","0.0004","15.5","0.0006","15.1398","0.0006","90","","104.637","0.001","90","","2245.26","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0529","0.0495","","","0.1421","0.1457","","","","","","1.04","","","","has coordinates","257096","2020-10-21","18:00:00",""
"4003526","16.0197","0.001","6.7614","0.0004","9.9344","0.0006","90","","104.48","0.002","90","","1041.87","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","0.5","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0469","0.0428","","","0.1156","0.119","","","","","","1.084","","","","has coordinates","257096","2020-10-21","18:00:00",""
"4003527","11.4483","0.0006","8.1332","0.0005","7.8077","0.0004","90","","90.239","0.004","90","","726.98","0.07","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- I5 K2 Na O14 -","- I5 K2 Na O14 -","- I10 K4 Na2 O28 -","2","1","","Abudouwufu, Tushagu; Zhang, Min; Cheng, Shichao; Zeng, Hao; Yang, Zhihua; Pan, Shilie","K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions","Chemistry of Materials","2020","32","8","3608","3614","10.1021/acs.chemmater.0c00878","","","0.71073","MoKα","","0.0421","0.0391","","","0.0862","0.0881","","","","","","1.029","","","","has coordinates","257098","2020-10-21","18:00:00",""
"4003528","25.92","0.02","25.92","0.02","6.857","0.006","90","","90","","120","","3990","6","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","Zn2(dobdc)(CO2)1.0","","","- C9 H2 O7.99 Zn2 -","- C9 H2 O8 Zn2 -","- C81 H18 O72 Zn18 -","9","0.5","","Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.","Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks","Chemistry of Materials","2020","32","8","3570","3576","10.1021/acs.chemmater.0c00745","","","0.7288","synchrotron","","0.1231","0.0752","","","0.1815","0.2071","","","","","","1.089","","","","has coordinates","257097","2020-10-21","18:00:00",""
"4003529","25.931","0.018","25.931","0.018","6.839","0.005","90","","90","","120","","3983","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Zn2(dobdc)(CO2)2.0","","","- C9.98 H2 O9.96 Zn2 -","- C9.986 H2 O9.966 Zn2 -","- C89.874 H18 O89.694 Zn18 -","9","0.5","","Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.","Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks","Chemistry of Materials","2020","32","8","3570","3576","10.1021/acs.chemmater.0c00745","","","0.7288","synchrotron","","0.0877","0.0646","","","0.1657","0.1813","","","","","","1.032","","","","has coordinates,has disorder","257097","2020-10-21","18:00:00",""
"4003530","7.137","0.002","7.605","0.002","10.036","0.002","87.757","0.004","77.802","0.004","80.176","0.003","524.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag Ga I4 O12 -","- Ag Ga I4 O12 -","- Ag2 Ga2 I8 O24 -","2","1","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0366","0.0358","","","0.1001","0.1007","","","","","","1.146","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003531","7.342","0.0015","15.218","0.003","14.997","0.003","90","","101.01","0.03","90","","1644.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag3 I12 In3 O36 -","- Ag3 I12 In3 O36 -","- Ag6 I24 In6 O72 -","2","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0543","0.0494","","","0.144","0.1462","","","","","","1.112","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003532","8.116","0.0016","10.426","0.002","11.11","0.002","75.09","0.03","89.91","0.03","76.2","0.03","880.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag3 I6 In O18 -","- Ag3 I6 In O18 -","- Ag6 I12 In2 O36 -","2","1","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0465","0.0457","","","0.1303","0.1312","","","","","","1.064","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003533","7.5396","0.0003","7.5656","0.0003","7.595","0.0003","99.546","0.001","96.843","0.001","96.51","0.001","420.25","0.03","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","1","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","","0.71073","MoKα","","0.0342","0.0292","","","0.0626","0.0687","","","","","","1.238","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003534","7.6379","0.0005","7.6553","0.0005","7.6882","0.0005","99.145","0.002","96.914","0.002","97.321","0.002","435.64","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","1","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","","0.71073","MoKα","","0.0396","0.0392","","","0.0976","0.0978","","","","","","1.266","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003535","5.7416","0.0004","11.4227","0.0002","11.4054","0.0003","90","","90","","90","","748.02","0.06","360.1","0.1","360.1","0.1","","","","","","","","5","P b 21 m","P -2 -2b","26","","","","- C H7 Cl3 N2 Pb -","- C H7 Cl3 N2 Pb -","- C4 H28 Cl12 N8 Pb4 -","4","1","","Ma̧czka, Mirosław; Gagor, Anna; Zarȩba, Jan K.; Stefanska, Dagmara; Drozd, Marek; Balciunas, Sergejus; Šimėnas, Mantas; Banys, Juras; Sieradzki, Adam","Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00973","","x-ray","0.71073","MoKα","","0.0329","0.031","","","0.0728","0.0748","","","","","","1.053","","","","has coordinates","251025","2020-10-21","18:00:00",""
"4003536","5.7266","0.0001","11.3396","0.0002","11.3926","0.0002","90","","92.332","0.002","90","","739.19","0.02","300","1","300","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C H7 Cl3 N2 Pb -","- C H7 Cl3 N2 Pb -","- C4 H28 Cl12 N8 Pb4 -","4","2","","Ma̧czka, Mirosław; Gagor, Anna; Zarȩba, Jan K.; Stefanska, Dagmara; Drozd, Marek; Balciunas, Sergejus; Šimėnas, Mantas; Banys, Juras; Sieradzki, Adam","Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00973","","x-ray","0.71073","MoKα","","0.0283","0.0272","","","0.0606","0.0615","","","","","","1.071","","","","has coordinates","251026","2020-10-21","18:00:00",""
"4003537","9.9645","0.0001","15.8391","0.0001","21.1899","0.0002","90","","94.026","0.001","90","","3336.12","0.05","104","1","104","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H50 N28 O Zn5 -","- C66 H50 N28 O Zn5 -","- C132 H100 N56 O2 Zn10 -","2","1","","Lyndon, Richelle; You, Wenqin; Ma, Yao; Bacsa, John; Gong, Yutao; Stangland, Eric E.; Walton, Krista S.; Sholl, David S.; Lively, Ryan P.","Tuning the Structures of Metal‒Organic Frameworks via a Mixed-Linker Strategy for Ethylene/Ethane Kinetic Separation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b04177","","x-ray","1.54184","CuKα","","0.0448","0.0407","","","0.0956","0.0981","","","","","","1.039","","","","has coordinates,has disorder","251274","2020-10-21","18:00:00",""
"4003538","3.9308","0.0008","3.9308","0.0008","7.0919","0.0014","90","","90","","90","","109.58","0.04","296","2","296","2","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- As Mn Pt5 -","- As Mn Pt5 -","- As Mn Pt5 -","1","0.0625","","Gui, Xin; Xie, Weiwei","Crystal Structure, Magnetism, and Electronic Properties of a Rare-Earth-Free Ferromagnet: MnPt5As","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00244","","","0.71073","MoKα","","0.0312","0.0273","","","0.0726","0.0752","","","","","","1.163","","","","has coordinates","251408","2020-10-21","18:00:00",""
"4003539","19.7678","0.0016","30.778","0.002","5.8368","0.0005","90","","90","","90","","3551.2","0.5","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H15 N O Te -","- C23 H15 N O Te -","- C184 H120 N8 O8 Te8 -","8","2","","Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui","Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00710","","","0.71073","MoKα","","0.0563","0.0392","","","0.0973","0.1043","","","","","","1.077","","","","has coordinates","251500","2020-10-21","18:00:00",""
"4003540","6.2684","0.0002","15.7449","0.0006","17.5392","0.0006","90","","94.1879","0.0011","90","","1726.42","0.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N O Se -","- C23 H15 N O Se -","- C92 H60 N4 O4 Se4 -","4","1","","Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui","Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00710","","","0.71073","MoKα","","0.0501","0.0388","","","0.1174","0.1267","","","","","","1.01","","","","has coordinates","251501","2020-10-21","18:00:00",""
"4003541","6.2132","0.0002","15.7432","0.0006","17.4235","0.0007","90","","94.8272","0.0012","90","","1698.25","0.11","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H13.5 N O S -","- C23 H15 N O S -","- C92 H60 N4 O4 S4 -","4","1","","Chen, Hao; Deng, Yihua; Zhu, Xiangyu; Wang, Lu; Lv, Lei; Wu, Xiaoxi; Li, Zijie; Shi, Qinqin; Peng, Aidong; Peng, Qian; Shuai, Zhigang; Zhao, Zujin; Chen, Huajie; Huang, Hui","Toward Achieving Single-Molecule White Electroluminescence from Dual Emission of Fluorescence and Phosphorescence","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00710","","","0.71073","MoKα","","0.0832","0.0561","","","0.1442","0.159","","","","","","1.039","","","","has coordinates","251502","2020-10-21","18:00:00",""
"4003542","17.575","0.008","16.067","0.007","9.31","0.004","90","","90","","90","","2629","2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H42 In N9 -","- C18 H36 In N8 -","- C72 H144 In4 N32 -","4","0.5","","O’Brien, Nathan J.; Rouf, Polla; Samii, Rouzbeh; Rönnby, Karl; Buttera, Sydney C.; Hsu, Chih-Wei; Ivanov, Ivan G.; Kessler, Vadim; Ojamäe, Lars; Pedersen, Henrik","In Situ Activation of an Indium(III) Triazenide Precursor for Epitaxial Growth of Indium Nitride by Atomic Layer Deposition","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b05171","","","0.71073","MoKα","","0.1061","0.0945","","","0.2309","0.2368","","","","","","0.986","","","","has coordinates","252176","2020-10-21","18:00:00",""
"4003543","23.515","0.003","23.515","0.003","11.052","0.002","90","","90","","120","","5292.5","1.4","296","2","296","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C32 H26 Cu2 N2 O10 -","- C32 H26 Cu2 N2 O10 -","- C96 H78 Cu6 N6 O30 -","3","0.25","","Krause, Simon; Reuter, Florian S.; Ehrling, Sebastian; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Brunner, Eike","Impact of Defects and Crystal Size on Negative Gas Adsorption in DUT-49 Analyzed by In Situ 129Xe NMR Spectroscopy","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01059","","","0.88561","synchrotron","","0.112","0.1039","","","0.3214","0.3435","","","","","","1.273","","","","has coordinates","252213","2020-10-21","18:00:00",""
"4003544","12.952","0.0007","14.343","0.0007","14.3389","0.0007","90","","94.966","0.002","90","","2653.7","0.2","100","2","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 F4 I10 N4 Sb2 -","- C32 H44 F4 I10 N4 Sb2 -","- C64 H88 F8 I20 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0189","0.0172","","","0.0381","0.0385","","","","","","1.199","","","","has coordinates,has disorder","252244","2020-10-21","18:00:00",""
"4003545","12.3557","0.0005","13.4134","0.0006","14.4815","0.0006","90","","95.5638","0.0013","90","","2388.74","0.17","100","2","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Br10 F4 N4 Sb2 -","- C32 H44 Br10 F4 N4 Sb2 -","- C64 H88 Br20 F8 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0247","0.02","","","0.0372","0.0383","","","","","","0.972","","","","has coordinates","252245","2020-10-21","18:00:00",""
"4003546","12.2017","0.0006","14.1185","0.0007","14.0742","0.0007","90","","95.2271","0.0017","90","","2414.5","0.2","100","2","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 Br10 F4 N4 -","- C32 H44 Bi2 Br10 F4 N4 -","- C64 H88 Bi4 Br20 F8 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0541","0.0444","","","0.1277","0.136","","","","","","1.043","","","","has coordinates,has disorder","252246","2020-10-21","18:00:00",""
"4003547","11.7357","0.0005","13.9008","0.0006","13.9806","0.0006","90","","95.5476","0.0014","90","","2270.05","0.17","100","","99.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 Cl10 F4 N4 -","- C32 H44 Bi2 Cl10 F4 N4 -","- C64 H88 Bi4 Cl20 F8 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0341","0.0272","","","0.061","0.0643","","","","","","1.108","","","","has coordinates,has disorder","252247","2020-10-21","18:00:00",""
"4003548","11.8394","0.0007","12.8214","0.0007","14.8843","0.0009","90","","95.0706","0.0019","90","","2250.6","0.2","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Cl10 F4 N4 Sb2 -","- C32 H44 Cl10 F4 N4 Sb2 -","- C64 H88 Cl20 F8 N8 Sb4 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0234","0.0195","","","0.0365","0.0374","","","","","","1.046","","","","has coordinates","252248","2020-10-21","18:00:00",""
"4003549","12.9207","0.0005","14.6156","0.0005","14.2779","0.0005","90","","94.3351","0.0014","90","","2688.58","0.17","100","2","100.02","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H44 Bi2 F4 I10 N4 -","- C32 H44 Bi2 F4 I10 N4 -","- C64 H88 Bi4 F8 I20 N8 -","2","1","","Dehnhardt, Natalie; Axt, Marleen; Zimmermann, Jonas; Yang, Meng; Mette, Gerson; Heine, Johanna","Band Gap-Tunable, Chiral Hybrid Metal Halides Displaying Second-Harmonic Generation","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01605","","","0.71073","MoKα","","0.0396","0.0268","","","0.0402","0.0429","","","","","","0.953","","","","has coordinates","252249","2020-10-21","18:00:00",""
"4003550","17.348","0.0004","17.348","0.0004","22.6258","0.0006","90","","90","","120","","5897","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H24 Br4 N2 Pb -","- C24 H24 Br4 N2 Pb -","- C216 H216 Br36 N18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0924","0.0452","","","0.0553","0.0666","","","","","","1.013","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003551","17.1827","0.0007","17.1827","0.0007","21.6452","0.0012","90","","90","","120","","5534.5","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H24 Cl4 N2 Pb -","- C24 H24 Cl4 N2 Pb -","- C216 H216 Cl36 N18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0694","0.0445","","","0.0731","0.0839","","","","","","1.039","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003552","15.4933","0.0003","15.4933","0.0003","24.3672","0.0004","90","","90","","120","","5065.52","0.16","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H18 Br4 N4 O2 Pb -","- C14 H18 Br4 N4 O2 Pb -","- C126 H162 Br36 N36 O18 Pb9 -","9","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0532","0.039","","","0.0998","0.107","","","","","","1.039","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003553","11.1106","0.0005","15.942","0.0009","19.7704","0.001","103.424","0.002","91.033","0.002","93.167","0.002","3399.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H54 Br12 N12 O2 Pb3 S2 -","- C46 H54 Br12 N12 O2 Pb3 S2 -","- C92 H108 Br24 N24 O4 Pb6 S4 -","2","1","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.145","0.0626","","","0.1009","0.1327","","","","","","1.023","","","","has coordinates,has disorder","252250","2020-10-21","18:00:00",""
"4003554","11.7951","0.0011","7.8822","0.0007","11.8001","0.0011","90","","101.304","0.002","90","","1075.79","0.17","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 I3 N Pb -","- C12 H12 I3 N Pb -","- C24 H24 I6 N2 Pb2 -","2","0.5","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.1407","0.0554","","","0.1416","0.1769","","","","","","1.028","","","","has coordinates,has disorder","252250","2020-10-21","18:00:00",""
"4003555","7.887","0.0003","10.0639","0.0003","15.1133","0.0005","90","","90","","90","","1199.6","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 Br3 N Pb -","- C7 H10 Br3 N Pb -","- C28 H40 Br12 N4 Pb4 -","4","1","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0498","0.0361","","","0.0678","0.0727","","","","","","0.991","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003556","10.9668","0.0005","11.963","0.0005","12.1132","0.0006","114.818","0.002","91.946","0.002","96.673","0.002","1426.61","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Br5 N2 Pb1.5 -","- C20 H32 Br5 N2 Pb1.5 -","- C40 H64 Br10 N4 Pb3 -","2","1","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0857","0.0462","","","0.0612","0.0727","","","","","","1.008","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003557","7.7918","0.0007","11.1156","0.0009","14.7794","0.0012","90.295","0.002","98.934","0.002","100.308","0.002","1243.4","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H7 Br3 N O Pb -","- C7 H10 Br3 N O Pb -","- C28 H40 Br12 N4 O4 Pb4 -","4","2","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.1173","0.0579","","","0.1004","0.123","","","","","","1.036","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003558","11.5583","0.0006","11.6234","0.0005","17.3131","0.0007","80.299","0.004","74.26","0.004","89.849","0.004","2204.45","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Br8 N4 Sn2 -","- C32 H48 Br8 N4 Sn2 -","- C64 H96 Br16 N8 Sn4 -","2","1","","Xu, Liang-Jin; Lin, Haoran; Lee, Sujin; Zhou, Chenkun; Worku, Michael; Chaaban, Maya; He, Qingquan; Plaviak, Anna; Lin, Xinsong; Chen, Banghao; Du, Mao-Hua; Ma, Biwu","0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01254","","","0.71073","MoKα","","0.0479","0.0393","","","0.1038","0.1099","","","","","","0.946","","","","has coordinates","252251","2020-10-21","18:00:00",""
"4003559","17.055","0.0006","10.0193","0.0003","37.8344","0.0014","90","","101.131","0.004","90","","6343.5","0.4","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H76 Br8 Cl4 N6 Sn -","- C50 H76 Br8 Cl4 N6 Sn -","- C200 H304 Br32 Cl16 N24 Sn4 -","4","1","","Xu, Liang-Jin; Lin, Haoran; Lee, Sujin; Zhou, Chenkun; Worku, Michael; Chaaban, Maya; He, Qingquan; Plaviak, Anna; Lin, Xinsong; Chen, Banghao; Du, Mao-Hua; Ma, Biwu","0D and 2D: The Cases of Phenylethylammonium Tin Bromide Hybrids","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01254","","x-ray","0.71073","MoKα","","0.0335","0.0285","","","0.0569","0.058","","","","","","1.049","","","","has coordinates,has disorder","252252","2020-10-21","18:00:00",""
"4003560","5.0991","0.0002","5.3298","0.0002","8.8729","0.0003","90","","90","","90","","241.14","0.015","323","","323","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0234","0.0194","","","0.0507","0.0537","","","","","","1.055","","","","has coordinates","252282","2020-10-21","18:00:00",""
"4003561","5.117","0.0003","5.3335","0.0003","8.8794","0.0006","90","","90","","90","","242.33","0.03","500","","500.01","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0317","0.026","","","0.0659","0.0735","","","","","","0.968","","","","has coordinates","252283","2020-10-21","18:00:00",""
"4003562","5.0902","0.0004","5.3328","0.0004","8.8813","0.0006","90","","90","","90","","241.08","0.03","100","2","99.96","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- In2 Li O6 Sb -","- In2 Li O6 Sb -","- In4 Li2 O12 Sb2 -","2","0.25","","Flynn, Steven; Sanghvi, Sheel; Nisbet, Matthew L.; Griffith, Kent J.; Zhang, Weiguo; Halasyamani, P. Shiv; Haile, Sossina M.; Poeppelmeier, Kenneth R.","LiIn2SbO6: A New Rutile-Related Structure Type with Unique Ion Channels","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01491","","","0.71073","MoKα","","0.0241","0.0206","","","0.0547","0.0567","","","","","","1.134","","","","has coordinates","252284","2020-10-21","18:00:00",""
"4003563","6.7349","0.0013","7.8881","0.0016","7.8913","0.0016","106.69","0.03","100.39","0.03","100.56","0.03","382.49","0.17","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H9 N5 O -","- C19 H2 N5 O -","- C19 H2 N5 O -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0721","0.0615","","","0.1748","0.1898","","","","","","1.021","","","","has coordinates,has disorder","252540","2020-10-21","18:00:00",""
"4003564","7.2068","0.0014","7.9426","0.0016","30.646","0.006","90","","91.47","0.03","90","","1753.6","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19.2 H9.6 N3.2 -","- C19.2 H9.6 N3.2 -","- C96 H48 N16 -","5","1.25","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.1005","0.0554","","","0.1115","0.1297","","","","","","1.06","","","","has coordinates","252541","2020-10-21","18:00:00",""
"4003565","13.534","0.004","15.352","0.004","7.4821","0.0015","90","","92.14","0.03","90","","1553.5","0.7","113","2","113","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","0.5","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.1363","0.0856","","","0.2115","0.2443","","","","","","1.057","","","","has coordinates","252542","2020-10-21","18:00:00",""
"4003566","7.1834","0.0014","7.7893","0.0016","7.9495","0.0016","73.81","0.03","83.7","0.03","88.39","0.03","424.58","0.16","113","2","113","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H12 N4 -","- C23 H12 N4 -","- C23 H12 N4 -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0671","0.0435","","","0.0969","0.1045","","","","","","1.032","","","","has coordinates,has disorder","252543","2020-10-21","18:00:00",""
"4003567","24.936","0.005","7.2372","0.0014","9.2971","0.0019","90","","90","","90","","1677.8","0.6","113","2","113","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H11 N5 -","- C22 H11 N5 -","- C88 H44 N20 -","4","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0837","0.0798","","","0.201","0.2045","","","","","","0.997","","","","has coordinates","252544","2020-10-21","18:00:00",""
"4003568","7.158","0.0014","7.8056","0.0016","7.9356","0.0016","72.93","0.03","85.74","0.03","88.93","0.03","422.68","0.16","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H10 N4 S -","- C22 H10 N4 S -","- C22 H10 N4 S -","1","1","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0782","0.0702","","","0.2147","0.2212","","","","","","1.062","","","","has coordinates,has disorder","252545","2020-10-21","18:00:00",""
"4003569","7.2441","0.0014","8.425","0.0017","15.533","0.003","90","","93.74","0.03","90","","946","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 -","- C26 H12 N4 -","- C52 H24 N8 -","2","0.5","","Liu, Kun; Lei, Yilong; Fu, Hongbing","A General Synthetic Strategy to a Library of Luminescent All-Organic Core‒Shell Microstructures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01184","","","0.71073","MoKα","","0.0962","0.0656","","","0.1855","0.2091","","","","","","1.069","","","","has coordinates","252546","2020-10-21","18:00:00",""
"4003570","6.5695","0.0002","7.7923","0.0003","15.4694","0.0007","97.485","0.003","94.638","0.003","104.739","0.003","753.93","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","S-DNTT-8","","","- C38 H46 S2 -","- C38 H44 S2 -","- C38 H44 S2 -","1","0.5","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","","0.71073","MoKα","","0.0428","0.0351","","","0.0973","0.1017","","","","","","1.044","","","","has coordinates","253010","2020-10-21","18:00:00",""
"4003571","4.8135","0.0002","7.9484","0.0003","14.8781","0.0006","96.494","0.003","90.898","0.004","101.587","0.004","553.62","0.04","123","","123","","","","","","","","","3","P -1","-P 1","2","S-DNTT-4","","","- C15 H14 S -","- C15 H14 S -","- C30 H28 S2 -","2","1","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","x-ray","0.71073","MoKα","","0.0377","0.0313","","","0.0805","0.0838","","","","","","1.038","","","","has coordinates","253011","2020-10-21","18:00:00",""
"4003572","7.2092","0.0004","8.5332","0.0008","11.1656","0.0014","82.946","0.009","77.081","0.008","80.005","0.006","656.8","0.11","123","2","123","2","","","","","","","","3","P -1","-P 1","2","S-DNTT-6","","","- C34 H36 S2 -","- C34 H36 S2 -","- C34 H36 S2 -","1","0.5","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","","0.71073","MoKα","","0.0703","0.0613","","","0.1551","0.1613","","","","","","1.088","","","","has coordinates","253012","2020-10-21","18:00:00",""
"4003573","7.7947","0.0003","10.8375","0.0007","11.0524","0.0005","78.016","0.005","70.544","0.004","82.611","0.004","859.36","0.08","173","","173","","","","","","","","","3","P -1","-P 1","2","S-DNTT-10","","","- C42 H52 S2 -","- C42 H52 S2 -","- C42 H52 S2 -","1","0.5","","Yamaguchi, Yuji; Kojiguchi, Yuka; Kawata, So; Mori, Tatsuya; Okamoto, Kazuo; Tsutsui, Masanori; Koganezawa, Tomoyuki; Katagiri, Hiroshi; Yasuda, Takuma","Solution-Processable Organic Semiconductors Featuring S-Shaped Dinaphthothienothiophene (S-DNTT): Effects of Alkyl Chain Length on Self-Organization and Carrier Transport Properties","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01740","","","0.71073","MoKα","","0.0799","0.0561","","","0.1229","0.1351","","","","","","1.065","","","","has coordinates","253013","2020-10-21","18:00:00",""
"4003574","5.54535","0.00004","5.21029","0.00003","7.67491","0.00006","90","","94.6924","0.0006","90","","221.007","0.003","300","","300","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- Cu Nb O3 -","- Cu Nb O3 -","- Cu4 Nb4 O12 -","4","2","","Fukuda, Masayuki; Yamada, Ikuya; Murata, Hidenobu; Hojo, Hajime; Hernandez, Olivier J.; Ritter, Clemens; Tanaka, Katsuhisa; Fujita, Koji","Perovskite-Type CuNbO3 Exhibiting Unusual Noncollinear Ferrielectric to Collinear Ferroelectric Dipole Order Transition","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00444","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.6644","1.27185","","","","","","","has coordinates","253014","2020-10-21","18:00:00",""
"4003576","20.1068","0.0004","15.3349","0.0003","8.93802","0.00016","90","","90","","90","","2755.91","0.09","171","","171","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H16 N2 O S2 -","- C13 H16 N2 O S2 -","- C104 H128 N16 O8 S16 -","8","1","","Zheng, Yu; Ashizawa, Minoru; Zhang, Song; Kang, Jiheong; Nikzad, Shayla; Yu, Zhiao; Ochiai, Yuto; Wu, Hung-Chin; Tran, Helen; Mun, Jaewan; Zheng, Yu-Qing; Tok, Jeffrey B.-H.; Gu, Xiaodan; Bao, Zhenan","Tuning the Mechanical Properties of a Polymer Semiconductor by Modulating Hydrogen Bonding Interactions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01437","","","1.54187","CuKα","","0.0883","0.0798","","","0.2435","0.2585","","","","","","1.104","","","","has coordinates,has disorder","253177","2020-10-21","18:00:00",""
"4003577","10.3","0.02","10.29","0.02","13.73","0.03","90","","101.16","0.02","90","","1428","5","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Fe0.13 Ga0.87 Na S2 -","- Fe0.135 Ga0.865 Na S2 -","- Fe2.16 Ga13.84 Na16 S32 -","16","2","","Adhikary, Amit; Yaghoobnejad Asl, Hooman; Sandineni, Prashanth; Balijapelly, Srikanth; Mohapatra, Sudip; Khatua, Sajal; Konar, Sanjit; Gerasimchuk, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Unusual Atmospheric Water Trapping and Water Induced Reversible Restacking of 2D Gallium Sulfide Layers in NaGaS2 Formed by Supertetrahedral Building Unit","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00836","","","0.71073","MoKα","","0.0659","0.0541","","","0.1323","0.1382","","","","","","1.174","","","","has coordinates","253178","2020-10-21","18:00:00",""
"4003578","10.226","0.003","10.227","0.003","13.506","0.005","90","","100.926","0.004","90","","1386.9","0.8","240","2","240","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga Na S2 -","- Ga Na S2 -","- Ga16 Na16 S32 -","16","2","","Adhikary, Amit; Yaghoobnejad Asl, Hooman; Sandineni, Prashanth; Balijapelly, Srikanth; Mohapatra, Sudip; Khatua, Sajal; Konar, Sanjit; Gerasimchuk, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Unusual Atmospheric Water Trapping and Water Induced Reversible Restacking of 2D Gallium Sulfide Layers in NaGaS2 Formed by Supertetrahedral Building Unit","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00836","","","0.71073","MoKα","","0.0456","0.0379","","","0.0993","0.1049","","","","","","1.13","","","","has coordinates","253179","2020-10-21","18:00:00",""
"4003579","9.9588","0.0003","9.777","0.0003","14.1456","0.0004","90","","90","","90","","1377.32","0.07","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","catena-(bis(m2-1,2,4-triazolato)-zinc)","","","- C4 H4 N6 Zn -","- C4 H4 N6 Zn -","- C32 H32 N48 Zn8 -","8","1","","Darby, James P.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Marrett, Joseph M.; Friščić, Tomislav; Morris, Andrew J.","Ab Initio Prediction of Metal-Organic Framework Structures","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01737","powder diffraction","","1.5418","CuKα","","","","","","","","","0.032","2.807","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"4003580","5.33793","0.00003","5.48741","0.00003","7.75779","0.00005","90","","90.2455","0.0004","90","","227.235","0.002","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Dy Na Ni O6 W -","- Dy Na Ni O6 W -","- Dy2 Na2 Ni2 O12 W2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","3.2164","6.7903","","","","","","","has coordinates","253213","2020-10-21","18:00:00",""
"4003581","5.32705","0.00003","5.49121","0.00004","7.7552","0.00005","90","","90.2233","0.0004","90","","226.853","0.003","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ho Na Ni O6 W -","- Ho Na Ni O6 W -","- Ho2 Na2 Ni2 O12 W2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","CuKα","","","","","","","","","3.1562","7.2671","","","","","","","has coordinates","253214","2020-10-21","18:00:00",""
"4003582","5.322633","0.000019","5.48943","0.00002","7.74998","0.00002","90","","90.2387","0.0002","90","","226.439","0.0013","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 W Y -","- Na Ni O6 W Y -","- Na2 Ni2 O12 W2 Y2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.8782","4.2211","","","","","","","has coordinates","253215","2020-10-21","18:00:00",""
"4003583","5.2834","0.00005","5.47922","0.00005","7.72843","0.00008","90","","90.2088","0.0007","90","","223.728","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 W Yb -","- Na Ni O6 W Yb -","- Na2 Ni2 O12 W2 Yb2 -","2","1","","Shankar P N, Ravi; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halasyamani, P. Shiv; Sundaresan, Athinarayanan","A-Site and B-Site Cation Ordering Induces Polar and Multiferroic Behavior in the Perovskite NaLnNiWO6 (Ln = Y, Dy, Ho, and Yb)","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01149","powder diffraction","","1.5406","'CuKα'","","","","","","","","","3.5593","6.3319","","","","","","","has coordinates","253216","2020-10-21","18:00:00",""
"4003584","3.92456","0.00004","15.06245","0.00016","5.63484","0.00006","90","","90","","90","","333.095","0.006","1173","","1173","","","","","","","","","3","C m c m","-C 2c 2","63","","Bismuth Tantalate","","- Bi O4 Ta -","- Bi O4 Ta -","- Bi4 O16 Ta4 -","4","0.25","","Zhuk, Nadezhda A.; Krzhizhanovskaya, Maria G.; Belyy, Vladimir A.; Kharton, Vladislav V.; Chichineva, Alena I.","Phase Transformations and Thermal Expansion of α- and β-BiTaO4 and the High-Temperature Modification γ-BiTaO4","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00010","powder diffraction","","1.79021","CoKα","","","","","","","","","3.65","2.33","","","","","","","has coordinates","253253","2020-10-21","18:00:00",""
"4003585","16.5155","0.0008","8.6521","0.0005","8.7642","0.0004","90","","99.0461","0.0019","90","","1236.77","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 I4 N2 Pb -","- C14 H32 I4 N2 Pb -","- C28 H64 I8 N4 Pb2 -","2","0.5","","Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Robot-Accelerated Perovskite Investigation and Discovery","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01153","","","0.71073","MoKα","","0.035","0.035","","0.0935","0.0935","0.0935","","","","","","0.9978","","","","has coordinates","253254","2020-10-21","18:00:00",""
"4003586","15.2648","0.0006","15.2648","0.0006","8.1332","0.0003","90","","90","","120","","1641.25","0.11","150","2","150","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- C6 H21 I9 N6 Pb3 -","- C6 H21 I9 N6 Pb3 -","- C12 H42 I18 N12 Pb6 -","2","0.333333","","Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Cruz Parrilla, Peter; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Robot-Accelerated Perovskite Investigation and Discovery","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01153","","","0.71073","MoKα","","0.0483","0.0365","","","0.0654","0.0696","","","","","","1.075","","","","has coordinates","253255","2020-10-21","18:00:00",""
"4003587","7.024","0.002","7.064","0.002","13.1","0.004","84.259","0.004","84.715","0.003","63.544","0.003","578.2","0.3","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- I4 O12 Sr2 -","- I4 O12 Sr2 -","- I8 O24 Sr4 -","2","1","","Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie","New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01452","","","0.71073","MoKα","","0.0359","0.0328","","","0.0902","0.0931","","","","","","1.048","","","","has coordinates","253373","2020-10-21","18:00:00",""
"4003588","10.747","0.004","7.161","0.003","9.086","0.003","90","","93.748","0.004","90","","697.8","0.5","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ba(IO2F2)2","","- Ba F4 I2 O4 -","- Ba F4 I2 O4 -","- Ba4 F16 I8 O16 -","4","1","","Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie","New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01452","","","0.71073","MoKα","","0.0335","0.028","","","0.059","0.0611","","","","","","1.085","","","","has coordinates","253374","2020-10-21","18:00:00",""
"4003589","10.462","0.003","7.2724","0.0019","8.306","0.002","90","","109.699","0.003","90","","595","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SrI2O5F2","","- F2 I2 O5 Sr -","- F2 I2 O5 Sr -","- F8 I8 O20 Sr4 -","4","1","","Gai, Minqiang; Tong, Tinghao; Wang, Ying; Yang, Zhihua; Pan, Shilie","New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO3F)2‒ Units","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01452","","","0.71073","MoKα","","0.035","0.0266","","","0.0534","0.0566","","","","","","1.025","","","","has coordinates","253375","2020-10-21","18:00:00",""
"4003590","6.8439","0.0008","31.466","0.004","7.0224","0.0008","90","","109.878","0.002","90","","1422.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","- C76 H36 F16 O8 -","2","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0453","0.0384","","","0.086","0.0896","","","","","","1.085","","","","has coordinates","253401","2020-10-21","18:00:00",""
"4003591","13.198","0.0013","9.1099","0.0009","15.1637","0.0014","90","","107.904","0.002","90","","1734.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C84 H56 F16 N4 O8 -","2","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0891","0.0708","","","0.1949","0.218","","","","","","1.053","","","","has coordinates","253402","2020-10-21","18:00:00",""
"4003592","40.925","0.004","40.925","0.004","4.6169","0.0006","90","","90","","120","","6696.7","1.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","- C342 H162 F72 O36 -","9","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0574","0.0467","","","0.1553","0.164","","","","","","1.123","","","","has coordinates","253403","2020-10-21","18:00:00",""
"4003593","4.4959","0.0003","13.0881","0.0009","15.9017","0.0011","66.725","0.001","82.591","0.002","82.531","0.001","849.16","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0614","0.0438","","","0.1129","0.1234","","","","","","1.034","","","","has coordinates","253404","2020-10-21","18:00:00",""
"4003594","7.5445","0.001","16.744","0.002","16.82","0.002","60.589","0.002","77.321","0.003","81.33","0.002","1803.5","0.4","278","2","278","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C84 H56 F16 N4 O8 -","2","1","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0842","0.0716","","","0.2041","0.2265","","","","","","1.019","","","","has coordinates,has disorder","253405","2020-10-21","18:00:00",""
"4003595","6.885","0.0007","7.0203","0.0007","17.463","0.0018","90.762","0.002","90.77","0.002","109.465","0.002","795.61","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H20 F8 O6 -","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.1577","0.1257","","","0.3429","0.3659","","","","","","1.096","","","","has coordinates","253406","2020-10-21","18:00:00",""
"4003596","7.6603","0.0004","9.2589","0.0005","11.7819","0.0007","94.291","0.001","100.484","0.001","94.65","0.001","815.56","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0498","0.0415","","","0.1122","0.1192","","","","","","1.027","","","","has coordinates","253407","2020-10-21","18:00:00",""
"4003597","7.6598","0.0007","9.193","0.0009","12.4157","0.0012","89.665","0.002","81.654","0.002","84.678","0.002","861.26","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","- C42 H28 F8 N2 O4 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0418","0.0358","","","0.0937","0.0986","","","","","","1.042","","","","has coordinates","253408","2020-10-21","18:00:00",""
"4003598","48.0806","0.001","4.7831","0.0001","28.6935","0.0006","90","","101.471","0.001","90","","6467","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H22 F8 O6 -","- C40 H22 F8 O6 -","- C320 H176 F64 O48 -","8","1","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","1.54184","CuKα","","0.0431","0.0353","","","0.0908","0.0981","","","","","","1.038","","","","has coordinates","253409","2020-10-21","18:00:00",""
"4003599","7.7154","0.0007","9.1759","0.0008","11.2358","0.001","101.159","0.002","96.904","0.002","95.288","0.002","769.29","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","- C38 H18 F8 O4 -","1","0.5","","Sharber, Seth A.; Thomas, Samuel W.","Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01676","","","0.71073","MoKα","","0.0572","0.0459","","","0.1287","0.1377","","","","","","1.071","","","","has coordinates","253410","2020-10-21","18:00:00",""
"4003600","36.587","0.004","36.587","0.004","36.587","0.004","90","","90","","90","","48976","9","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C120 H120 Cl4 O40 Zr12 -","- C120 H120 Cl4.0002 O40 Zr12 -","- C960 H960 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0742","0.058","","","0.1641","0.1857","","","","","","1.15","","","","has coordinates,has disorder","253518","2020-10-21","18:00:00",""
"4003601","37.16","0.005","22.815","0.004","10.7854","0.0009","90","","93.092","0.012","90","","9131","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H96 Cl2 N6 O26 Zr6 -","- C84 H96 Cl2 N6 O26 Zr6 -","- C336 H384 Cl8 N24 O104 Zr24 -","4","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0417","0.0399","","","0.1068","0.1089","","","","","","1.049","","","","has coordinates,has disorder","253519","2020-10-21","18:00:00",""
"4003602","22.921","0.003","16.858","0.002","31.905","0.004","90","","102.424","0.005","90","","12039","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H112 Cl2 N4 O24 Zr6 -","- C108 H112 Cl2 N4 O24 Zr6 -","- C432 H448 Cl8 N16 O96 Zr24 -","4","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0995","0.0532","","","0.1234","0.1481","","","","","","1.011","","","","has coordinates,has disorder","253520","2020-10-21","18:00:00",""
"4003603","10.6473","0.0003","19.677","0.0005","48.7602","0.0012","90","","94.934","0.001","90","","10177.7","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H86 Cl2 N2 O22 Zr6 -","- C96 H86 Cl2 N2 O22 Zr6 -","- C384 H344 Cl8 N8 O88 Zr24 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1419","0.1204","","","0.2506","0.2615","","","","","","1.11","","","","has coordinates,has disorder","253521","2020-10-21","18:00:00",""
"4003604","39.7702","0.0012","22.4499","0.0007","10.8784","0.0003","90","","90.483","0.002","90","","9712.3","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H68 Cl2 N2 O22 S3 Zr6 -","- C66 H68 Cl2 N2 O22 S3 Zr6 -","- C264 H272 Cl8 N8 O88 S12 Zr24 -","4","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0637","0.0545","","","0.1418","0.1507","","","","","","1.007","","","","has coordinates,has disorder","253522","2020-10-21","18:00:00",""
"4003605","12.8761","0.0004","16.5123","0.0005","18.537","0.0006","102.277","0.002","104.442","0.002","97.331","0.002","3660.8","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H52 F6 O27 S2 Zr6 -","- C57 H52 F6 O27 S2 Zr6 -","- C114 H104 F12 O54 S4 Zr12 -","2","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0813","0.0584","","","0.1395","0.1627","","","","","","1.102","","","","has coordinates","253523","2020-10-21","18:00:00",""
"4003606","36.739","0.002","36.739","0.002","73.888","0.005","90","","90","","90","","99731","10","150","2","150","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C132 H108 Cl6 O40 Zr12 -","- C132 H108 Cl6 O40 Zr12 -","- C2112 H1728 Cl96 O640 Zr192 -","16","0.5","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1265","0.1039","","","0.284","0.3133","","","","","","1.024","","","","has coordinates,has disorder","253524","2020-10-21","18:00:00",""
"4003607","18.8649","0.0006","28.885","0.0008","23.944","0.0008","90","","105.667","0.002","90","","12562.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H92 F6 O28 S2 Zr6 -","- C100 H92 F6 O28 S2 Zr6 -","- C400 H368 F24 O112 S8 Zr24 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0754","0.0577","","","0.1565","0.1768","","","","","","1.052","","","","has coordinates","253525","2020-10-21","18:00:00",""
"4003608","35.291","0.003","17.2056","0.0014","35.416","0.002","90","","117.236","0.004","90","","19120","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H120 F12 O52 S4 Zr12 -","- C124 H120 F12 O52 S4 Zr12 -","- C496 H480 F48 O208 S16 Zr48 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1079","0.0898","","","0.2168","0.2295","","","","","","0.977","","","","has coordinates,has disorder","253526","2020-10-21","18:00:00",""
"4003609","16.4279","0.0009","16.4279","0.0009","21.9721","0.0019","90","","90","","120","","5135.3","0.6","150","2","150","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C66 H57 Cl2 F3 O20 Zr6 -","- C66 H57 Cl2.0001 F3 O20 Zr6 -","- C132 H114 Cl4.0002 F6 O40 Zr12 -","2","0.166667","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0898","0.0885","","","0.2477","0.2514","","","","","","1.277","","","","has coordinates,has disorder","253527","2020-10-21","18:00:00",""
"4003610","28.0148","0.0007","28.0148","0.0007","39.6287","0.001","90","","90","","90","","31101.8","1.4","150","2","150","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C132 H108 Cl4 O40 Zr12 -","- C131 H108 Cl4 O40 Zr12 -","- C524 H432 Cl16 O160 Zr48 -","4","0.125","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1463","0.1212","","","0.3957","0.4501","","","","","","2.061","","","","has coordinates,has disorder","253528","2020-10-21","18:00:00",""
"4003611","15.0641","0.0004","23.6781","0.0006","21.9714","0.0005","90","","96.323","0.001","90","","7789.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 O20 Zr6 -","- C42 H42 Cl2 O20 Zr6 -","- C168 H168 Cl8 O80 Zr24 -","4","1","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1756","0.157","","","0.4714","0.5024","","","","","","2.359","","","","has coordinates,has disorder","253529","2020-10-21","18:00:00",""
"4003612","48.54","0.003","48.54","0.003","48.54","0.003","90","","90","","90","","114367","12","150","2","150","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C192 H168 Cl4 O40 Zr12 -","- C192 H168 Cl4.0002 O40 Zr12 -","- C1536 H1344 Cl32.0016 O320 Zr96 -","8","0.0416667","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.1832","0.1283","","","0.3596","0.422","","","","","","1.449","","","","has coordinates,has disorder","253530","2020-10-21","18:00:00",""
"4003613","11.9388","0.0005","4.1112","0.0002","12.5095","0.0005","90","","90","","90","","614","0.05","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl3 Cu K2 -","- Cl3 Cu K2 -","- Cl12 Cu4 K8 -","4","0.5","","Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad","K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02098","","","0.71073","MoKα","","0.0264","0.0215","","","0.047","0.0498","","","","","","1.006","","","","has coordinates","254121","2020-10-21","18:00:00",""
"4003614","12.5112","0.001","4.2939","0.0003","13.1645","0.001","90","","90","","90","","707.22","0.09","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br3 Cu K2 -","- Br3 Cu K2 -","- Br12 Cu4 K8 -","4","0.5","","Creason, Tielyr D.; McWhorter, Timothy M.; Bell, Zane; Du, Mao-Hua; Saparov, Bayrammurad","K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02098","","","0.71073","MoKα","","0.0464","0.0316","","","0.0658","0.0731","","","","","","1.009","","","","has coordinates","254122","2020-10-21","18:00:00",""
"4003615","11.694","0.0002","10.3459","0.0002","20.8452","0.0004","90","","90.626","0.002","90","","2521.81","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 Cl Cu N -","- C28 H41 Cl Cu N -","- C112 H164 Cl4 Cu4 N4 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0622","0.0457","","","0.1116","0.1191","","","","","","1.022","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003616","18.4735","0.0004","10.151","0.0002","19.3448","0.0004","90","","90","","90","","3627.62","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H51 Cl2 Cu N2 -","- C41 H51 Cl2 Cu N2 -","- C164 H204 Cl8 Cu4 N8 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.073","0.0541","","","0.129","0.1368","","","","","","1.031","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003617","10.0759","0.0002","11.7337","0.0002","21.2836","0.0003","90","","90.14","0.001","90","","2516.3","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Ag Cl N -","- C28 H41 Ag Cl N -","- C112 H164 Ag4 Cl4 N4 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0304","0.0269","","","0.0679","0.0694","","","","","","1.054","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003618","10.5956","0.0006","16.5409","0.0006","12.0346","0.0011","90","","110.128","0.008","90","","1980.4","0.2","140","0.5","140","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H53 Au Cl4 N2 -","- C42 H53 Au Cl4 N2 -","- C84 H106 Au2 Cl8 N4 -","2","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","","0.71073","MoKα","","0.036","0.0315","","","0.0684","0.0709","","","","","","1.02","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003619","9.9277","0.0007","10.1798","0.0005","23.3955","0.0014","90","","96.004","0.006","90","","2351.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 Cl Cu N -","- C24 H37 Cl Cu N -","- C96 H148 Cl4 Cu4 N4 -","4","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0635","0.0517","","","0.1199","0.1256","","","","","","1.035","","","","has coordinates,has disorder","254123","2020-10-21","18:00:00",""
"4003620","31.1356","0.0013","13.3923","0.0005","16.9072","0.0007","90","","102.687","0.004","90","","6877.8","0.5","140","2","140","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Cu N2 -","- C36 H45 Cu N2 -","- C288 H360 Cu8 N16 -","8","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","","0.71073","MoKα","","0.0543","0.0387","","","0.0989","0.1063","","","","","","1.045","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003621","30.8829","0.0005","13.4632","0.0002","17.0861","0.0003","90","","103.783","0.002","90","","6899.5","0.2","99.99","0.1","99.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Ag N2 -","- C36 H45 Ag N2 -","- C288 H360 Ag8 N16 -","8","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0376","0.0362","","","0.0839","0.0845","","","","","","1.184","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003622","31.0559","0.0006","13.3859","0.0002","16.9937","0.0003","90","","103.148","0.002","90","","6879.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Au N2 -","- C36 H45 Au N2 -","- C288 H360 Au8 N16 -","8","1","","Chotard, Florian; Sivchik, Vasily; Linnolahti, Mikko; Bochmann, Manfred; Romanov, Alexander S.","Mono- versus Bicyclic Carbene Metal Amide Photoemitters: Which Design Leads to the Best Performance?","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01769","","x-ray","0.71073","MoKα","","0.0347","0.0262","","","0.0622","0.0644","","","","","","1.054","","","","has coordinates","254123","2020-10-21","18:00:00",""
"4003623","13.9195","0.0004","22.9952","0.0007","15.6794","0.0005","90","","111.624","0.002","90","","4665.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C111 H116 Cl6 N2 O6 -","- C111 H116 Cl6 N2 O6 -","- C222 H232 Cl12 N4 O12 -","2","0.5","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.115","0.0831","","","0.2222","0.2442","","","","","","1.043","","","","has coordinates,has disorder","254236","2020-10-21","18:00:00",""
"4003624","19.1734","0.0007","11.1174","0.0004","19.4307","0.0008","90","","104.399","0.001","90","","4011.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H86 Cl4 N2 O6 -","- C104 H86 Cl4 N2 O6 -","- C208 H172 Cl8 N4 O12 -","2","0.5","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","0.71073","MoKα","","0.0771","0.0554","","","0.1398","0.1538","","","","","","1.021","","","","has coordinates,has disorder","254237","2020-10-21","18:00:00",""
"4003625","14.8795","0.0004","15.7293","0.0004","15.7945","0.0004","71.769","0.001","62.062","0.001","87.071","0.001","3081.71","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C132 H158 N2 O6 -","- C132 H158 N2 O6 -","- C132 H158 N2 O6 -","1","0.5","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.0804","0.0734","","","0.1925","0.1985","","","","","","1.034","","","","has coordinates,has disorder","254238","2020-10-21","18:00:00",""
"4003626","9.8063","0.0003","12.4776","0.0005","16.8828","0.0006","73.943","0.002","84.236","0.002","70.453","0.002","1870.69","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H46 N2 O5 -","- C48 H46 N2 O5 -","- C96 H92 N4 O10 -","2","1","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.0771","0.0584","","","0.1581","0.1752","","","","","","1.019","","","","has coordinates","254239","2020-10-21","18:00:00",""
"4003627","12.0932","0.0007","14.5751","0.0009","17.0408","0.001","72.281","0.003","70.244","0.003","87.08","0.003","2688.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 Cl2 N2 O5 -","- C70 H58 Cl2 N2 O5 -","- C140 H116 Cl4 N4 O10 -","2","1","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.052","0.0452","","","0.1203","0.1259","","","","","","1.027","","","","has coordinates","254240","2020-10-21","18:00:00",""
"4003628","12.1149","0.0011","14.7691","0.0014","16.9963","0.0016","70.135","0.003","69.703","0.004","86.331","0.003","2677.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H56 N2 O5 -","- C69 H56 N2 O5 -","- C138 H112 N4 O10 -","2","1","","Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank","1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02115","","","1.54178","CuKα","","0.0575","0.047","","","0.123","0.1338","","","","","","1.033","","","","has coordinates,has disorder","254241","2020-10-21","18:00:00",""
"4003629","6.8852","0.0005","7.26","0.0005","14.7694","0.0009","90","","97.2854","0.0019","90","","732.31","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Bi3 F O14 Se5 -","- Bi3 F O14 Se5 -","- Bi6 F2 O28 Se10 -","2","1","","Chung, Jee Yoon; Jo, Hongil; Yeon, Seongbeom; Byun, Hye Ryung; You, Tae-Soo; Jang, Joon I.; Ok, Kang Min","Bi3(SeO3)3(Se2O5)F: A Polar Bismuth Selenite Fluoride with Polyhedra of Highly Distortive Lone Pair Cations and Strong Second-Harmonic Generation Response","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02167","","","0.71073","MoKα","","0.0344","0.034","","","0.0873","0.0876","","","","","","1.089","","","","has coordinates","254316","2020-10-21","18:00:00",""
"4003630","29.824","0.007","12.296","0.002","22.185","0.004","90","","111.789","0.002","90","","7554","3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br2 O8 -","- C40 H50 Br2 O8 -","- C320 H400 Br16 O64 -","8","2","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.6525","","","0.0999","0.0907","","","0.2364","0.2426","","","","","","1.107","","","","has coordinates,has disorder","257103","2020-10-21","18:00:00",""
"4003631","18.775","0.003","12.5243","0.0019","16.115","0.003","90","","92.208","0.006","90","","3786.5","1.1","173","2","172.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br2 O8 -","- C40 H50 Br2 O8 -","- C160 H200 Br8 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.71073","MoKα","","0.1542","0.0622","","","0.1428","0.1918","","","","","","0.953","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003632","15.3015","0.0005","22.8272","0.0006","18.6041","0.0005","90","","110.21","0.001","90","","6098.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 O8 -","- C72 H78 O8 -","- C288 H312 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.71073","MoKα","","0.1274","0.0757","","","0.1864","0.2308","","","","","","1.014","","","","has coordinates,has disorder","257103","2020-10-21","18:00:00",""
"4003633","18.2924","0.0007","23.5585","0.0008","59.258","0.002","90","","90","","90","","25536.7","1.6","170","2","170.02","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C72 H78 F6 O8 Sb -","- C72 H78 F6 O8 Sb -","- C1152 H1248 F96 O128 Sb16 -","16","0.5","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","1.34139","GaKα","","0.1524","0.0876","","","0.2448","0.2937","","","","","","1.024","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003634","14.4186","0.0006","26.1598","0.001","16.3989","0.0007","90","","107.052","0.003","90","","5913.5","0.4","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 O8 -","- C72 H78 O8 -","- C288 H312 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","1.34139","GaKα","","0.2423","0.0974","","","0.2286","0.3278","","","","","","0.98","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003635","7.1711","0.001","7.1711","0.001","11.7115","0.0017","90","","90","","120","","521.57","0.13","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- F6 Ga3 O6 Rb Se2 -","- F6 Ga3 O6 Rb Se2 -","- F12 Ga6 O12 Rb2 Se4 -","2","0.166667","","Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01971","","","0.71073","MoKα","","0.0374","0.0364","","","0.0951","0.0959","","","","","","1.096","","","","has coordinates","254353","2020-10-21","18:00:00",""
"4003636","7.1876","0.0005","7.1876","0.0005","11.8681","0.0009","90","","90","","120","","530.98","0.07","273","2","273","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- Cs F6 Ga3 O6 Se2 -","- Cs F6 Ga3 O6 Se2 -","- Cs2 F12 Ga6 O12 Se4 -","2","0.166667","","Wu, Chao; Jiang, Xingxing; Lin, Lin; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","AGa3F6(SeO3)2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01971","","","0.71073","MoKα","","0.0429","0.0406","","","0.1317","0.1337","","","","","","1.093","","","","has coordinates","254354","2020-10-21","18:00:00",""
"4003637","6.061","0.002","6.982","0.003","7.872","0.004","102.22","0.03","112.619","0.019","104.02","0.017","280.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Al3 Be N5 Sr2 -","- Al3 Be N5 Sr2 -","- Al6 Be2 N10 Sr4 -","2","1","","Elzer, Eugenia; Strobel, Philipp; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","Illuminating Nitridoberylloaluminates: The Highly Efficient Red-Emitting Phosphor Sr2[BeAl3N5]:Eu2+","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02037","","","0.71073","MoKα","","0.072","0.0366","","","0.057","0.0644","","","","","","1.004","","","","has coordinates","254483","2020-10-21","18:00:00",""
"4003638","7.4132","0.0008","7.5123","0.0007","10.9503","0.0015","90","","105.547","0.012","90","","587.51","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ba2 H I3 Mo O13 -","- Ba2 H I3 Mo O13 -","- Ba4 H2 I6 Mo2 O26 -","2","1","","Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Tang, Ru-Ling; Chen, Jin; Fang, Zhi; Li, Bingxuan; Mao, Jiang-Gao","Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02657","","","0.71073","MoKα","","0.0621","0.059","","","0.1433","0.1479","","","","","","1.071","","","","has coordinates","254556","2020-10-21","18:00:00",""
"4003639","42.4115","0.0007","42.4115","0.0007","42.4115","0.0007","90","","90","","90","","76287","2","120","","120","","","","","","","","","3","P -4 3 m","P -4 2 3","215","","","","- C360 O91 Zn28 -","- C360 O91 Zn28 -","- C360 O91 Zn28 -","1","0.0416667","","Dong, Jinqiao; Shen, Pingchuan; Ying, Shaoming; Li, Zi-Jian; Yuan, Yi Di; Wang, Yuxiang; Zheng, Xiaoyan; Peh, Shing Bo; Yuan, Hongye; Liu, Guoliang; Cheng, Youdong; Pan, Yutong; Shi, Leilei; Zhang, Jian; Yuan, Daqiang; Liu, Bin; Zhao, Zujin; Tang, Ben Zhong; Zhao, Dan","Aggregation-Induced Emission-Responsive Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02277","","","1.54184","CuKα","","0.1031","0.0858","","","0.2157","0.2448","","","","","","1.068","","","","has coordinates","254601","2020-10-21","18:00:00",""
"4003640","7.8784","0.0005","13.2904","0.001","11.1831","0.0009","90","","93.449","0.006","90","","1168.83","0.15","120.01","0.1","120.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H12 B10 O2 S -","- C3 H12 B10 O2 S -","- C12 H48 B40 O8 S4 -","4","1","","Goronzy, Dominic P.; Staněk, Jan; Avery, Erin; Guo, Han; Bastl, Zdeněk; Dušek, Michal; Gallup, Nathan M.; Gün, Saliha; Kučeráková, Monika; Levandowski, Brian J.; Macháček, Jan; Šícha, Václav; Thomas, John C.; Yavuz, Adem; Houk, K. N.; Danışman, Mehmet Fatih; Mete, Ersen; Alexandrova, Anastassia N.; Baše, Tomáš; Weiss, Paul S.","Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02722","","x-ray","1.54184","CuKα","","0.0473","0.0362","","","0.0895","0.0966","","","","1.29","1.29","1.22","","","","has coordinates","254602","2020-10-21","18:00:00",""
"4003641","32.2102","0.0004","6.9016","0.0001","23.2398","0.0005","90","","119.708","0.0016","90","","4487.21","0.15","120","0.1","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 B20 O4 S2 -","- C6 H24 B20 O4 S2 -","- C48 H192 B160 O32 S16 -","8","1","","Goronzy, Dominic P.; Staněk, Jan; Avery, Erin; Guo, Han; Bastl, Zdeněk; Dušek, Michal; Gallup, Nathan M.; Gün, Saliha; Kučeráková, Monika; Levandowski, Brian J.; Macháček, Jan; Šícha, Václav; Thomas, John C.; Yavuz, Adem; Houk, K. N.; Danışman, Mehmet Fatih; Mete, Ersen; Alexandrova, Anastassia N.; Baše, Tomáš; Weiss, Paul S.","Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02722","","x-ray","1.54184","CuKα","","0.0404","0.0376","","","0.1149","0.1173","","","","2.34","2.34","2.29","","","","has coordinates","254603","2020-10-21","18:00:00",""
"4003642","7.9115","0.001","7.9115","0.001","23.385","0.003","90","","90","","90","","1463.7","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C H6 Au Br3 N -","- C H6 Au Br3 N -","- C8 H48 Au8 Br24 N8 -","8","1","","Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00345","","","0.71073","MoKα","","0.0526","0.0292","","","0.0509","0.0574","","","","","","1.028","","","","has coordinates","254654","2020-10-21","18:00:00",""
"4003643","8.3537","0.0004","8.3537","0.0004","24.6556","0.0014","90","","90","","90","","1720.57","0.15","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C H6 Au I3 N -","- C H6 Au I3 N -","- C8 H48 Au8 I24 N8 -","8","1","","Ghosh, Biplab; Febriansyah, Benny; Harikesh, Padinhare Cholakkal; Koh, Teck Ming; Hadke, Shreyash; Wong, Lydia H.; England, Jason; Mhaisalkar, Subodh G.; Mathews, Nripan","Direct Band Gap Mixed-Valence Organic‒inorganic Gold Perovskite as Visible Light Absorbers","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00345","","","0.71073","MoKα","","0.0277","0.0249","","","0.0507","0.052","","","","","","1.081","","","","has coordinates","254655","2020-10-21","18:00:00",""
"4003644","10.009","0.004","16.663","0.008","14.61","0.006","90","","106.65","0.03","90","","2334.5","1.8","100","2","100.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H16 Cl2.667 N12 Zn3.267 -","- C24 H16 Cl2.66667 N12 Zn3.26667 -","- C72 H48 Cl8 N36 Zn9.8 -","3","0.75","","Mian, Mohammad Rasel; Islamoglu, Timur; Afrin, Unjila; Goswami, Subhadip; Cao, Ran; Kirlikovali, Kent O.; Hall, Morgan G.; Peterson, Gregory W.; Farha, Omar K.","Catalytic Degradation of an Organophosphorus Agent at Zn‒OH Sites in a Metal‒Organic Framework","Chemistry of Materials","2020","32","16","6998","7004","10.1021/acs.chemmater.0c02373","","","1.54184","CuKα","","0.0973","0.084","","","0.232","0.2464","","","","","","1.0994","","","","has coordinates","257101","2020-10-21","18:00:00",""
"4003645","8.98497","0.0001","9.07444","0.00007","15.61097","0.00016","105.583","0.0008","90.9628","0.0009","118.507","0.001","1061.45","0.02","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0379","0.0376","","","0.0977","0.0979","","","","","","1.083","","","","has coordinates","255175","2020-10-21","18:00:00",""
"4003646","8.98254","0.00009","9.07534","0.00007","15.60122","0.00014","105.584","0.0007","90.9564","0.0007","118.517","0.0009","1060.52","0.02","280","2","280","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0375","0.0372","","","0.0977","0.098","","","","","","1.087","","","","has coordinates","255176","2020-10-21","18:00:00",""
"4003647","8.96306","0.00008","9.07862","0.00007","15.52776","0.00014","105.576","0.0007","90.8937","0.0007","118.56","0.0009","1053.43","0.019","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0338","0.0334","","","0.0884","0.0887","","","","","","1.095","","","","has coordinates","255177","2020-10-21","18:00:00",""
"4003648","8.97733","0.00008","9.07673","0.00007","15.5804","0.00014","105.581","0.0007","90.9377","0.0007","118.529","0.0008","1058.61","0.019","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0355","0.0352","","","0.0923","0.0925","","","","","","1.104","","","","has coordinates","255178","2020-10-21","18:00:00",""
"4003649","8.99093","0.00008","9.06819","0.00008","15.64192","0.00014","105.595","0.0008","91.0079","0.0007","118.5","0.0009","1063.35","0.02","310","2","310","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0428","0.0424","","","0.1089","0.1093","","","","","","1.067","","","","has coordinates","255179","2020-10-21","18:00:00",""
"4003650","8.99336","0.00008","9.06691","0.00008","15.65427","0.00014","105.6","0.0008","91.0186","0.0008","118.496","0.0009","1064.3","0.02","320","2","320","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0454","0.0449","","","0.1166","0.117","","","","","","1.045","","","","has coordinates","255180","2020-10-21","18:00:00",""
"4003651","8.97224","0.00008","9.07775","0.00007","15.56056","0.00014","105.578","0.0007","90.9202","0.0007","118.54","0.0009","1056.74","0.019","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.037","0.0367","","","0.0979","0.0982","","","","","","1.094","","","","has coordinates","255181","2020-10-21","18:00:00",""
"4003652","8.96756","0.00008","9.07834","0.00007","15.54301","0.00013","105.576","0.0007","90.907","0.0007","118.551","0.0008","1055.01","0.019","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0371","0.0367","","","0.0981","0.0984","","","","","","1.076","","","","has coordinates","255182","2020-10-21","18:00:00",""
"4003653","8.98838","0.00008","9.06949","0.00008","15.62933","0.00014","105.589","0.0008","90.9969","0.0007","118.504","0.0009","1062.39","0.02","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.042","0.0417","","","0.1078","0.1081","","","","","","1.07","","","","has coordinates","255183","2020-10-21","18:00:00",""
"4003654","9.00382","0.00015","9.06181","0.00012","15.705","0.0002","105.617","0.0012","91.0614","0.0013","118.482","0.0015","1068.26","0.03","360","2","360","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0458","0.0455","","","0.1153","0.1155","","","","","","1.029","","","","has coordinates","255184","2020-10-21","18:00:00",""
"4003655","8.99858","0.0001","9.06439","0.00009","15.67955","0.00016","105.607","0.0009","91.0437","0.0009","118.488","0.0011","1066.28","0.02","340","2","340","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H24 Mg2 N6 O12 P6 -","- C2 H24 Mg2 N6 O12 P6 -","- C4 H48 Mg4 N12 O24 P12 -","2","1","","Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi","Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01654","","","1.54184","CuKα","","0.0464","0.0461","","","0.1194","0.1197","","","","","","1.048","","","","has coordinates","255185","2020-10-21","18:00:00",""
"4003656","6.01751","0.00003","6.01751","0.00003","6.01751","0.00003","90","","90","","90","","217.897","0.0019","293","","293","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Li2.33 P Sn0.17 -","- Li2.335 P Sn0.1664 -","- Li9.34 P4 Sn0.6656 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F.","Modifying the Properties of Fast Lithium-Ion Conductors—The Lithium Phosphidotetrelates Li14SiP6, Li14GeP6, and Li14SnP6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02052","powder diffraction","X-rays","1.54056","CuKα~1~","","","","","","","","","1.0675","","","","","","","","has coordinates","255215","2020-10-21","18:00:00",""
"4003657","5.95667","0.00003","5.95667","0.00003","5.95667","0.00003","90","","90","","90","","211.354","0.0018","293","","293","","","","","","","","synthetic","3","F m -3 m","-F 4 2 3","225","","","","- Ge0.17 Li2.33 P -","- Ge0.1658 Li2.334 P -","- Ge0.6632 Li9.336 P4 -","4","0.0208333","","Strangmüller, Stefan; Eickhoff, Henrik; Raudaschl-Sieber, Gabriele; Kirchhain, Holger; Sedlmeier, Christian; van Wüllen, Leo; Gasteiger, Hubert A.; Fässler, Thomas F.","Modifying the Properties of Fast Lithium-Ion Conductors—The Lithium Phosphidotetrelates Li14SiP6, Li14GeP6, and Li14SnP6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02052","powder diffraction","X-rays","1.54056","CuKα~1~","","","","","","","","","1.5216","","","","","","","","has coordinates","255216","2020-10-21","18:00:00",""
"4003658","27.953","0.004","27.953","","9.9004","0.0019","90","","90","","120","","6699.5","1.6","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La41.44 Mo7.56 O85.12 -","- La41.4436 Mo7.55644 O85.1211 -","- La124.331 Mo22.6693 O255.363 -","3","0.0833333","","López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.","Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity","Chemistry of Materials","2020","32","16","7052","7062","10.1021/acs.chemmater.0c02673","powder diffraction","neutron","1.1545","","","","","","","","","0.04363","","3.18","","","","","","","has coordinates","257102","2020-10-21","18:00:00",""
"4003659","20.4941","0.0022","20.4941","","9.5181","0.0011","90","","90","","120","","3462.1","0.5","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La21.17 Mo3.83 O44.88 -","- La21.1668 Mo3.8332 O44.8842 -","- La63.5004 Mo11.4996 O134.653 -","3","0.0833333","","López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.","Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity","Chemistry of Materials","2020","32","16","7052","7062","10.1021/acs.chemmater.0c02673","powder diffraction","neutron","1.1545","","","","","","","","","0.0654","","2.7","","","","","","","has coordinates","257102","2020-10-21","18:00:00",""
"4003660","11.8809","0.0007","20.2321","0.0012","8.0349","0.0004","90","","90","","90","","1931.39","0.19","271.5","0.3","271.5","0.3","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C6 H21 Bi Cl6 F3 N3 -","- C6 H21 Bi Cl6 F3 N3 -","- C24 H84 Bi4 Cl24 F12 N12 -","4","1","","Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02223","","","0.71073","MoKα","","0.0758","0.0533","","","0.1273","0.1337","","","","","","1.014","","","","has coordinates","255322","2020-10-21","18:00:00",""
"4003661","11.962","0.0008","20.4349","0.0015","8.0383","0.0005","90","","90","","90","","1964.9","0.2","383","2","383","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C6 H21 Bi Cl6 F3 N3 -","- C6 H21 Bi Cl6 F3 N3 -","- C24 H84 Bi4 Cl24 F12 N12 -","4","1","","Chu, Lu-Lu; Zhang, Tie; Gao, Ya-Fang; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","Fluorine Substitution in Ethylamine Triggers Second Harmonic Generation in Noncentrosymmetric Crystalline [NH3CH2CH2F]3BiCl6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02223","","","0.71073","MoKα","","0.0567","0.0469","","","0.1243","0.1309","","","","","","1.02","","","","has coordinates","255323","2020-10-21","18:00:00",""
"4003662","8.2106","0.0003","8.2106","0.0003","8.2106","0.0003","90","","90","","90","","553.51","0.04","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Mn O6 Te -","- Ba2 Mn0.99976 O5.99952 Te0.99976 -","- Ba8 Mn3.99904 O23.9981 Te3.99904 -","4","0.0208333","","Mustonen, Otto H. J.; Pughe, Charlotte E.; Walker, Helen C.; Mutch, Heather M.; Stenning, Gavin B. G.; Coomer, Fiona C.; Cussen, Edmund J.","Diamagnetic d-Orbitals Drive Magnetic Structure Selection in the Double Perovskite Ba2MnTeO6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02971","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","2.3373","1.9552","","","","","","","has coordinates","255324","2020-10-21","18:00:00",""
"4003663","8.2066","0.0003","8.2066","0.0003","8.2066","0.0003","90","","90","","90","","552.7","0.03","2","","2","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Mn O6 Te -","- Ba2 Mn0.99976 O5.99952 Te0.99976 -","- Ba8 Mn3.99904 O23.9981 Te3.99904 -","4","0.0208333","","Mustonen, Otto H. J.; Pughe, Charlotte E.; Walker, Helen C.; Mutch, Heather M.; Stenning, Gavin B. G.; Coomer, Fiona C.; Cussen, Edmund J.","Diamagnetic d-Orbitals Drive Magnetic Structure Selection in the Double Perovskite Ba2MnTeO6","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02971","powder diffraction","","","TOFNeutronDiffraction","","","","","","","","","2.5121","3.5355","","","","","","","has coordinates","255325","2020-10-21","18:00:00",""
"4003664","28.104","0.007","4.9819","0.0015","15.811","0.006","90","","92.016","0.027","90","","2212.3","1.2","300","","300","","","","100","","","","","5","P 1 21 1","P 2yb","4","Fmoc-pentafluoro-L-phenylalanine","(S)-2-(Fmoc-amino)-3-(pentafluorophenyl)propionic acid","","- C48 H32 F10 N2 O8 -","- C48 H32 F10 N2 O8 -","- C96 H64 F20 N4 O16 -","2","1","","Cohen-Gerassi, Dana; Arnon, Zohar A.; Guterman, Tom; Levin, Aviad; Ghosh, Moumita; Aviv, Moran; Levy, Davide; Knowles, Tuomas P. J.; Shacham-Diamand, Yosi; Adler-Abramovich, Lihi","Phase Transition and Crystallization Kinetics of a Supramolecular System in a Microfluidic Platform","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02187","powder diffraction","x-ray","1.5405","CuKα~1,2~","","","","","","0.09958","","0.29649","","31.967","","","","","","","has coordinates","255409","2020-10-21","18:00:00",""
"4003665","13.096","0.01","5.955","0.004","7.727","0.006","90","","92.877","0.012","90","","601.8","0.8","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Bi2 F2 O9 Rb2 Se3 -","- Bi2 F2 O9 Rb2 Se3 -","- Bi4 F4 O18 Rb4 Se6 -","2","0.5","","Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning","A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02837","","","0.71073","MoKα","","0.0354","0.0328","","","0.0605","0.0617","","","","","","1.025","","","","has coordinates","255834","2020-10-21","18:00:00",""
"4003666","12.8396","0.0005","5.8831","0.0003","7.6506","0.0003","90","","93.076","0.003","90","","577.07","0.04","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Bi2 F2 K2 O9 Se3 -","- Bi2 F2 K2 O9 Se3 -","- Bi4 F4 K4 O18 Se6 -","2","0.5","","Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning","A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02837","","","0.71073","MoKα","","0.045","0.0449","","","0.1132","0.1134","","","","","","1.019","","","","has coordinates","255835","2020-10-21","18:00:00",""
"4003667","13.0676","0.0002","7.8387","0.0001","6.2164","0.0001","90","","90","","90","","636.764","0.016","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ge Li2 S4 Zn -","- Ge Li2 S4 Zn -","- Ge4 Li8 S16 Zn4 -","4","1","","Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Rosmus, Kimberly A.; Grima, Pedro; Lekse, Jonathan W.; Jang, Joon I.; Aitken, Jennifer A.","α-Li2ZnGeS4: A Wide-Bandgap Diamond-like Semiconductor with Excellent Balance between Laser-Induced Damage Threshold and Second Harmonic Generation Response","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02929","","","0.71073","MoKα","","0.0394","0.0381","","","0.096","0.0977","","","","","","1.065","","","","has coordinates","255836","2020-10-21","18:00:00",""
"4003668","35.45","0.004","5.4065","0.0006","5.3466","0.0006","90","","94.108","0.011","90","","1022.1","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cl4 Cu N2 -","- C18 H28 Cl4 Cu N2 -","- C36 H56 Cl8 Cu2 N4 -","2","0.5","","Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang; Zhang, Yamin; Shao, Xiangfeng; Yang, Dezheng; Zhang, Hao-Li","Two-Dimensional Perovskite Chiral Ferromagnets","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02729","","x-ray","1.54184","CuKα","","0.0925","0.0772","","","0.208","0.2256","","","","","","1.105","","","","has coordinates","255837","2020-10-21","18:00:00",""
"4003669","35.47","0.002","5.4017","0.0003","5.3432","0.0003","90","","94.15","0.005","90","","1021.06","0.1","150","0.1","150","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 Cl4 Cu N2 -","- C18 H28 Cl4 Cu N2 -","- C36 H56 Cl8 Cu2 N4 -","2","0.5","","Sun, Bing; Liu, Xiao-Fei; Li, Xiang-Yang; Zhang, Yamin; Shao, Xiangfeng; Yang, Dezheng; Zhang, Hao-Li","Two-Dimensional Perovskite Chiral Ferromagnets","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02729","","x-ray","1.54184","CuKα","","0.0507","0.0503","","","0.1356","0.1362","","","","","","1.047","","","","has coordinates","255838","2020-10-21","18:00:00",""
"4003670","7.8788","0.0016","10.497","0.002","12.678","0.003","75.92","0.03","75.11","0.03","68.82","0.03","931.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H19 I3 N4 O2 Pb -","- C7 H19 I3 N4 O2 Pb -","- C14 H38 I6 N8 O4 Pb2 -","2","1","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.0592","0.0537","","","0.1263","0.1303","","","","","","0.951","","","","has coordinates","256266","2020-10-21","18:00:00",""
"4003671","22.334","0.005","12.933","0.003","11.629","0.002","90","","90","","90","","3359","1.2","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C4 H16 Br4 N4 O Pb S -","- C4 H16 Br4 N4 O Pb S -","- C32 H128 Br32 N32 O8 Pb8 S8 -","8","2","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.0616","0.0566","","","0.1339","0.1399","","","","","","0.821","","","","has coordinates","256267","2020-10-21","18:00:00",""
"4003672","26.77","0.003","26.77","0.003","14.86","0.002","90","","90","","120","","9222.4","1.9","100","2","100","2","","","","","","","","5","P -6","P -6","174","","","","- C15 H75 I27 N30 Pb6 -","- C15 H75 I27 N30 Pb6 -","- C45 H225 I81 N90 Pb18 -","3","0.5","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.151","0.123","","","0.2654","0.2866","","","","","","1.049","","","","has coordinates,has disorder","256268","2020-10-21","18:00:00",""
"4003673","40.2","0.008","45.72","0.009","4.58","0.0009","90","","90","","90","","8418","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H38 I8 N8 O4 Pb3 -","- C14 H38 I8 N8 O4 Pb3 -","- C112 H304 I64 N64 O32 Pb24 -","8","0.5","","Petrov, Andrey A.; Fateev, Sergey A.; Khrustalev, Victor N.; Li, Yumao; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Formamidinium Haloplumbate Intermediates: The Missing Link in a Chain of Hybrid Perovskites Crystallization","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02156","","","0.80246","synchrotron","","0.048","0.0445","","","0.1014","0.1036","","","","","","0.849","","","","has coordinates","256269","2020-10-21","18:00:00",""
"4003674","9.696","0.002","14.231","0.003","14.463","0.003","61.9","0.03","80.4","0.01","81.798","0.01","1731","0.8","338","","338.01","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","","0.0993","0.0669","","","0.1744","0.1976","","","","","","1.028","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003675","12.0252","0.0007","11.2377","0.0008","12.8272","0.0007","90","","107.647","0.005","90","","1651.84","0.18","293","2","292.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","K-L~3~","0.046","0.0435","","","0.1264","0.1298","","","","","","1.042","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003676","10.6975","0.0018","15.393","0.003","13.243","0.002","90","","106.48","0.012","90","","2091.1","0.6","400","","400","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","1.54178","CuKα","","0.101","0.0938","","","0.3217","0.3423","","","","","","1.513","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003677","10.8057","0.001","15.6397","0.0011","12.2854","0.0012","90","","103.71","0.007","90","","2017.1","0.3","292.95","","292.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","1.54178","CuKα","","0.0471","0.0451","","","0.1331","0.1358","","","","","","1.053","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003678","11.905","0.004","10.908","0.003","12.779","0.004","90","","106.98","0.009","90","","1587.1","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","K-L~3~","0.0449","0.0382","","","0.1017","0.1076","","","","","","1.033","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003679","11.435","0.004","12.244","0.004","12.327","0.004","75.535","0.016","89.055","0.016","84.774","0.019","1664.2","1","250","","250.01","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0673","0.0463","","","0.1141","0.1252","","","","","","1.037","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003680","10.567","0.003","10.408","0.003","14.788","0.004","90","","95.028","0.012","90","","1620.1","0.8","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nifedipine","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","0.71073","MoKα","","0.037","0.0355","","","0.0981","0.0994","","","","","","1.061","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003681","10.784","0.006","15.647","0.01","11.918","0.007","90","","102.459","0.014","90","","1964","2","100.01","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","K-L~3~","0.0482","0.0403","","","0.1085","0.1138","","","","","","1.064","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003682","11.4502","0.0005","12.3005","0.0006","12.3562","0.0008","75.627","0.01","89.094","0.006","84.933","0.007","1679.19","0.17","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O5.9995 -","- C68 H72 N8 O23.998 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","","0.0474","0.0438","","","0.1181","0.1216","","","","","","1.036","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003683","10.929","0.003","10.304","0.004","14.812","0.005","90","","93.166","0.017","90","","1665.5","1","297","2","297.44","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0868","0.0473","","","0.1076","0.1255","","","","","","1.031","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003684","19.065","0.006","11.506","0.004","15.109","0.005","90","","108.962","0.018","90","","3134.5","1.8","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C136 H144 N16 O48 -","8","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0613","0.0576","","","0.1581","0.1603","","","","","","1.129","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003685","25.1726","0.0018","25.1726","0.0018","36.76","0.003","90","","90","","90","","23293","3","250","","250","","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Ce38 O33.33 -","- Ce38 O33.3332 -","- Ce76 O66.6664 -","2","0.25","","Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.","Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02740","","x-ray","1.54178","CuKα","","0.4172","0.3723","","","0.7872","0.8067","","","","","","3.644","","","","has coordinates","256461","2020-10-21","18:00:00",""
"4003686","23.2865","0.0008","23.2865","0.0008","34.8183","0.0014","90","","90","","90","","18880.6","1.2","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C114 H80 Ce38 O114 -","- C114 H80 Ce38 O114 -","- C228 H160 Ce76 O228 -","2","0.125","","Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K.","Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02740","","","0.71073","MoKα","","0.1589","0.1092","","","0.3307","0.4052","","","","","","1.329","","","","has coordinates","256462","2020-10-21","18:00:00",""
"4003687","16.79","0.002","8.0795","0.0011","7.7649","0.0011","90","","90","","90","","1053.3","0.2","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.0126","0.0124","","","0.0299","0.0299","","","","","","1.082","","","","has coordinates","256742","2020-10-21","18:00:00",""
"4003688","6.741","0.016","16.67","0.04","9.65","0.02","90","","90","","90","","1084","4","363","2","363","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.2715","0.0976","","","0.2399","0.343","","","","","","1.005","","","","has coordinates,has disorder","256743","2020-10-21","18:00:00",""
"4003689","16.942","0.004","8.202","0.002","7.811","0.002","90","","90","","90","","1085.4","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H14 Cd Cl3 N O -","- C5 H14 Cd Cl3 N O -","- C20 H56 Cd4 Cl12 N4 O4 -","4","1","","Deswal, Swati; Singh, Sachin Kumar; Pandey, Richa; Nasa, Parveen; Kabra, Dinesh; Praveenkumar, Balu; Ogale, Satishchandra; Boomishankar, Ramamoorthy","Neutral 1D Perovskite-Type ABX3 Ferroelectrics with High Mechanical Energy Harvesting Performance","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02179","","","0.71073","MoKα","","0.0178","0.0169","","","0.0376","0.0382","","","","","","1.153","","","","has coordinates","256744","2020-10-21","18:00:00",""
"4003690","8.9377","0.0003","9.8247","0.0004","9.1683","0.0003","90","","106.746","0.001","90","","770.93","0.05","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Ba Bi O14 P4 Rb3 -","- Ba Bi O14 P4 Rb3 -","- Ba2 Bi2 O28 P8 Rb6 -","2","1","","Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien","A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03383","","","0.71073","MoKα","","0.0316","0.0261","","","0.0535","0.0545","","","","","","0.981","","","","has coordinates","256808","2020-10-21","18:00:00",""
"4003691","9.4656","0.0003","9.9015","0.0003","17.6265","0.0006","90","","90","","90","","1652.02","0.09","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Bi Cs3 O14 P4 -","- Ba Bi Cs3 O14 P4 -","- Ba4 Bi4 Cs12 O56 P16 -","4","1","","Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien","A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03383","","","0.71073","MoKα","","0.0258","0.0211","","","0.0385","0.0394","","","","","","0.907","","","","has coordinates","256809","2020-10-21","18:00:00",""
"4003692","8.0618","0.0005","7.8928","0.0004","19.7697","0.0012","90","","101.734","0.002","90","","1231.66","0.12","200","2","199.98","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","1","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0394","0.0358","","","0.0748","0.0764","","","","","","1.061","","","","has coordinates","258232","2020-10-21","18:00:00",""
"4003693","5.7059","0.0005","5.7059","0.0005","40.293","0.006","90","","90","","90","","1311.8","0.3","400","2","400.15","","","","","","","","","7","I 4/m m m","-I 4 2","139","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.0625","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0835","0.0545","","","0.1524","0.1703","","","","","","1.094","","","","has coordinates,has disorder","258233","2020-10-21","18:00:00",""
"4003694","8.0589","0.0009","8.0388","0.0009","19.876","0.002","90","","101.719","0.004","90","","1260.8","0.2","298","2","298.02","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Liu, Xitao; Xu, Zhiyun; Long, Peiqing; Yao, Yunpeng; Ji, Chengmin; Li, Lina; Sun, Zhihua; Hong, Maochun; Luo, Junhua","A Multiaxial Layered Halide Double Perovskite Ferroelectric with Multiple Ferroic Orders","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02966","","x-ray","0.71073","MoKα","","0.0884","0.056","","","0.1347","0.1478","","","","","","1.066","","","","has coordinates,has disorder","258234","2020-10-21","18:00:00",""
"4003695","11.4701","0.0004","11.2676","0.0004","10.4804","0.0004","90","","90","","90","","1354.49","0.08","293","","293","","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- Ga3 La2 O7.5 -","- Ga3 La2 O7.5 -","- Ga24 La16 O60 -","8","1","","Fan, Jintai; Sarou-Kanian, Vincent; Yang, Xiaoyan; Diaz-Lopez, Maria; Fayon, Franck; Kuang, Xiaojun; Pitcher, Michael J.; Allix, Mathieu","La2Ga3O7.5: A Metastable Ternary Melilite with a Super-Excess of Interstitial Oxide Ions Synthesized by Direct Crystallization of the Melt","Chemistry of Materials","2020","32","20","9016","9025","10.1021/acs.chemmater.0c03441","powder diffraction","x-ray","0.41273","","","0.019","0.019","","0.0239","0.0239","","","","1.75","","","","","","","has coordinates","258706","2020-11-04","01:19:33",""
"4003696","16.7728","0.0014","24.4188","0.0019","21.8661","0.0017","90","","91.092","0.004","90","","8954.1","1.2","230","2","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H81 Ag2.91 Au9.59 S9 -","- C78 H81 Ag2.907 Au9.593 S9 -","- C312 H324 Ag11.628 Au38.372 S36 -","4","1","","Li, Yingwei; Biswas, Saborni; Luo, Tian-Yi; Juarez-Mosqueda, Rosalba; Taylor, Michael G.; Mpourmpakis, Giannis; Rosi, Nathaniel L.; Hendrich, Michael P.; Jin, Rongchao","Doping Effect on the Magnetism of Thiolate-Capped 25-Atom Alloy Nanoclusters","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02984","","x-ray","1.54178","CuKα","","0.0507","0.0417","","","0.1111","0.1178","","","","","","1.051","","","","has coordinates","258531","2020-10-21","22:21:34",""
"4003697","4.7896","0.0002","50.055","0.003","6.505","0.0004","90","","105.331","0.007","90","","1504.03","0.15","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H28 N4 O4 -","- C40 H28 N4 O4 -","- C80 H56 N8 O8 -","2","1","","Kumagai, Shohei; Ishii, Hiroyuki; Watanabe, Go; Annaka, Tatsuro; Fukuzaki, Eiji; Tani, Yukio; Sugiura, Hiroki; Watanabe, Tetsuya; Kurosawa, Tadanori; Takeya, Jun; Okamoto, Toshihiro","Cooperative Aggregations of Nitrogen-Containing Perylene Diimides Driven by Rigid and Flexible Functional Groups","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01888","","","1.54187","CuKα","","0.0983","0.0699","","","0.1682","0.2017","","","","","","0.928","","","","has coordinates","258560","2020-10-22","22:31:56",""
"4003698","7.7598","0.0004","4.7937","0.0003","35.5839","0.0019","90","","94.412","0.007","90","","1319.73","0.13","302","","302","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N4 O4 -","- C36 H20 N4 O4 -","- C72 H40 N8 O8 -","2","0.5","","Kumagai, Shohei; Ishii, Hiroyuki; Watanabe, Go; Annaka, Tatsuro; Fukuzaki, Eiji; Tani, Yukio; Sugiura, Hiroki; Watanabe, Tetsuya; Kurosawa, Tadanori; Takeya, Jun; Okamoto, Toshihiro","Cooperative Aggregations of Nitrogen-Containing Perylene Diimides Driven by Rigid and Flexible Functional Groups","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01888","","","1.54187","CuKα","","0.1715","0.0851","","","0.2029","0.2688","","","","","","1.038","","","","has coordinates","258561","2020-10-22","22:32:19",""
"4003699","6.0482","0.0004","13.5208","0.0008","19.2871","0.0012","90","","95.364","0.002","90","","1570.32","0.17","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 Pt -","- C16 H30 Pt -","- C64 H120 Pt4 -","4","0.5","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0119","0.0118","","","0.0303","0.0304","","","","","","1.21","","","","has coordinates","258615","2020-10-27","23:20:23",""
"4003700","5.8662","0.0003","21.5914","0.0011","22.3599","0.001","90","","91.6292","0.0015","90","","2830.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Pt -","- C14 H26 Pt -","- C112 H208 Pt8 -","8","2","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0157","0.0142","","","0.029","0.0293","","","","","","1.169","","","","has coordinates","258616","2020-10-27","23:20:49",""
"4003701","9.717","0.0004","11.9545","0.0005","13.2835","0.0006","90","","110.537","0.0015","90","","1444.97","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 Br Pt -","- C14 H23 Br Pt -","- C56 H92 Br4 Pt4 -","4","2","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0227","0.0189","","","0.0325","0.0335","","","","","","1.07","","","","has coordinates","258617","2020-10-27","23:21:11",""
"4003702","6.2341","0.0002","10.3493","0.0003","18.936","0.0006","90","","92.5422","0.0008","90","","1220.52","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Pt -","- C12 H22 Pt -","- C48 H88 Pt4 -","4","1","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.03","0.0278","","","0.0693","0.0703","","","","","","1.23","","","","has coordinates","258618","2020-10-27","23:21:34",""
"4003703","18.3933","0.0006","9.0744","0.0003","11.3108","0.0004","90","","104.951","0.001","90","","1823.95","0.11","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 Pt -","- C20 H34 Pt -","- C80 H136 Pt4 -","4","0.5","","Liu, Sumeng; Zhang, Zhejun; Gray, Danielle; Zhu, Lingyang; Abelson, John R.; Girolami, Gregory S.","Platinum ω-Alkenyl Compounds as Chemical Vapor Deposition Precursors: Synthesis and Characterization of Pt[CH2CMe2CH2CH═CH2]2 and the Impact of Ligand Design on the Deposition Process","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03226","","","0.71073","MoKα","","0.0195","0.0172","","","0.0367","0.0374","","","","","","1.125","","","","has coordinates","258619","2020-10-27","23:21:58",""
"4003704","12.3556","0.0012","11.0024","0.0011","7.2861","0.0007","90","","90","","90","","990.48","0.17","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Se2 -","- Ba F2 Mo2 O10 Se2 -","- Ba4 F8 Mo8 O40 Se8 -","4","0.5","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response","Chemistry of Materials","2020","32","22","9688","9695","10.1021/acs.chemmater.0c03353","","","0.71073","MoKα","","0.0394","0.039","","","0.1013","0.1016","","","","","","1.093","","","","has coordinates","259513","2020-12-04","02:15:51",""
"4003705","12.5605","0.0007","11.0264","0.0006","7.2858","0.0006","90","","90","","90","","1009.06","0.11","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Te2 -","- Ba F2 Mo2 O10 Te2 -","- Ba4 F8 Mo8 O40 Te8 -","4","0.5","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response","Chemistry of Materials","2020","32","22","9688","9695","10.1021/acs.chemmater.0c03353","","","0.71073","MoKα","","0.0249","0.0235","","","0.0559","0.0568","","","","","","1.053","","","","has coordinates","259513","2020-12-04","02:15:51",""
"4003706","3.9063","0.0002","3.9063","0.0002","10.436","0.0009","90","","90","","90","","159.245","0.018","299","2","299.19","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cu4.23 Rb S2 Te -","- Cu4.232 Rb S2 Te -","- Cu4.232 Rb S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0211","0.0173","","","0.0336","0.0343","","","","","","1.133","","","","has coordinates","259173","2020-11-18","23:20:31",""
"4003707","3.889","0.003","3.889","0.003","10.269","0.008","90","","90","","90","","155.3","0.2","300","","300","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cu4.22 K S2 Te -","- Cu4.223 K S2 Te -","- Cu4.223 K S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0195","0.0169","","","0.03","0.0306","","","","","","1.146","","","","has coordinates","259174","2020-11-18","23:20:53",""
"4003708","3.9443","0.0005","3.9443","0.0005","10.689","0.003","90","","90","","90","","166.29","0.06","300","","300","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Cs Cu4.17 S2 Te -","- Cs Cu4.173 S2 Te -","- Cs Cu4.173 S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0153","0.0151","","","0.039","0.0392","","","","","","1.164","","","","has coordinates","259175","2020-11-18","23:21:12",""
"4003709","18.117","0.018","3.937","0.004","9.982","0.01","90","","102.542","0.017","90","","695","1.2","300","2","300","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cu8 K3 S4 Te2 -","- Cu8 K3 S4 Te2 -","- Cu16 K6 S8 Te4 -","2","0.25","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Slade, Tyler J.; Wolverton, Chris; Kanatzidis, Mercouri G.","Mixed-Valent Copper Chalcogenides: Tuning Structures and Electronic Properties Using Multiple Anions","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03620","","","0.71073","MoKα","","0.0977","0.0523","","","0.1071","0.1221","","","","","","1.006","","","","has coordinates","259176","2020-11-18","23:21:33",""
"4003710","12.3109","0.0005","12.3269","0.0005","12.5501","0.0005","83.794","0.003","61.629","0.004","69.996","0.004","1571.27","0.13","150.03","0.11","150.03","0.11","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0687","0.0502","","","0.1222","0.1325","","","","","","1.063","","","","has coordinates","259217","2020-11-21","23:26:02",""
"4003711","12.3404","0.0005","12.3475","0.0005","12.5777","0.0005","61.702","0.004","83.854","0.003","70.058","0.004","1582.83","0.13","200.01","0.1","200.15","","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.0693","0.0503","","","0.1206","0.1313","","","","","","1.064","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003712","12.352","0.001","12.3884","0.0009","12.6137","0.001","61.774","0.008","83.962","0.007","70.143","0.007","1595.9","0.3","250.01","0.1","250.01","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0727","0.0503","","","0.1176","0.1292","","","","","","1.055","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003713","12.3568","0.0007","12.3965","0.0006","12.6191","0.0007","61.777","0.005","83.979","0.004","70.163","0.005","1598.53","0.18","260.01","0.1","260.01","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0728","0.0498","","","0.1177","0.1297","","","","","","1.053","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003714","12.3669","0.0009","12.4054","0.0008","12.6172","0.0009","61.79","0.007","83.901","0.006","70.19","0.007","1601.4","0.2","270.01","0.1","270.01","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0731","0.0504","","","0.122","0.1343","","","","","","1.057","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003715","12.3619","0.001","12.4114","0.0009","12.6194","0.001","61.792","0.008","83.897","0.007","70.2","0.007","1602","0.3","280","0.1","280","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0746","0.0507","","","0.1218","0.1348","","","","","","1.062","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003716","12.3613","0.0008","12.4197","0.0007","12.6305","0.0008","61.795","0.006","83.89","0.005","70.211","0.006","1604.6","0.2","285","0.1","285","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0775","0.0524","","","0.1276","0.1415","","","","","","1.058","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003717","12.358","0.0006","12.4241","0.0006","12.6348","0.0006","61.798","0.005","83.948","0.004","70.235","0.005","1605.44","0.17","290","0.1","290","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.079","0.0533","","","0.1339","0.1492","","","","","","1.064","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003718","12.3576","0.0006","12.4308","0.0006","12.6413","0.0006","61.811","0.005","83.964","0.004","70.259","0.004","1607.51","0.16","295","0.1","295","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0819","0.055","","","0.1375","0.1531","","","","","","1.065","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003719","12.3576","0.0006","12.4403","0.0006","12.6515","0.0006","61.802","0.005","83.982","0.004","70.257","0.004","1609.84","0.16","300","0.1","300","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0846","0.0568","","","0.1411","0.1581","","","","","","1.058","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003720","12.3499","0.0006","12.4427","0.0006","12.6546","0.0006","61.797","0.005","84.006","0.004","70.277","0.004","1609.63","0.16","305","0.1","305","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0856","0.0571","","","0.1429","0.1596","","","","","","1.075","","","","has coordinates,has disorder","259217","2020-11-21","23:26:04",""
"4003721","12.3453","0.0006","12.4515","0.0007","12.6638","0.0006","61.802","0.005","84.009","0.004","70.293","0.005","1611.59","0.17","310","0.1","310","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0884","0.059","","","0.1495","0.1672","","","","","","1.063","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003722","12.3403","0.0007","12.4634","0.0007","12.6799","0.0006","61.782","0.005","83.994","0.004","70.307","0.005","1614.4","0.18","315","0.1","315","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0905","0.0582","","","0.1429","0.1603","","","","","","1.049","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003723","12.3278","0.0007","12.4746","0.0007","12.6948","0.0007","61.776","0.005","84.004","0.004","70.311","0.005","1616.03","0.18","320","0.1","320","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0919","0.06","","","0.1475","0.1657","","","","","","1.068","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003724","12.3121","0.0007","12.4938","0.0007","12.7234","0.0007","61.748","0.006","83.986","0.004","70.332","0.005","1619.93","0.19","325","0.1","325","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0973","0.0608","","","0.1485","0.169","","","","","","1.052","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003725","12.274","0.0008","12.5196","0.0008","12.7656","0.0008","61.726","0.006","83.95","0.005","70.355","0.006","1623.6","0.2","330","0.1","330","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.103","0.0627","","","0.155","0.1789","","","","","","1.049","","","","has coordinates,has disorder","259217","2020-11-21","23:26:05",""
"4003726","11.7635","0.001","12.716","0.0012","13.2423","0.0014","61.743","0.01","83.25","0.008","70.312","0.008","1640.7","0.3","335","0.1","335","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1964","0.0776","","","0.1792","0.2426","","","","","","0.96","","","","has coordinates","259217","2020-11-21","23:26:05",""
"4003727","11.742","0.004","12.726","0.006","13.244","0.008","61.97","0.06","83.7","0.05","70.4","0.04","1642.9","1.7","340","0.1","340.15","","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.3859","0.1346","","","0.2872","0.4305","","","","","","0.894","","","","has coordinates","259217","2020-11-21","23:26:05",""
"4003728","12.3091","0.0008","12.3318","0.0007","12.5556","0.0008","83.814","0.005","61.692","0.006","70.031","0.006","1573.7","0.2","150.04","0.1","150.15","","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.0795","0.0674","","","0.1769","0.1901","","","","","","1.054","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003729","12.3396","0.0006","12.3455","0.0007","12.5794","0.0007","61.758","0.006","83.839","0.004","70.09","0.004","1583.94","0.18","200.12","0.18","200.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0759","0.0605","","","0.1645","0.1802","","","","","","1.048","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003730","12.3506","0.0006","12.3765","0.0008","12.6006","0.0008","61.82","0.007","83.971","0.005","70.183","0.005","1593.7","0.2","250.13","0.19","250.13","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0804","0.0611","","","0.1615","0.1791","","","","","","1.073","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003731","12.3527","0.0004","12.3932","0.0004","12.6146","0.0005","61.837","0.004","83.951","0.003","70.212","0.003","1598.55","0.12","260.12","0.18","260.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0848","0.0651","","","0.1831","0.2079","","","","","","1.034","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003732","12.3546","0.0008","12.4019","0.0008","12.6211","0.0008","61.853","0.007","83.943","0.005","70.265","0.006","1601.6","0.2","270.12","0.18","270.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0813","0.0616","","","0.1632","0.1804","","","","","","1.078","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003733","12.3557","0.0008","12.409","0.0008","12.6301","0.0009","61.858","0.007","83.964","0.005","70.253","0.006","1603.7","0.2","280.13","0.19","280.13","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0824","0.0611","","","0.1661","0.1848","","","","","","1.089","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003734","12.3543","0.0007","12.4144","0.0008","12.6333","0.0008","61.848","0.007","83.983","0.005","70.265","0.005","1604.6","0.2","285.12","0.18","285.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.085","0.062","","","0.1649","0.1833","","","","","","1.077","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003735","12.3519","0.0006","12.4178","0.0008","12.6384","0.0008","61.849","0.006","84.019","0.005","70.287","0.005","1605.5","0.2","290","0.1","290","0.1","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0936","0.0668","","","0.1809","0.2113","","","","","","1.022","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003736","12.3518","0.0006","12.4273","0.0007","12.6453","0.0008","61.848","0.006","84.024","0.004","70.296","0.005","1607.67","0.19","295.12","0.18","295.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0846","0.0622","","","0.1696","0.1875","","","","","","1.077","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003737","12.3464","0.0006","12.4297","0.0008","12.6507","0.0008","61.839","0.006","84.038","0.005","70.31","0.005","1608","0.2","300.13","0.19","300.13","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0983","0.0692","","","0.1869","0.2186","","","","","","1.02","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003738","12.345","0.0006","12.4404","0.0008","12.6608","0.0008","61.851","0.006","84.06","0.005","70.327","0.005","1610.8","0.2","305.11","0.17","305.11","0.17","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1018","0.0703","","","0.1903","0.2265","","","","","","1.032","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003739","12.3393","0.0006","12.4487","0.0008","12.6703","0.0008","61.836","0.007","84.063","0.005","70.338","0.005","1612.2","0.2","310.11","0.16","310.11","0.16","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0966","0.0678","","","0.1877","0.2186","","","","","","1.05","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003740","12.3316","0.0006","12.4604","0.0008","12.6856","0.0009","61.826","0.007","84.054","0.005","70.356","0.005","1614.7","0.2","315.11","0.17","315.11","0.17","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0985","0.0671","","","0.1864","0.2229","","","","","","1.032","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003741","12.3204","0.0007","12.4737","0.0008","12.7049","0.0009","61.817","0.007","84.055","0.005","70.363","0.005","1617.3","0.2","320.12","0.18","320.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1112","0.0721","","","0.194","0.2397","","","","","","1.044","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003742","12.2986","0.0007","12.4901","0.0008","12.733","0.0009","61.801","0.007","84.024","0.005","70.382","0.006","1620.2","0.2","325.12","0.18","325.12","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetone solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1127","0.0707","","","0.1849","0.2209","","","","","","1.04","","","","has coordinates,has disorder","259218","2020-11-21","23:27:53",""
"4003743","12.268","0.0017","12.561","0.002","12.796","0.002","61.832","0.019","83.988","0.014","70.362","0.016","1633.7","0.6","330.11","0.16","330.11","0.16","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2997","0.1375","","","0.3201","0.4574","","","","","","0.969","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003744","11.7995","0.0013","12.718","0.002","13.25","0.002","61.777","0.016","83.313","0.011","70.332","0.013","1647.6","0.5","335.11","0.16","335.11","0.16","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N5.5 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.229","0.0986","","","0.2564","0.3724","","","","","","0.912","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003745","11.839","0.002","12.711","0.003","13.24","0.003","61.98","0.02","83.451","0.019","70.26","0.02","1653.1","0.7","329.88","0.19","329.88","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.3241","0.1452","","","0.3365","0.4864","","","","","","0.978","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003746","12.2556","0.0016","12.498","0.002","12.774","0.002","61.82","0.018","84.034","0.013","70.369","0.014","1620.9","0.5","324.88","0.18","324.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2769","0.1265","","","0.3038","0.4401","","","","","","1.001","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003747","12.2925","0.0013","12.4694","0.0018","12.7203","0.0019","61.826","0.015","84.022","0.011","70.36","0.012","1615.3","0.5","319.89","0.17","319.89","0.17","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2498","0.1188","","","0.2871","0.4095","","","","","","0.947","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003748","12.3095","0.0012","12.4552","0.0016","12.69","0.0017","61.858","0.013","84.058","0.009","70.355","0.01","1612.2","0.4","314.88","0.19","314.88","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2187","0.1021","","","0.2576","0.3663","","","","","","0.954","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003749","12.3233","0.0012","12.4463","0.0017","12.6753","0.0018","61.872","0.014","84.076","0.01","70.331","0.011","1610.9","0.4","309.88","0.18","309.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2089","0.0955","","","0.247","0.348","","","","","","0.924","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003750","12.3242","0.0013","12.4292","0.0017","12.6654","0.0018","61.87","0.014","84.046","0.01","70.318","0.011","1607.4","0.4","304.88","0.19","304.88","0.19","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2247","0.1083","","","0.2692","0.383","","","","","","0.946","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003751","12.328","0.0012","12.4196","0.0015","12.6493","0.0016","61.88","0.013","84.069","0.009","70.309","0.01","1604.6","0.4","299.88","0.18","299.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2031","0.0955","","","0.2352","0.323","","","","","","0.95","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003752","12.3367","0.0012","12.4183","0.0016","12.6483","0.0017","61.869","0.014","84.077","0.01","70.289","0.011","1605.1","0.4","294.9","0.2","294.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2123","0.1007","","","0.2488","0.3442","","","","","","0.964","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003753","12.3384","0.0012","12.4127","0.0017","12.6478","0.0018","61.878","0.014","84.054","0.01","70.267","0.011","1604.4","0.4","289.88","0.18","289.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2267","0.109","","","0.2655","0.3793","","","","","","0.959","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003754","12.3384","0.0012","12.404","0.0015","12.632","0.0016","61.872","0.013","84.037","0.009","70.243","0.01","1601","0.4","284.87","0.18","284.87","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2054","0.1021","","","0.2486","0.3388","","","","","","0.955","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003755","12.3367","0.0012","12.3971","0.0016","12.6262","0.0017","61.846","0.013","84.026","0.01","70.239","0.01","1598.7","0.4","279.9","0.2","279.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2342","0.1178","","","0.2794","0.3974","","","","","","0.98","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003756","12.3381","0.0012","12.3911","0.0015","12.62","0.0016","61.862","0.013","84.023","0.009","70.233","0.01","1597.5","0.4","274.88","0.18","274.88","0.18","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2041","0.099","","","0.2415","0.3379","","","","","","0.952","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003757","12.3411","0.0012","12.3789","0.0016","12.61","0.0017","61.851","0.013","83.989","0.01","70.176","0.01","1594.4","0.4","259.9","0.2","259.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.2476","0.1295","","","0.305","0.4308","","","","","","1.078","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003758","12.3363","0.001","12.3705","0.0012","12.5962","0.0013","61.827","0.01","83.958","0.008","70.162","0.008","1590.5","0.3","249.9","0.2","249.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1583","0.0825","","","0.1964","0.2439","","","","","","0.977","","","","has coordinates,has disorder","259218","2020-11-21","23:27:54",""
"4003759","12.3315","0.001","12.3589","0.0012","12.5898","0.0013","61.806","0.01","83.941","0.008","70.149","0.008","1587.1","0.3","239.9","0.2","239.9","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.171","0.0929","","","0.2243","0.2841","","","","","","0.969","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003760","12.3255","0.001","12.3417","0.0013","12.5804","0.0014","61.763","0.011","83.908","0.008","70.11","0.009","1581.9","0.3","219.8","0.2","219.8","0.2","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1854","0.0996","","","0.2342","0.3024","","","","","","0.958","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003761","12.3148","0.001","12.3245","0.0013","12.5642","0.0014","61.72","0.011","83.854","0.008","70.065","0.009","1575.3","0.3","199.8","0.4","199.8","0.4","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1766","0.096","","","0.2319","0.2981","","","","","","0.961","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003762","12.3169","0.0011","12.318","0.0013","12.5594","0.0014","61.695","0.011","83.845","0.008","70.035","0.009","1573.4","0.3","179.8","0.4","179.8","0.4","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","","0.71073","MoKα","","0.2433","0.1119","","","0.2635","0.3713","","","","","","0.936","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003763","12.297","0.0015","12.31","0.0014","12.5469","0.0015","83.839","0.01","61.617","0.013","70.042","0.011","1567.2","0.4","159.5","0.9","159.5","0.9","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H26 Fe N6 O4 S -","- C74 H52 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1944","0.1101","","","0.2676","0.3568","","","","","","0.989","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003764","12.2879","0.0017","12.3085","0.0017","12.5397","0.0016","83.826","0.012","61.611","0.014","69.996","0.014","1564.3","0.5","139.7","0.6","139.7","0.6","","","","","","","","6","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate acetonitrile solvate","","- C37 H29 Fe N6 O4 S -","- C37 H29 Fe N6 O4 S -","- C74 H58 Fe2 N12 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1756","0.0964","","","0.2389","0.322","","","","","","0.96","","","","has coordinates,has disorder","259218","2020-11-21","23:27:55",""
"4003765","11.6736","0.0002","12.3309","0.0003","14.1938","0.0002","83.749","0.002","77.675","0.002","89.164","0.002","1984.11","0.07","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0652","0.0534","","","0.1456","0.1571","","","","","","1.166","","","","has coordinates","259219","2020-11-21","23:31:11",""
"4003766","11.6917","0.0003","12.3497","0.0005","14.2037","0.0005","83.777","0.003","77.663","0.003","89.162","0.003","1991.62","0.12","150.02","0.1","150.02","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0523","0.0413","","","0.1056","0.1108","","","","","","1.136","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003767","11.6878","0.0002","12.3526","0.0002","14.21","0.0002","83.784","0.001","77.734","0.001","89.166","0.001","1992.87","0.06","160.02","0.1","160.02","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0512","0.0394","","","0.0956","0.1011","","","","","","1.12","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003768","11.6907","0.0002","12.3565","0.0002","14.2137","0.0002","83.797","0.001","77.746","0.001","89.171","0.001","1994.65","0.06","170.01","0.1","170.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0517","0.0401","","","0.1002","0.1056","","","","","","1.137","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003769","11.6939","0.0002","12.3587","0.0002","14.2174","0.0002","83.805","0.001","77.758","0.001","89.179","0.001","1996.19","0.06","180","0.1","180","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.051","0.0389","","","0.0931","0.0988","","","","","","1.094","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003770","11.7001","0.0003","12.362","0.0004","14.2129","0.0005","83.789","0.003","77.715","0.003","89.167","0.002","1996.77","0.11","190","0.1","190","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0505","0.0375","","","0.0915","0.0972","","","","","","1.097","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003771","11.6999","0.0002","12.3651","0.0003","14.218","0.0004","83.804","0.002","77.743","0.002","89.166","0.002","1998.22","0.08","200","0.1","200","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.051","0.0375","","","0.088","0.0939","","","","","","1.09","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003772","11.7017","0.0002","12.3726","0.0003","14.2247","0.0003","83.817","0.002","77.773","0.002","89.175","0.002","2000.96","0.07","210","0.1","210","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0503","0.0368","","","0.0859","0.0916","","","","","","1.081","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003773","11.7033","0.0002","12.3801","0.0003","14.231","0.0003","83.835","0.002","77.797","0.002","89.187","0.002","2003.58","0.07","220","0.1","220","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0515","0.0377","","","0.0895","0.0956","","","","","","1.084","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003774","11.7027","0.0002","12.3866","0.0002","14.2358","0.0003","83.857","0.002","77.822","0.002","89.194","0.002","2005.48","0.07","230","0.1","230","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0527","0.0379","","","0.0893","0.096","","","","","","1.078","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003775","11.7021","0.0002","12.3965","0.0002","14.2419","0.0002","83.874","0.001","77.849","0.001","89.214","0.001","2008.1","0.06","240.01","0.1","240.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.053","0.0372","","","0.0874","0.0943","","","","","","1.075","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003776","11.6994","0.0002","12.4106","0.0002","14.2475","0.0002","83.89","0.001","77.891","0.001","89.229","0.001","2011.09","0.06","250","0.1","250","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0545","0.0375","","","0.0865","0.094","","","","","","1.062","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003777","11.6921","0.0002","12.4305","0.0002","14.2527","0.0002","83.903","0.001","77.943","0.001","89.252","0.001","2014.22","0.06","260.01","0.1","260.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.058","0.0393","","","0.0914","0.0999","","","","","","1.066","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003778","11.6757","0.0002","12.4664","0.0002","14.2575","0.0002","83.914","0.001","78.033","0.001","89.298","0.001","2018.59","0.06","270.01","0.1","270.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0602","0.0394","","","0.0885","0.0976","","","","","","1.045","","","","has coordinates","259219","2020-11-21","23:31:13",""
"4003779","11.6428","0.0002","12.5292","0.0002","14.2611","0.0003","83.927","0.002","78.177","0.002","89.385","0.002","2024.65","0.07","280","0.1","280","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0658","0.0416","","","0.0961","0.1066","","","","","","1.063","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003780","11.5976","0.0002","12.6154","0.0003","14.2654","0.0003","83.945","0.002","78.391","0.002","89.498","0.002","2032.88","0.08","290.01","0.1","290.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0688","0.0417","","","0.0965","0.1085","","","","","","1.05","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003781","11.562","0.0002","12.6887","0.0003","14.2701","0.0003","83.971","0.002","78.579","0.002","89.596","0.002","2040.51","0.08","300","0.1","300","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0719","0.0429","","","0.1013","0.1146","","","","","","1.051","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003782","11.5373","0.0003","12.7433","0.0003","14.2705","0.0003","83.999","0.002","78.729","0.002","89.674","0.002","2046.12","0.09","310.01","0.1","310.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.075","0.0442","","","0.1026","0.1166","","","","","","1.057","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003783","11.5254","0.0003","12.7852","0.0004","14.2685","0.0004","84.017","0.002","78.849","0.002","89.744","0.002","2051.33","0.1","320.01","0.1","320.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0782","0.046","","","0.1099","0.1244","","","","","","1.062","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003784","11.5439","0.0003","12.7502","0.0003","14.2529","0.0003","83.958","0.002","78.729","0.002","89.701","0.002","2045.7","0.09","310","0.1","310","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.077","0.0453","","","0.1081","0.1224","","","","","","1.05","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003785","11.5679","0.0002","12.7029","0.0003","14.2437","0.0003","83.908","0.002","78.585","0.002","89.64","0.002","2039.83","0.08","300","0.1","300","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0758","0.0448","","","0.1043","0.1184","","","","","","1.055","","","","has coordinates","259219","2020-11-21","23:31:14",""
"4003786","11.5982","0.0002","12.6415","0.0003","14.2355","0.0003","83.865","0.002","78.413","0.002","89.553","0.002","2032.74","0.08","290","0.1","290","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0735","0.0437","","","0.0994","0.1132","","","","","","1.047","","","","has coordinates","259219","2020-11-21","23:31:15",""
"4003787","11.6391","0.0002","12.5643","0.0003","14.2317","0.0003","83.826","0.002","78.216","0.002","89.45","0.002","2025.36","0.08","280.01","0.1","280.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.071","0.0438","","","0.104","0.1159","","","","","","1.067","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003788","11.6762","0.0002","12.4922","0.0003","14.2264","0.0003","83.8","0.002","78.037","0.002","89.354","0.002","2018.01","0.08","270.01","0.1","270.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0674","0.0432","","","0.0972","0.1082","","","","","","1.055","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003789","11.6997","0.0002","12.4486","0.0002","14.2237","0.0002","83.782","0.002","77.92","0.001","89.294","0.002","2013.7","0.06","260.01","0.1","260.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0626","0.0415","","","0.0961","0.1054","","","","","","1.062","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003790","11.7098","0.0002","12.4204","0.0002","14.2165","0.0002","83.764","0.001","77.851","0.001","89.256","0.001","2009.28","0.06","250.01","0.1","250.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0587","0.04","","","0.0941","0.1025","","","","","","1.07","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003791","11.7164","0.0002","12.4037","0.0002","14.2131","0.0002","83.747","0.002","77.801","0.001","89.237","0.001","2006.79","0.06","240.01","0.1","240.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monhydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0584","0.0403","","","0.0924","0.1007","","","","","","1.055","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003792","11.718","0.0002","12.3915","0.0002","14.2067","0.0002","83.726","0.002","77.765","0.001","89.217","0.001","2003.84","0.06","230.01","0.1","230.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0562","0.0399","","","0.0938","0.1014","","","","","","1.073","","","","has coordinates","259219","2020-11-21","23:31:16",""
"4003793","11.7185","0.0002","12.3826","0.0002","14.202","0.0003","83.71","0.002","77.74","0.001","89.207","0.001","2001.57","0.06","220.03","0.1","220.03","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0554","0.0395","","","0.0909","0.0983","","","","","","1.051","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003794","11.7178","0.0002","12.3746","0.0003","14.1962","0.0003","83.69","0.002","77.715","0.002","89.197","0.002","1999.08","0.07","210.04","0.1","210.04","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0541","0.0393","","","0.0923","0.0993","","","","","","1.06","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003795","11.7149","0.0002","12.3629","0.0003","14.1853","0.0003","83.659","0.002","77.669","0.002","89.187","0.002","1994.69","0.07","189.99","0.14","189.99","0.14","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0535","0.0397","","","0.093","0.0985","","","","","","1.089","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003796","11.7137","0.0002","12.3595","0.0003","14.1815","0.0004","83.639","0.002","77.645","0.002","89.186","0.002","1993.14","0.08","180","0.13","180","0.13","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0535","0.0403","","","0.0927","0.0987","","","","","","1.072","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003797","11.7115","0.0002","12.3568","0.0003","14.1773","0.0004","83.625","0.002","77.629","0.002","89.185","0.002","1991.56","0.08","169.9","0.2","169.9","0.2","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0541","0.0413","","","0.0987","0.1044","","","","","","1.092","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003798","11.7056","0.0002","12.353","0.0002","14.1782","0.0002","83.631","0.001","77.643","0.001","89.19","0.001","1990.2","0.06","159.9","0.2","159.9","0.2","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0548","0.0419","","","0.1023","0.1083","","","","","","1.103","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003799","11.7168","0.0002","12.3682","0.0003","14.1905","0.0003","83.674","0.002","77.687","0.002","89.189","0.002","1996.8","0.07","200","0.16","200","0.16","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0552","0.0411","","","0.099","0.1056","","","","","","1.076","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003800","11.7015","0.0002","12.3484","0.0002","14.1728","0.0002","83.609","0.001","77.633","0.001","89.177","0.001","1987.85","0.06","149.88","0.19","149.88","0.19","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene) monohydrate","","- C41 H28 F3 Fe I3 N5 O5 S -","- C41 H28 F3 Fe I3 N5 O5 S -","- C82 H56 F6 Fe2 I6 N10 O10 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0545","0.0423","","","0.1029","0.1091","","","","","","1.1","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003801","11.534","0.0005","12.8567","0.0008","14.2396","0.0007","84.058","0.005","79.041","0.004","89.894","0.004","2061.59","0.19","350.01","0.1","350.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0991","0.0591","","","0.1752","0.2003","","","","","","1.074","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003802","11.6372","0.0005","12.899","0.0005","14.1483","0.0005","95.834","0.003","101.001","0.003","90.133","0.003","2073.44","0.14","400.01","0.1","400.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1145","0.0534","","","0.1406","0.1699","","","","","","1.024","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003803","11.7221","0.0005","12.9457","0.0006","14.1334","0.0006","95.581","0.004","101.025","0.004","90.249","0.004","2094.61","0.16","450.01","0.1","450.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1341","0.0555","","","0.1466","0.1843","","","","","","1.002","","","","has coordinates","259219","2020-11-21","23:31:17",""
"4003804","11.6686","0.0003","12.8789","0.0004","14.0665","0.0004","95.911","0.002","101.141","0.002","90.143","0.002","2062.49","0.1","400","0.1","400","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1108","0.0525","","","0.1323","0.1571","","","","","","1.027","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003805","11.6647","0.0003","12.8722","0.0004","14.0602","0.0004","95.972","0.002","101.158","0.002","90.117","0.002","2059.46","0.1","390","0.1","390","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1066","0.0512","","","0.1264","0.1505","","","","","","1.029","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003806","11.6601","0.0003","12.8615","0.0004","14.0508","0.0004","96.029","0.002","101.193","0.002","90.096","0.002","2055.11","0.1","380","0.1","380","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.1037","0.0506","","","0.1187","0.1419","","","","","","1.019","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003807","11.6559","0.0003","12.8494","0.0003","14.0438","0.0004","96.092","0.002","101.225","0.002","90.081","0.002","2050.95","0.09","370","0.1","370","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0996","0.0504","","","0.1207","0.142","","","","","","1.029","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003808","11.6469","0.0005","12.8411","0.0007","14.0342","0.0007","96.202","0.004","101.213","0.004","90.065","0.004","2046.3","0.18","359.99","0.1","359.99","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0962","0.0496","","","0.1164","0.1365","","","","","","1.029","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003809","11.6474","0.0004","12.8314","0.0005","14.0304","0.0005","96.258","0.003","101.278","0.003","90.033","0.003","2043.62","0.13","350","0.1","350","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0923","0.0479","","","0.1122","0.1319","","","","","","1.023","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003810","11.6467","0.0004","12.8175","0.0004","14.0231","0.0005","96.319","0.003","101.329","0.003","90.006","0.003","2039.62","0.12","340","0.1","340","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0903","0.0482","","","0.1135","0.1326","","","","","","1.034","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003811","11.6488","0.0003","12.8048","0.0004","14.0189","0.0004","83.614","0.002","78.612","0.002","89.988","0.002","2036.67","0.1","330","0.1","330","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0862","0.0466","","","0.1102","0.127","","","","","","1.043","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003812","11.6512","0.0003","12.789","0.0003","14.0131","0.0004","83.548","0.002","78.554","0.002","89.954","0.002","2033.07","0.09","320","0.1","320","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0836","0.047","","","0.1055","0.1213","","","","","","1.027","","","","has coordinates","259219","2020-11-21","23:31:18",""
"4003813","11.6531","0.0003","12.7689","0.0003","14.0057","0.0004","83.472","0.002","78.494","0.002","89.925","0.002","2028.4","0.09","310","0.1","310","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0811","0.046","","","0.1054","0.1209","","","","","","1.031","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003814","11.6613","0.0003","12.7484","0.0003","14.0028","0.0003","83.395","0.002","78.415","0.002","89.886","0.002","2025.28","0.08","300","0.1","300","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0778","0.0459","","","0.1072","0.1217","","","","","","1.035","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003815","11.6729","0.0003","12.7207","0.0003","14.0001","0.0003","83.32","0.002","78.317","0.002","89.839","0.002","2021.49","0.08","290","0.1","290","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0761","0.0456","","","0.1051","0.1181","","","","","","1.043","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003816","11.6911","0.0003","12.6824","0.0003","13.9985","0.0003","83.239","0.002","78.203","0.002","89.788","0.002","2017.16","0.08","280.01","0.1","280.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0738","0.0444","","","0.1042","0.118","","","","","","1.041","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003817","11.7141","0.0003","12.63","0.0003","13.9981","0.0003","83.158","0.002","78.045","0.002","89.715","0.002","2011.24","0.08","270","0.1","270","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0717","0.0438","","","0.0996","0.1121","","","","","","1.041","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003818","11.7448","0.0003","12.5681","0.0003","14.0004","0.0003","83.083","0.002","77.873","0.002","89.62","0.002","2005.4","0.08","260.01","0.1","260.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0674","0.0416","","","0.0924","0.1034","","","","","","1.051","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003819","11.7827","0.0003","12.4928","0.0003","14.0077","0.0003","83.019","0.002","77.674","0.002","89.496","0.002","1999.14","0.08","250.01","0.1","250.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0662","0.0423","","","0.0975","0.1084","","","","","","1.045","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003820","11.8079","0.0003","12.4299","0.0003","14.0076","0.0003","82.972","0.002","77.514","0.002","89.39","0.002","1991.94","0.08","240.01","0.1","240.01","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0631","0.0419","","","0.0973","0.1072","","","","","","1.056","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003821","11.8205","0.0003","12.3982","0.0003","14.0057","0.0003","82.929","0.002","77.425","0.002","89.331","0.002","1987.86","0.08","230.02","0.1","230.02","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.059","0.0406","","","0.0943","0.1031","","","","","","1.053","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003822","11.8276","0.0003","12.3812","0.0003","14.0032","0.0003","82.891","0.002","77.369","0.002","89.299","0.002","1985.38","0.08","220.03","0.1","220.03","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0572","0.0398","","","0.0942","0.1022","","","","","","1.072","","","","has coordinates","259219","2020-11-21","23:31:19",""
"4003823","11.8305","0.0002","12.3683","0.0003","13.9991","0.0003","82.858","0.002","77.321","0.002","89.276","0.002","1982.71","0.07","210.04","0.11","210.04","0.11","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0574","0.0409","","","0.1048","0.1135","","","","","","1.119","","","","has coordinates","259219","2020-11-21","23:31:20",""
"4003824","11.8322","0.0002","12.3594","0.0003","13.9949","0.0003","82.826","0.002","77.284","0.002","89.26","0.002","1980.55","0.07","200.04","0.1","200.04","0.1","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0554","0.0401","","","0.0966","0.1044","","","","","","1.08","","","","has coordinates","259219","2020-11-21","23:31:20",""
"4003825","11.8326","0.0002","12.3511","0.0003","13.991","0.0003","82.79","0.002","77.247","0.002","89.251","0.002","1978.29","0.07","189.99","0.14","189.99","0.14","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0542","0.0395","","","0.094","0.1007","","","","","","1.086","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003826","11.8332","0.0002","12.3448","0.0003","13.9874","0.0003","82.753","0.002","77.209","0.002","89.246","0.002","1976.41","0.07","179.98","0.16","179.98","0.16","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0556","0.0414","","","0.1033","0.1102","","","","","","1.109","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003827","11.8317","0.0003","12.3456","0.0004","13.9916","0.0005","82.774","0.003","77.228","0.003","89.277","0.002","1977.1","0.11","169.96","0.18","169.96","0.18","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.07","0.0504","","","0.125","0.1352","","","","","","1.078","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003828","11.832","0.0002","12.3306","0.0004","13.9763","0.0004","82.654","0.002","77.122","0.002","89.231","0.002","1971.24","0.09","149.8","0.3","149.8","0.3","","","","","","","","8","P -1","-P 1","2","","bis(4-methoxy-2-(((quinolin-8-yl)imino)methyl)phenolato)-iron(iii) thiocyanate (2,4,5-tetrafluoro-1,3,5-triiodobenzene)","","- C41 H26 F3 Fe I3 N5 O4 S -","- C41 H26 F3 Fe I3 N5 O4 S -","- C82 H52 F6 Fe2 I6 N10 O8 S2 -","2","1","","Zuluaga, Andrés Reyes; Brock, Aidan J.; Pfrunder, Michael C.; Phonsri, Wasinee; Murray, Keith S.; Harding, Phimphaka; Micallef, Aaron S.; Mullen, Kathleen M.; Clegg, Jack K.; Harding, David J.; McMurtrie, John C.","Three-Way Switchable Single-Crystal-to-Single-Crystal Solvatomorphic Spin Crossover in a Molecular Cocrystal","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03396","","x-ray","0.71073","MoKα","","0.0586","0.0448","","","0.114","0.1226","","","","","","1.1","","","","has coordinates","259219","2020-11-21","23:31:21",""
"4003829","17.44296","0.00016","6.93532","0.00007","10.32709","0.0001","90","","93.9042","0.0005","90","","1246.39","0.02","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Tetralithium cadmium ditin heptasulfide","","- Cd Li4 S7 Sn2 -","- Cd Li4 S7 Sn2 -","- Cd4 Li16 S28 Sn8 -","4","1","","Zhang, Jian-Han; Stoyko, Stanislav S.; Craig, Andrew J.; Grima, Pedro; Kotchey, Joshua W.; Jang, Joon I.; Aitken, Jennifer A.","Phase Matching, Strong Frequency Doubling, and Outstanding Laser-Induced Damage Threshold in the Biaxial, Quaternary Diamond-like Semiconductor Li4CdSn2S7","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03268","","","0.71073","MoKα","","0.0145","0.0142","","","0.0385","0.0386","","","","","","1.126","","","","has coordinates","259262","2020-11-26","23:23:22",""
"4003830","7.534","0.0003","8.0865","0.0004","13.015","0.0005","101.614","0.004","96.329","0.003","103.651","0.004","744.31","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Cu2 I3 N4 -","- C7 H15 Cu2 I3 N4 -","- C14 H30 Cu4 I6 N8 -","2","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0286","0.0218","","","0.0484","0.0491","","","","","","0.953","","","","has coordinates","260416","2021-01-04","03:07:18",""
"4003831","8.8107","0.0003","11.8934","0.0004","15.5661","0.0006","90","","97.24","0.004","90","","1618.15","0.1","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 Cu2 I3 N4 -","- C9 H19 Cu2 I3 N4 -","- C36 H76 Cu8 I12 N16 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0195","0.017","","","0.0309","0.0314","","","","","","1.179","","","","has coordinates","260416","2021-01-04","03:07:21",""
"4003832","8.53445","0.00017","18.4144","0.0004","13.5504","0.0004","90","","93.443","0.002","90","","2125.69","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cu4 I5 N5 -","- C9 H18 Cu4 I5 N5 -","- C36 H72 Cu16 I20 N20 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0339","0.0218","","","0.0305","0.0319","","","","","","0.909","","","","has coordinates","260416","2021-01-04","03:07:21",""
"4003833","5.6326","0.0011","5.6326","0.0011","8.0606","0.0018","90","","90","","120","","221.47","0.08","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- O8 P2 Rb3 Yb -","- O7.9998 P2 Rb3 Yb -","- O7.9998 P2 Rb3 Yb -","1","0.0833333","","Guo, Shu; Zhong, Ruidan; Górnicka, Karolina; Klimczuk, Tomasz; Cava, R. J.","Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2","Chemistry of Materials","2020","32","24","10670","10677","10.1021/acs.chemmater.0c03850","","","0.71073","MoKα","","0.0194","0.0182","","","0.0454","0.0458","","","","","","1.173","","","","has coordinates,has disorder","260417","2021-01-04","03:07:28",""
"4003834","10.392","0.002","11.488","0.002","10.99","0.002","90","","107.422","0.007","90","","1251.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 F3 K N O3 S -","- C7 H13 F3 K N O3 S -","- C28 H52 F12 K4 N4 O12 S4 -","4","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.1583","0.0814","","","0.1689","0.1983","","","","","","1.035","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003835","18.2533","0.0014","32.815","0.003","32.965","0.003","90","","90","","90","","19745","3","100","","100","","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C7.25 H11.5 Cl0.5 F3 K N O3 S -","- C7.25 H11.5 Cl0.5 F3 K N O3 S -","- C464 H736 Cl32 F192 K64 N64 O192 S64 -","64","2","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","","0.71073","MoKα","","0.0639","0.0392","","","0.094","0.1061","","","","","","1.047","","","","has coordinates,has disorder","260418","2021-01-04","03:07:43",""
"4003836","10.2695","0.0006","10.8187","0.0006","14.2434","0.0009","87.874","0.002","74.624","0.002","86.247","0.002","1522.24","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 K N O3 S -","- C5 H9 F3 K N O3 S -","- C30 H54 F18 K6 N6 O18 S6 -","6","3","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.0277","0.0218","","","0.0508","0.0542","","","","","","1.029","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003837","6.4411","0.0006","8.8961","0.001","11.4897","0.0012","87.753","0.004","73.755","0.003","81.989","0.003","625.91","0.11","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C7 H13 F3 K N O4 S -","- C7 H13 F3 K N O4 S -","- C14 H26 F6 K2 N2 O8 S2 -","2","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","","0.71073","MoKα","","0.0281","0.0258","","","0.0608","0.0614","","","","","","1.074","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003838","7.344","0.0005","7.7957","0.0005","9.1286","0.0006","96.33","0.002","90.086","0.002","95.585","0.002","516.94","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 K N O4 S -","- C5 H9 F3 K N O4 S -","- C10 H18 F6 K2 N2 O8 S2 -","2","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.0276","0.0221","","","0.0508","0.0548","","","","","","1.115","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003839","10.519","0.0012","17.848","0.002","11.6429","0.0013","90","","94.87","0.001","90","","2178","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.67 H2.89 N0.22 O0.22 S0.22 -","- C2.66667 H2.88889 N0.222222 O0.222222 S0.222222 -","- C96 H104 N8 O8 S8 -","36","9","","Zhang, Bingjie; Zhang, Yueyan; Yang, Xiaodong; Li, Guoping; Zhang, Sikun; Zhang, Yanfeng; Yu, Demei; Liu, Zishun; He, Gang","Isometric Thionated Naphthalene Diimides As Organic Cathodes for High Capacity Lithium Batteries","Chemistry of Materials","2020","32","24","10575","10583","10.1021/acs.chemmater.0c03661","","","0.71073","MoKα","","0.0464","0.0379","","","0.1016","0.1083","","","","","","1.03","","","","has coordinates","260419","2021-01-04","03:07:56",""
"4003840","9.90381","0.00009","9.90381","0.00009","7.44188","0.00009","90","","90","","120","","632.147","0.011","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- F0.9 H0.1 Mn3 O12.1 Sr5 -","- F0.9 H0.102 Mn3 O12.102 Sr5 -","- F1.8 H0.204 Mn6 O24.204 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.041","2.2","","","","","","","has coordinates","260420","2021-01-04","03:08:07",""
"4003841","9.90213","0.00011","9.90213","0.00011","7.44471","0.0001","90","","90","","120","","632.173","0.013","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- F0.83 Mn2.826 O12 Si0.174 Sr5 -","- F0.825 Mn2.826 O12 Si0.174 Sr5 -","- F1.65 Mn5.652 O24 Si0.348 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.3994","2","","","","","","","has coordinates","260420","2021-01-04","03:08:12",""
"4003842","9.95283","0.00009","9.95283","0.00009","7.45254","0.00009","90","","90","","120","","639.334","0.011","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","","","","- H Mn3 O13 Sr5 -","- H Mn3 O13 Sr5 -","- H2 Mn6 O26 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.9519","2","","","","","","","has coordinates","260420","2021-01-04","03:08:15",""
"4003843","9.9572","0.00016","9.9572","0.00016","7.44779","0.00016","90","","90","","120","","639.49","0.02","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- H0.84 Mn2.841 O12.84 Si0.159 Sr5 -","- H0.842 Mn2.841 O12.842 Si0.159 Sr5 -","- H1.684 Mn5.682 O25.684 Si0.318 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.731","1.6","","","","","","","has coordinates","260420","2021-01-04","03:08:15",""
"4003844","22.301","0.003","37.511","0.005","27.083","0.005","90","","104.789","0.016","90","","21905","6","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H93 F4 N4 O2 S4 -","- C116 H93 F4 N4 O2 S4 -","- C928 H744 F32 N32 O16 S32 -","8","2","","Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei","Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c04318","","x-ray","1.54184","CuKα","","0.2159","0.1204","","","0.325","0.391","","","","","","1.018","","","","has coordinates","260205","2020-12-29","23:31:25",""
"4003845","10.7771","0.0014","18.5061","0.0015","26.1941","0.0018","77.309","0.007","88.059","0.008","90.002","0.008","5093.5","0.9","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C121 H112 F4 N4 O2 S4 -","- C121 H112 F4 N4 O2 S4 -","- C242 H224 F8 N8 O4 S8 -","2","1","","Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei","Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c04318","","x-ray","1.54184","CuKα","","0.255","0.1558","","","0.4464","0.526","","","","","","1.221","","","","has coordinates,has disorder","260205","2020-12-29","23:31:30",""
"4003846","14.47","0.0005","19.616","0.0006","35.4927","0.0009","90","","92.58","0.003","90","","10064.2","0.5","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C121 H112 F4 N4 O2 S4 -","- C121 H112 F4 N4 O2 S4 -","- C484 H448 F16 N16 O8 S16 -","4","1","","Jia, Boyu; Li, Mengyang; Zhou, Jiadong; Xiao, Yiqun; Zhang, Shenghan; Wang, Jiayu; Lu, Xinhui; Xie, Zengqi; Tang, Zheng; Zhan, Xiaowei","Isomeric Effect in Unidirectionally Extended Fused-Ring Electron Acceptors","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c04318","","x-ray","1.54184","CuKα","","0.1474","0.0952","","","0.254","0.289","","","","","","1.022","","","","has coordinates,has disorder","260205","2020-12-29","23:31:30",""
"4003847","26.85534","0.00017","26.85534","0.00017","26.85534","0.00017","90","","90","","90","","19368.3","0.2","90","","90","","","","101","","activated at 473 K for 10 min, and cooled to 90 K","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H50.56 O36.16 Zr6 -","- C81.48 H50.56 O36.16 Zr6 -","- C325.92 H202.24 O144.64 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0316","5.909","","","","","","","has coordinates","260302","2020-12-31","23:25:27",""
"4003848","26.818","0.0002","26.818","0.0002","26.818","0.0002","90","","90","","90","","19287.6","0.2","480","","480","","","","101","","activated at 473 K for 10 min, and cooled to 90 K, then stepwisely heated to 480 K","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H50.56 O36.16 Zr6 -","- C81.48 H50.56 O36.16 Zr6 -","- C325.92 H202.24 O144.64 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0341","6.232","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003849","26.784","0.0005","26.784","0.0005","26.784","0.0005","90","","90","","90","","19214.4","0.6","90","","90","","","","101","","activated at 473 K for 10 min, and cooled to 90 K","","synthetic","5","F m -3 m","-F 4 2 3","225","UiO-67-NH2","Zr(IV) 2-Amino-4,4'-biphenyldicarboxylate metal-organic framework","","- C78.12 H43.06 N5.58 O40 Zr6 -","- C78.12 H43.06 N5.58 O40 Zr6 -","- C312.48 H172.24 N22.32 O160 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.054","9.322","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003850","26.7196","0.0005","26.7196","0.0005","26.7196","0.0005","90","","90","","90","","19076.1","0.6","480","","480","","","","101","","activated at 473 K for 10 min, and cooled to 90 K, then stepwisely heated to 480 K","","synthetic","5","F m -3 m","-F 4 2 3","225","UiO-67-NH2","Zr(IV) 2-Amino-4,4'-biphenyldicarboxylate metal-organic framework","","- C78.12 H43.06 N5.58 O40 Zr6 -","- C78.12 H43.06 N5.58 O40 Zr6 -","- C312.48 H172.24 N22.32 O160 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.057","9.608","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003851","26.7734","0.0002","26.7734","0.0002","26.7734","0.0002","90","","90","","90","","19191.6","0.2","298","","298","","","","101","","no activation","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H46.56 O61.92 Zr6 -","- C81.48 H46.56 O61.92 Zr6 -","- C325.92 H186.24 O247.68 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0406","1.525","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003852","26.5695","0.0003","26.5695","0.0003","26.5695","0.0003","90","","90","","90","","18756.4","0.4","580","","580","","","","101","","no activation, heated from room temperaure to 580 K directly","","synthetic","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C81.48 H46.56 O30.22 Zr6 -","- C81.48 H46.56 O30.224 Zr6 -","- C325.92 H186.24 O120.896 Zr24 -","4","0.0208333","","Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric","Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03889","powder diffraction","x-ray","0.35364","","","","","","","","","","0.0417","1.481","","","","","","","has coordinates","260302","2020-12-31","23:25:29",""
"4003853","4.851","0.003","15.583","0.013","31.935","0.019","84.3","0.07","89.69","0.06","88.27","0.05","2401","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H59 N6 O6 S6 -","- C45 H59 N6 O6 S6 -","- C90 H118 N12 O12 S12 -","2","1","","Liu, Bingyong; Li, Jing; Zeng, Wenwu; Yang, Wei; Yan, Hui; Li, Da-cheng; Zhou, Yinhua; Gao, Xike; Zhang, Qing","High-Performance Organic Semiconducting Polymers by a Resonance-Assisted Hydrogen Bonding Approach","Chemistry of Materials","2021","33","2","580","588","10.1021/acs.chemmater.0c03720","","","1.54178","CuKα","","0.1999","0.1026","","","0.313","0.3801","","","","","","0.964","","","","has coordinates","261498","2021-02-04","03:30:00",""
"4003854","4.9878","0.0004","9.7409","0.0008","19.1522","0.0017","101.842","0.003","94.838","0.003","103.9","0.002","875.26","0.13","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 Br2 N4 O4 S4 -","- C30 H38 Br2 N4 O4 S4 -","- C30 H38 Br2 N4 O4 S4 -","1","0.5","","Liu, Bingyong; Li, Jing; Zeng, Wenwu; Yang, Wei; Yan, Hui; Li, Da-cheng; Zhou, Yinhua; Gao, Xike; Zhang, Qing","High-Performance Organic Semiconducting Polymers by a Resonance-Assisted Hydrogen Bonding Approach","Chemistry of Materials","2021","33","2","580","588","10.1021/acs.chemmater.0c03720","","","1.54178","CuKα","","0.0556","0.0484","","","0.1619","0.1673","","","","","","1.062","","","","has coordinates","261498","2021-02-04","03:30:02",""
"4003855","4.015","0.0018","4.015","0.0018","11.766","0.005","90","","90","","120","","164.26","0.13","300","","300","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- As Na Sn -","- As Na Sn -","- As2 Na2 Sn2 -","2","0.166667","","Ochs, Andrew M.; Gorai, Prashun; Wang, Yaxian; Scudder, Michael R.; Koster, Karl; Moore, Curtis E.; Stevanovic, Vladan; Heremans, Joseph P.; Windl, Wolfgang; Toberer, Eric S.; Goldberger, Joshua E.","Computationally Guided Discovery of Axis-Dependent Conduction Polarity in NaSnAs Crystals","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04030","","x-ray","0.71073","MoKα","K-L~3~","0.0329","0.031","","","0.0736","0.0742","","","","","","1.635","","","","has coordinates","261003","2021-01-16","23:14:35",""
"4003856","3.8701","0.0001","15.2836","0.0005","5.8211","0.0002","90","","93.608","0.003","90","","343.63","0.019","160","0.1","160","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C18 H12 O4 -","2","1","","Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo","Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04560","","x-ray","1.54184","CuKα","","0.0396","0.0343","","","0.087","0.0904","","","","","","1.05","","","","has coordinates","261357","2021-02-01","23:36:14",""
"4003857","15.5258","0.0015","5.669","0.0004","7.9119","0.0006","90","","90","","90","","696.37","0.1","303.2","0.1","303.2","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo","Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04560","","x-ray","1.54184","CuKα","","0.0728","0.0689","","","0.18","0.1998","","","","","","1.183","","","","has coordinates","261358","2021-02-01","23:36:35",""
"4003858","15.5205","0.0009","5.663","0.0002","7.9163","0.0005","90","","90","","90","","695.78","0.06","293","","293","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo","Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04560","","x-ray","1.54184","CuKα","","0.062","0.0523","","","0.1272","0.1393","","","","","","1.06","","","","has coordinates","261359","2021-02-01","23:36:51",""
"4003859","8.8931","0.0004","10.3264","0.0005","14.3451","0.0007","103.923","0.003","92.734","0.003","106.388","0.003","1217.22","0.1","299","2","299.46","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N2 O2 S2 -","- C26 H30 N2 O2 S2 -","- C52 H60 N4 O4 S4 -","2","1","","Grabicki, Niklas; Dumele, Oliver; Sai, Hiroaki; Powers-Riggs, Natalia E.; Phelan, Brian T.; Sangji, M. Hussain; Chapman, Craig T.; Passarelli, James V.; Dannenhoffer, Adam J.; Wasielewski, Michael R.; Stupp, Samuel I.","Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers","Chemistry of Materials","2021","33","2","706","718","10.1021/acs.chemmater.0c04123","","","1.54178","CuKα","","0.0588","0.0482","","","0.1298","0.139","","","","","","1.041","","","","has coordinates,has disorder","261427","2021-02-03","22:32:13",""
"4003860","4.5558","0.0004","15.5895","0.0015","34.87","0.003","90","","93.504","0.007","90","","2471.9","0.4","299","2","299.49","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N2 O S3 -","- C26 H30 N2 O S3 -","- C104 H120 N8 O4 S12 -","4","1","","Grabicki, Niklas; Dumele, Oliver; Sai, Hiroaki; Powers-Riggs, Natalia E.; Phelan, Brian T.; Sangji, M. Hussain; Chapman, Craig T.; Passarelli, James V.; Dannenhoffer, Adam J.; Wasielewski, Michael R.; Stupp, Samuel I.","Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers","Chemistry of Materials","2021","33","2","706","718","10.1021/acs.chemmater.0c04123","","","1.54178","CuKα","","0.0861","0.0537","","","0.1312","0.1482","","","","","","1.027","","","","has coordinates,has disorder","261428","2021-02-03","22:32:37",""
"4003861","4.5636","0.0011","4.5636","0.0011","7.228","0.002","90","","90","","120","","130.37","0.06","298.15","","298.15","","","","101325","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.0152","0.0152","","","0.0323","0.0323","","","","","","1.182","","","","has coordinates","261429","2021-02-03","22:33:00",""
"4003862","4.4808","0.0003","4.4808","0.0003","7.066","0.003","90","","90","","120","","122.86","0.05","298.15","","298.15","","","","3210000","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.1687","0.0924","","","0.1759","0.3306","","","","","","1.634","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003863","4.442","0.0019","4.442","0.0019","7.001","0.006","90","","90","","120","","119.63","0.13","298.15","","298.15","","","","4880000","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.1006","0.0826","","","0.2198","0.286","","","","","","1.511","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003864","15.118","0.007","4.2228","0.0007","7.7014","0.0012","90","","117.56","0.02","90","","435.9","0.2","298.15","","298.15","","","","7740000","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg12 Sb8 -","4","0.5","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.196","0.1272","","","0.3127","0.4647","","","","","","1.933","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003865","10.6652","0.0007","11.9991","0.0008","16.053","0.0008","90","","90","","90","","2054.3","0.2","243","2","243","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl0.77 F0.23 Mn N9 P -","- C14 H18 Cl0.77 F0.23 Mn N9 P -","- C56 H72 Cl3.08 F0.92 Mn4 N36 P4 -","4","1","","He, Lei; Shi, Ping-Ping; Zhao, Meng-Meng; Liu, Cai-Ming; Zhang, Wen; Ye, Qiong","Emergent Chirality and Nonlinear Optical Switching in a Ferroelastic Molecular Perovskite Solid Solution","Chemistry of Materials","2021","33","2","799","805","10.1021/acs.chemmater.0c04735","","","0.71073","MoKα","","0.1347","0.1282","","","0.2785","0.2796","","","","","","1.017","","","","has coordinates","261430","2021-02-03","22:34:49",""
"4003866","43.827","0.0011","21.4937","0.0006","24.7957","0.0006","90","","90","","90","","23357.7","1","173","2","173","2","","","","","","","","5","F m m 2","F 2 -2","42","Hf-TCBPA-MOF","","","- C81 H56 Hf6 N2 O36 -","- C81 H56 Hf6 N2 O36 -","- C648 H448 Hf48 N16 O288 -","8","0.5","","Hu, Xuefu; Wang, Zhiye; Su, Yuming; Chen, Peican; Jiang, Yibin; Zhang, Cankun; Wang, Cheng","Metal‒Organic Layers with an Enhanced Two-Photon Absorption Cross-Section and Up-Converted Emission","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c03457","","","0.71073","MoKα","","0.0699","0.0504","","","0.1367","0.1449","","","","","","1.115","","","","has coordinates","261980","2021-02-15","23:36:50",""
"4003867","13.088","0.003","13.088","0.003","9.592","0.005","90","","90","","120","","1422.9","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- B6 Ba7 O18 Sn -","- B6 Ba7 O18 Sn -","- B18 Ba21 O54 Sn3 -","3","0.166667","","Lin, Yuan; Wang, Guan-E; Li, Lina; Hu, Chun-Li; Lin, Shisheng; Mao, Jiang-Gao","Rare-Earth-Free Barium Borostannate with Deep-Blue Light Emission","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00002","","","0.71073","MoKα","","0.0319","0.029","","","0.0689","0.0696","","","","","","1.195","","","","has coordinates","262080","2021-02-18","23:18:12",""
"4003868","8.5642","0.0017","11.884","0.002","14.312","0.003","65.92","0.03","73.01","0.03","83.76","0.03","1271.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H20 Br8 N8 Pb2 -","- C4 H20 Br8 N8 Pb2 -","- C8 H40 Br16 N16 Pb4 -","2","1","","Fateev, Sergey A.; Petrov, Andrey A.; Marchenko, Ekaterina I.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Aksenov, Sergey M.; Goodilin, Eugene A.; Tarasov, Alexey B.","FA2PbBr4: Synthesis, Structure, and Unusual Optical Properties of Two Polymorphs of Formamidinium-Based Layered (110) Hybrid Perovskite","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00382","","","0.80246","synchrotron","","0.1188","0.1115","","","0.2395","0.2434","","","","","","1.065","","","","has coordinates","262135","2021-02-22","23:16:02",""
"4003869","8.5642","0.0017","11.884","0.002","14.312","0.003","65.92","0.03","73.01","0.03","83.76","0.03","1271.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 Br8 N8 Pb2 -","- C4 Br8 N8 Pb2 -","- C8 Br16 N16 Pb4 -","2","1","","Fateev, Sergey A.; Petrov, Andrey A.; Marchenko, Ekaterina I.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Aksenov, Sergey M.; Goodilin, Eugene A.; Tarasov, Alexey B.","FA2PbBr4: Synthesis, Structure, and Unusual Optical Properties of Two Polymorphs of Formamidinium-Based Layered (110) Hybrid Perovskite","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00382","","x-ray","0.80246","synchrotron","","0.1677","0.162","","","0.3524","0.3545","","","","2.77","2.77","2.5","","","","has coordinates","262136","2021-02-22","23:16:28",""
"4003870","13.1313","0.0009","7.9763","0.0006","11.7972","0.0008","90","","91.4752","0.0015","90","","1235.22","0.15","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 Br4 N4 Pb -","- C2 H10 Br4 N4 Pb -","- C8 H40 Br16 N16 Pb4 -","4","1","","Fateev, Sergey A.; Petrov, Andrey A.; Marchenko, Ekaterina I.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Aksenov, Sergey M.; Goodilin, Eugene A.; Tarasov, Alexey B.","FA2PbBr4: Synthesis, Structure, and Unusual Optical Properties of Two Polymorphs of Formamidinium-Based Layered (110) Hybrid Perovskite","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00382","","","0.71073","MoKα","","0.0515","0.033","","","0.072","0.0785","","","","","","1.034","","","","has coordinates,has disorder","262137","2021-02-22","23:16:51",""
"4003871","4.0067","0.0002","3.9793","0.0002","6.112","0.0003","90","","90","","90","","97.449","0.008","295","2","295.15","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- Cu2.9 Te2 -","- Cu1.446 Te -","- Cu2.892 Te2 -","2","0.25","","Yahyaoglu, Mujde; Ozen, Melis; Prots, Yurii; El Hamouli, Oussama; Tshitoyan, Vahe; Ji, Huiwen; Burkhardt, Ulrich; Lenoir, Bertrand; Snyder, G. Jeffrey; Jain, Anubhav; Candolfi, Christophe; Aydemir, Umut","Phase-Transition-Enhanced Thermoelectric Transport in Rickardite Mineral Cu3‒xTe2","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04839","","","0.71073","MoKα","","0.024","0.024","","","0.059","0.06","","","","","","1.197","","","","has coordinates","262168","2021-02-23","23:20:37",""
"4003872","11.881","0.002","11.881","0.002","29.696","0.005","90","","90","","120","","3630.2","1.1","298.15","","298.15","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C0.8 H1.5 F0.09 N0.2 O2 Si -","- C0.8 H1.5 F0.088 N0.2 O2 Si -","- C48 H90 F5.28 N12 O120 Si60 -","60","5","","Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E.","Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04573","","","1.54178","CuKα","","0.0613","0.0571","","","0.1367","0.1391","","","","","","1.074","","","","has coordinates,has disorder","262240","2021-02-25","23:23:37",""
"4003873","11.9347","0.0018","11.9347","0.0018","29.53","0.004","90","","90","","120","","3642.6","0.9","298","","298","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H15 F0.89 N2 O20 Si10 -","- C8 H15 F0.893 N2 O20 Si10 -","- C48 H90 F5.358 N12 O120 Si60 -","6","0.5","","Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E.","Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04573","","","1.54178","CuKα","","0.0382","0.0347","","","0.0795","0.0807","","","","","","1.088","","","","has coordinates,has disorder","262241","2021-02-25","23:24:10",""
"4003874","18.6213","0.0004","4.872","0.0001","9.8741","0.0002","90","","90","","90","","895.81","0.03","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- F4 Mo O2 Sr -","- F4 Mo O2 Sr -","- F32 Mo8 O16 Sr8 -","8","2","","Jo, Hongil; Lee, Min Hyung; Ok, Kang Min","Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00074","","","0.71073","MoKα","","0.0315","0.0267","","","0.0536","0.0553","","","","","","1.006","","","","has coordinates","262242","2021-02-25","23:25:10",""
"4003875","19.436","0.0005","5.00774","0.00014","10.2481","0.0003","90","","90","","90","","997.45","0.05","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba F4 Mo O2 -","- Ba F4 Mo O2 -","- Ba8 F32 Mo8 O16 -","8","2","","Jo, Hongil; Lee, Min Hyung; Ok, Kang Min","Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00074","","","0.71073","MoKα","","0.0445","0.0438","","","0.111","0.1125","","","","","","1.05","","","","has coordinates","262242","2021-02-25","23:25:11",""
"4003876","19.0225","0.0005","4.9121","0.0001","9.9183","0.0003","90","","90","","90","","926.77","0.04","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- F4 Mo O2 Pb -","- F4 Mo O2 Pb -","- F32 Mo8 O16 Pb8 -","8","2","","Jo, Hongil; Lee, Min Hyung; Ok, Kang Min","Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00074","","","0.71073","MoKα","","0.0226","0.0207","","","0.0506","0.0516","","","","","","1.129","","","","has coordinates","262242","2021-02-25","23:25:11",""
"4003877","13.6603","0.0006","13.6603","0.0006","9.763","0.0005","90","","90","","120","","1577.74","0.13","300","2","299.93","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- B12 Se12 Sn3.88 Te3.53 -","- B12 Se12 Sn3.874 Te3.528 -","- B24 Se24 Sn7.748 Te7.056 -","2","0.166667","","Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G.","Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04503","","","1.54178","CuKα","","0.023","0.0215","","","0.0505","0.0508","","","","","","1.153","","","","has coordinates","262280","2021-02-26","23:26:46",""
"4003878","13.5927","0.0007","13.5927","0.0007","9.8167","0.0005","90","","90","","120","","1570.75","0.14","292.98","","292.98","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","","","- B12 Se15.8 Sn4 -","- B12 Se15.795 Sn4 -","- B24 Se31.59 Sn8 -","2","0.166667","","Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G.","Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04503","","","0.71073","MoKα","","0.019","0.0166","","","0.0372","0.0378","","","","","","1.048","","","","has coordinates","262281","2021-02-26","23:27:19",""
"4003879","11.8864","0.0007","11.9974","0.0007","13.1689","0.0008","91.86","0.001","96.886","0.001","97.367","0.001","1846.84","0.19","175","","175","","","","","","","","","7","P 1","P 1","1","","","","- C40 H46 Co2 Ge N8 O58 W12 -","- C40 H46 Co2 Ge N8 O58 W12 -","- C40 H46 Co2 Ge N8 O58 W12 -","1","1","","Chen, Bin; Huang, You-Ren; Song, Kai-Yue; Lin, Xiang-Ling; Li, Hao-Hong; Chen, Zhi-Rong","Molecular Nonvolatile Memory Based on [α-GeW12O40]4‒/Metalloviologen Hybrids Can Work at High Temperature Monitored by Chromism","Chemistry of Materials","2021","33","6","2178","2186","10.1021/acs.chemmater.1c00090","","","0.71073","MoKα","","0.0307","0.0298","","","0.0739","0.0744","","","","","","1.048","","","","has coordinates","263592","2021-04-04","10:00:32",""
"4003880","11.8584","0.0004","12.082","0.0006","13.0866","0.0005","92.367","0.004","96.922","0.003","98.281","0.004","1838.6","0.13","298","","298","","","","","","","","","7","P 1","P 1","1","","","","- C40 H44 Co2 Ge N8 O55 W12 -","- C40 H44 Co2 Ge N8 O55 W12 -","- C40 H44 Co2 Ge N8 O55 W12 -","1","1","","Chen, Bin; Huang, You-Ren; Song, Kai-Yue; Lin, Xiang-Ling; Li, Hao-Hong; Chen, Zhi-Rong","Molecular Nonvolatile Memory Based on [α-GeW12O40]4‒/Metalloviologen Hybrids Can Work at High Temperature Monitored by Chromism","Chemistry of Materials","2021","33","6","2178","2186","10.1021/acs.chemmater.1c00090","","x-ray","0.71073","MoKα","","0.0534","0.0393","","","0.0834","0.0881","","","","","","1.005","","","","has coordinates","263592","2021-04-04","10:00:32",""
"4003881","6.137","0.004","7.394","0.005","5.94","0.004","90","","90","","90","","269.5","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cl N Zn2 -","- Cl N Zn2 -","- Cl4 N4 Zn8 -","4","1","","Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning","Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials","Chemistry of Materials","2021","33","4","1462","1470","10.1021/acs.chemmater.0c04772","","","0.71073","MoKα","","0.0267","0.0253","","","0.0573","0.0578","","","","","","1.111","","","","has coordinates","262419","2021-03-03","23:21:51",""
"4003882","6.222","0.007","7.65","0.008","6.094","0.007","90","","90","","90","","290.1","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Br N Zn2 -","- Br N Zn2 -","- Br4 N4 Zn8 -","4","1","","Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning","Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials","Chemistry of Materials","2021","33","4","1462","1470","10.1021/acs.chemmater.0c04772","","","0.71073","MoKα","","0.0319","0.0302","","","0.066","0.0667","","","","","","1.016","","","","has coordinates","262420","2021-03-03","23:22:13",""
"4003883","10.5204","0.0008","6.0756","0.0004","9.953","0.0007","90","","90","","90","","636.17","0.08","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cl2 Li6 O4 Si -","- Cl2 Li6 O4 Si -","- Cl8 Li24 O16 Si4 -","4","1","","Morscher, Alexandra; Dyer, Matthew S.; Duff, Benjamin B.; Han, Guopeng; Gamon, Jacinthe; Daniels, Luke M.; Dang, Yun; Surta, T. Wesley; Robertson, Craig M.; Blanc, Frédéric; Claridge, John B.; Rosseinsky, Matthew J.","Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking","Chemistry of Materials","2021","33","6","2206","2217","10.1021/acs.chemmater.1c00157","","x-ray","0.71073","MoKα","","0.075","0.053","","","0.1189","0.1279","","","","","","1.11","","","","has coordinates","263594","2021-04-04","10:00:50",""
"4003884","15.465","0.005","7.409","0.002","13.518","0.004","90","","106.912","0.003","90","","1481.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N6 S4 -","- C32 H30 N6 S4 -","- C64 H60 N12 S8 -","2","0.5","","Iguchi, Keitaro; Mikie, Tsubasa; Saito, Masahiko; Komeyama, Kimihiro; Seo, Takuji; Ie, Yutaka; Osaka, Itaru","N-type Semiconducting Polymers Based on Dicyano Naphthobisthiadiazole: High Electron Mobility with Unfavorable Backbone Twist","Chemistry of Materials","2021","33","6","2218","2228","10.1021/acs.chemmater.1c00204","","","0.71073","MoKa","","0.0427","0.0335","","","0.0788","0.084","","","","","","0.962","","","","has coordinates","263593","2021-04-04","10:00:41",""
"4003885","4.6536","0.0005","16.9349","0.0016","18.5594","0.0018","108.705","0.001","94.538","0.001","97.258","0.001","1363.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N4 S4 -","- C30 H32 N4 S4 -","- C60 H64 N8 S8 -","2","1","","Iguchi, Keitaro; Mikie, Tsubasa; Saito, Masahiko; Komeyama, Kimihiro; Seo, Takuji; Ie, Yutaka; Osaka, Itaru","N-type Semiconducting Polymers Based on Dicyano Naphthobisthiadiazole: High Electron Mobility with Unfavorable Backbone Twist","Chemistry of Materials","2021","33","6","2218","2228","10.1021/acs.chemmater.1c00204","","","0.71073","MoKa","","0.0598","0.0385","","","0.0847","0.0939","","","","","","0.984","","","","has coordinates","263593","2021-04-04","10:00:41",""
"4003886","4.4815","0.0003","21.6649","0.0016","4.522","0.0003","90","","90","","90","","439.05","0.05","293","","293","","","","","","","","","4","P m n m :1","P 2ac 2ac -1ac","59","","","","- K La Mn0.65 Te4 -","- K La Mn0.65 Te4 -","- K2 La2 Mn1.3 Te8 -","2","0.25","","Bao, Jin-Ke; Malliakas, Christos D.; Zhang, Chi; Cai, Songting; Chen, Haijie; Rettie, Alexander J. E.; Fisher, Brandon L.; Chung, Duck Young; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Quasi-Two-Dimensional Heterostructures (KM1 ‒ xTe)(LaTe3) (M = Mn and Zn) with Charge Density Waves","Chemistry of Materials","2021","33","6","2155","2164","10.1021/acs.chemmater.0c04923","","x-ray","0.71075","MoKα","","0.0728","0.0535","","","0.1317","0.1341","","","","4.09","4.09","3.22","","","","has coordinates","263596","2021-04-04","10:01:10",""
"4003887","10.9694","0.0011","8.41","0.0008","16.0703","0.0016","90","","107.488","0.003","90","","1414","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Co5 N2 O24 S2 -","- C10 H28 Co5 N2 O24 S2 -","- C20 H56 Co10 N4 O48 S4 -","2","0.5","","Perez, Jem Valerie; Sorolla, Maurice; Wang, Xiqu; Jacobson, Allan J.","“Stagomé” Lattice: The Missing Member of the Star-Kagomé Family","Chemistry of Materials","2021","33","6","2173","2177","10.1021/acs.chemmater.1c00070","","","0.71073","MoKα","","0.0191","0.0174","","","0.044","0.0448","","","","","","1.051","","","","has coordinates","263595","2021-04-04","10:00:57",""
"4003888","8.018667","0.000016","8.018667","0.000016","3.934816","0.000014","90","","90","","120","","219.109","0.001","300","","300","","","","","","","","crystals grown from high temperature aluminium melt","3","P 6/m m m","-P 6 2","191","Barium Iron Aluminum","","","- Al9 Ba Fe2 -","- Al9 Ba Fe1.968 -","- Al9 Ba Fe1.968 -","1","0.0416667","","Meier, William R.; Chakoumakos, Bryan C.; Okamoto, Satoshi; McGuire, Michael A.; Hermann, Raphaël P.; Samolyuk, German D.; Gao, Shang; Zhang, Qiang; Stone, Matthew B.; Christianson, Andrew D.; Sales, Brian C.","A Catastrophic Charge Density Wave in BaFe2Al9","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00005","powder diffraction","neutron","","Neutron","","0.0119","0.0115","","0.0162","0.0158","","","","2.8013","","","","","","","has coordinates","263047","2021-03-15","23:19:19",""
"4003889","50.528","0.007","10.1868","0.0012","24.059","0.003","90","","113.034","0.002","90","","11396","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H65 N5 O2 S5 -","- C54 H65 N5 O2 S5 -","- C432 H520 N40 O16 S40 -","8","1","","Davies, Daniel William; Park, Sang Kyu; Kafle, Prapti; Chung, Hyunjoong; Yuan, Dafei; Strzalka, Joseph W.; Mannsfeld, Stefan C. B.; Wang, SuYin Grass; Chen, Yu-Sheng; Gray, Danielle L.; Zhu, Xiaozhang; Diao, Ying","Radically Tunable n-Type Organic Semiconductor via Polymorph Control","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04678","","","0.41328","synchrotron","","0.0848","0.0766","","","0.2374","0.2507","","","","","","1.046","","","","has coordinates,has disorder","263188","2021-03-19","23:14:31",""
"4003890","12.0736","0.0004","6.3321","0.0002","12.1366","0.0003","90","","101.905","0.003","90","","907.9","0.05","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cl6 Rb Sb -","- Cl6 Rb Sb -","- Cl24 Rb4 Sb4 -","4","0.5","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","x-ray","0.71073","MoKα","","0.0397","0.0347","","","0.0907","0.0954","","","","","","1.043","","","","has coordinates","263261","2021-03-23","23:17:33",""
"4003891","12.9567","0.0001","12.9567","0.0001","111.713","0.0014","90","","90","","120","","16241.4","0.3","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Bi2.5 Cl54 Rb23 Sb6.5 -","- Bi2.4955 Cl53.9991 Rb22.9997 Sb6.5045 -","- Bi14.973 Cl323.995 Rb137.998 Sb39.027 -","6","0.333333","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","x-ray","0.71073","MoKα","","0.0808","0.0582","","","0.1029","0.1111","","","","","","1.095","","","","has coordinates,has disorder","263262","2021-03-23","23:18:12",""
"4003892","22.3435","0.0007","12.9057","0.0004","37.0625","0.0013","90","","90","","90","","10687.3","0.6","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cl54 Rb23 Sb9 -","- Cl54 Rb23 Sb9 -","- Cl216 Rb92 Sb36 -","4","0.25","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","","0.71073","MoKα","","0.1521","0.1322","","","0.3133","0.3279","","","","","","1.191","","","","has coordinates","263263","2021-03-23","23:18:41",""
"4003893","14.0332","0.0006","10.1091","0.0004","7.2292","0.0003","90","","90","","90","","1025.56","0.07","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl5 O Rb2 Sb -","- Cl5 O Rb2 Sb -","- Cl20 O4 Rb8 Sb4 -","4","0.5","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","x-ray","0.71073","MoKα","","0.0443","0.0389","","","0.0896","0.093","","","","","","1.171","","","","has coordinates","263264","2021-03-23","23:19:02",""
"4003894","12.9752","0.0006","12.9752","0.0006","112.438","0.007","90","","90","","120","","16393.5","1.5","298","","298","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Bi6.62 Cl54 Rb23 Sb2.38 -","- Bi6.623 Cl53.9991 Rb22.9997 Sb2.377 -","- Bi39.738 Cl323.995 Rb137.998 Sb14.262 -","6","0.333333","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","","0.71073","MoKα","","0.1204","0.0864","","","0.2231","0.2438","","","","","","1.072","","","","has coordinates,has disorder","263265","2021-03-23","23:19:36",""
"4003895","17.3681","0.001","6.0644","0.0003","5.9834","0.0003","90","","90","","90","","630.21","0.06","100","0.3","100","0.3","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C2 H14 Br4 N4 Pb -","- C2 H14 Br4 N4 Pb -","- C4 H28 Br8 N8 Pb2 -","2","0.5","","Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam","[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04440","","x-ray","0.71073","MoKα","","0.0258","0.0254","","","0.0651","0.0654","","","","","","1.09","","","","has coordinates","263496","2021-03-31","22:28:33",""
"4003896","17.8177","0.001","6.0555","0.0003","6.0155","0.0003","90","","90","","90","","649.04","0.06","300.1","0.2","300.1","0.2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C2 H14 Br4 N4 Pb -","- C2 H14 Br4 N4 Pb -","- C4 H28 Br8 N8 Pb2 -","2","0.5","","Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam","[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04440","","x-ray","0.71073","MoKα","","0.032","0.028","","","0.0628","0.0644","","","","","","1.022","","","","has coordinates","263497","2021-03-31","22:28:50",""
"4003897","18.1597","0.0012","6.0526","0.0003","6.0368","0.0003","90","","90","","90","","663.53","0.06","380.1","0.2","380.1","0.2","","","","","","","","5","P m n m :2","-P 2c 2a","59","","","","- C2 H14 Br4 N4 Pb -","- C2 H10 Br4 N4 Pb -","- C4 H20 Br8 N8 Pb2 -","2","0.25","","Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam","[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04440","","x-ray","0.71073","MoKα","","0.0448","0.0396","","","0.1025","0.1053","","","","","","1.145","","","","has coordinates","263498","2021-03-31","22:29:13",""
"4003898","18.0557","0.0012","6.0554","0.0003","6.0295","0.0003","90","","90","","90","","659.23","0.06","360.2","0.3","360.2","0.3","","","","","","","","5","P m n m :2","-P 2c 2a","59","","","","- C2 H14 Br4 N4 Pb -","- C2 H10 Br4 N4 Pb -","- C4 H20 Br8 N8 Pb2 -","2","0.25","","Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam","[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04440","","x-ray","0.71073","MoKα","","0.0487","0.0455","","","0.1335","0.1362","","","","","","1.179","","","","has coordinates","263499","2021-03-31","22:29:34",""
"4003899","5.8392","0.0003","5.8392","0.0003","14.5176","0.0008","90","","90","","120","","428.68","0.04","299","2","299","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Co4 K2 O22 V9 -","- Co4 K2 O22 V9 -","- Co4 K2 O22 V9 -","1","0.0833333","","Smart, Megan M.; Smith Pellizzeri, Tiffany M.; Morrison, Gregory; McMillen, Colin D.; zur Loye, Hans-Conrad; Kolis, Joseph W.","Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22 and K2Co4V9O22 Hexaferrites","Chemistry of Materials","2021","33","7","2258","2266","10.1021/acs.chemmater.0c03852","","","0.71073","MoKα","","0.0215","0.0213","","","0.0601","0.0602","","","","","","1.215","","","","has coordinates","264820","2021-05-04","00:49:29",""
"4003900","5.8532","0.0003","5.8532","0.0003","14.2601","0.0007","90","","90","","120","","423.1","0.04","300","2","300","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba2 Fe11 Ge2 O22 -","- Ba2 Fe11 Ge2 O22 -","- Ba2 Fe11 Ge2 O22 -","1","0.0833333","","Smart, Megan M.; Smith Pellizzeri, Tiffany M.; Morrison, Gregory; McMillen, Colin D.; zur Loye, Hans-Conrad; Kolis, Joseph W.","Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22 and K2Co4V9O22 Hexaferrites","Chemistry of Materials","2021","33","7","2258","2266","10.1021/acs.chemmater.0c03852","","","0.71073","MoKα","","0.0264","0.0261","","","0.0818","0.0819","","","","","","1.191","","","","has coordinates","264820","2021-05-04","00:49:29",""
"4003901","4.3706","0.0002","4.3706","0.0002","9.2475","0.0007","90","","90","","90","","176.647","0.018","100","1","100","1","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Gadolinium bismutide telluride","","- Bi Gd Te -","- Bi Gd Te -","- Bi2 Gd2 Te2 -","2","0.125","","Gebauer, Paul; Poddig, Hagen; Corredor-Bohorquez, Laura T.; Menshchikova, Tatiana V.; Rusinov, Igor P.; Golub, Pavlo; Caglieris, Federico; Benndorf, Christopher; Lindemann, Tobias; Chulkov, Evgueni V.; Wolter, Anja U. B.; Büchner, Bernd; Doert, Thomas; Isaeva, Anna","Heavy-Atom Antiferromagnet GdBiTe: An Interplay of Magnetism and Topology in a Symmetry-Protected Topological Semimetal","Chemistry of Materials","2021","33","7","2420","2435","10.1021/acs.chemmater.0c04649","","","0.71073","MoKα","","0.0158","0.0149","","","0.0323","0.0324","","","","","","1.106","","","","has coordinates","264819","2021-05-04","00:49:18",""
"4003902","11.8656","0.0006","11.8656","0.0006","11.8656","0.0006","90","","90","","90","","1670.59","0.15","120","2","120","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.8 P4 -","- Ga Li8.8005 P4 -","- Ga8 Li70.404 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0597","0.0249","","","0.0404","0.0487","","","","","","1.134","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003903","11.8804","0.0006","11.8804","0.0006","11.8804","0.0006","90","","90","","90","","1676.85","0.15","200","2","200","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.85 P4 -","- Ga Li8.8505 P4 -","- Ga8 Li70.804 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0665","0.0277","","","0.046","0.0558","","","","","","1.111","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003904","11.8624","0.0006","11.8624","0.0006","11.8624","0.0006","90","","90","","90","","1669.24","0.15","95","2","95","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.8 P4 -","- Ga Li8.7995 P4 -","- Ga8 Li70.396 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.06","0.0256","","","0.0464","0.0563","","","","","","1.142","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003905","11.9053","0.0007","11.9053","0.0007","11.9053","0.0007","90","","90","","90","","1687.41","0.17","293","2","293","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.6 P4 -","- Ga Li8.595 P4 -","- Ga8 Li68.76 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0816","0.0307","","","0.0513","0.0662","","","","","","1.096","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003906","11.8704","0.0006","11.8704","0.0006","11.8704","0.0006","90","","90","","90","","1672.62","0.15","150","2","150","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.84 P4 -","- Ga Li8.8375 P4 -","- Ga8 Li70.7 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0627","0.0253","","","0.0435","0.0532","","","","","","1.132","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003907","11.8907","0.0006","11.8907","0.0006","11.8907","0.0006","90","","90","","90","","1681.21","0.15","250","2","250","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.81 P4 -","- Ga Li8.813 P4 -","- Ga8 Li70.504 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0727","0.0285","","","0.0459","0.0566","","","","","","1.119","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003908","11.9232","0.0014","11.9232","","16.931","0.002","90","","90","","90","","2407","0.4","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ca10.48 Mn1.09 Sb9 -","- Ca10.475 Mn1.076 Sb9 -","- Ca41.9 Mn4.304 Sb36 -","4","0.25","","Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen","Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04940","","","0.71073","MoKα","","0.0437","0.0323","","","0.0642","0.0672","","","","","","1.018","","","","has coordinates","263919","2021-04-06","22:29:39",""
"4003909","11.9235","0.0019","11.9235","","17.186","0.003","90","","90","","90","","2443.3","0.6","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ca11.01 In0.35 Sb9 -","- Ca11.009 In0.354 Sb9 -","- Ca44.036 In1.416 Sb36 -","4","0.25","","Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen","Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04940","","","0.71073","MoKα","","0.0615","0.0417","","","0.0826","0.0895","","","","","","1.032","","","","has coordinates","263919","2021-04-06","22:29:40",""
"4003910","11.877","0.004","11.877","","17.239","0.006","90","","90","","90","","2431.8","1.2","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ca10.91 Sb9 Zn0.56 -","- Ca10.913 Sb9 Zn0.562 -","- Ca43.652 Sb36 Zn2.248 -","4","0.25","","Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen","Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04940","","","0.71073","MoKα","","0.0754","0.0449","","","0.0873","0.0977","","","","","","1.019","","","","has coordinates","263919","2021-04-06","22:29:40",""
"4003911","11.8911","0.0004","11.8911","","17.1962","0.0006","90","","90","","90","","2431.51","0.12","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ca10.91 Ga0.38 Sb9 -","- Ca10.9151 Ga0.3759 Sb9 -","- Ca43.6604 Ga1.5036 Sb36 -","4","0.25","","Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen","Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04940","","","0.71073","MoKα","","0.0217","0.0206","","","0.0432","0.0435","","","","","","1.211","","","","has coordinates","263919","2021-04-06","22:29:40",""
"4003912","11.8295","0.0018","11.8295","","17.246","0.003","90","","90","","90","","2413.4","0.6","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ca10.82 Sb9 Zn0.66 -","- Ca10.818 Sb9 Zn0.657 -","- Ca43.272 Sb36 Zn2.628 -","4","0.25","","Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen","Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04940","","","0.71073","MoKα","","0.0472","0.0344","","","0.0678","0.072","","","","","","1.022","","","","has coordinates","263919","2021-04-06","22:29:40",""
"4003913","33.4671","0.0002","33.4671","0.0002","21.4175","0.0002","90","","90","","90","","23988.6","0.3","296","2","296","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C126 H102 Co7 O30 -","- C126 H102 Co7 O30 -","- C1008 H816 Co56 O240 -","8","0.5","","Kang, Jaeun; Lee, Myung Jun; Oh, Nam Gue; Shin, Jiehye; Kwon, Seong Jung; Chun, Hyungphil; Kim, Seung-Joo; Yun, Hoseop; Jo, Hongil; Ok, Kang Min; Do, Junghwan","I3O0-Type 3D Framework of Cobalt Cinnamate and Its Efficient Electrocatalytic Activity toward the Oxygen Evolution Reaction","Chemistry of Materials","2021","33","8","2804","2813","10.1021/acs.chemmater.0c04785","","","0.71073","MoKα","","0.0395","0.0291","","","0.0574","0.0611","","","","","","1.024","","","","has coordinates,has disorder","264818","2021-05-04","00:49:06",""
"4003914","23.4935","0.001","23.4935","0.001","10.6077","0.0007","90","","90","","120","","5070.5","0.5","333","","333","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H16 N O4 Re -","- C8 H16 N O4 Re -","- C144 H288 N18 O72 Re18 -","18","1","","Xie, Yongfa; Zheng, Jingjing; Zheng, Kuangqi; Liu, Qing; Duan, Jie; Chen, Wei; Shao, Shuke; Cai, Hu","High-Temperature Switchable Nonlinear Optical and Dielectric Material Revealed by Molecular Modification","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04220","","","0.71073","MoKα","","0.0868","0.0696","","","0.1844","0.197","","","","","","1.111","","","","has coordinates,has disorder","264488","2021-04-23","22:26:59",""
"4003915","6.2799","0.0004","9.0158","0.0005","8.7582","0.0006","90","","92.448","0.006","90","","495.42","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H14 N O4 Re -","- C7 H14 N O4 Re -","- C14 H28 N2 O8 Re2 -","2","1","","Xie, Yongfa; Zheng, Jingjing; Zheng, Kuangqi; Liu, Qing; Duan, Jie; Chen, Wei; Shao, Shuke; Cai, Hu","High-Temperature Switchable Nonlinear Optical and Dielectric Material Revealed by Molecular Modification","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04220","","","0.71073","MoKα","","0.0424","0.0348","","","0.0643","0.0662","","","","","","0.943","","","","has coordinates","264489","2021-04-23","22:27:23",""
"4003916","23.5948","0.0005","23.5948","0.0005","10.6826","0.0003","90","","90","","120","","5150.4","0.2","300","","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H16 N O4 Re -","- C8 H16 N O4 Re -","- C144 H288 N18 O72 Re18 -","18","1","","Xie, Yongfa; Zheng, Jingjing; Zheng, Kuangqi; Liu, Qing; Duan, Jie; Chen, Wei; Shao, Shuke; Cai, Hu","High-Temperature Switchable Nonlinear Optical and Dielectric Material Revealed by Molecular Modification","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04220","","","0.71073","MoKα","","0.0983","0.0743","","","0.205","0.2213","","","","","","1.019","","","","has coordinates","264490","2021-04-23","22:27:46",""
"4003917","8.0451","0.0008","6.8485","0.0005","11.7325","0.001","90","","90","","90","","646.42","0.1","100.01","0.15","100.01","0.15","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ce F2 I2 O6 -","- Ce F2 I2 O6 -","- Ce4 F8 I8 O24 -","4","1","","Zhang, Xiao-Han; Yang, Bing-Ping; Hu, Chun-Li; Chen, Jin; Huang, Qian-Ming; Mao, Jiang-Gao","A New Anhydrous Polar Rare-Earth Iodate Fluoride, Ce(IO3)2F2, Exhibiting a Large Second-Harmonic-Generation Effect and Improved Overall Performance","Chemistry of Materials","2021","33","8","2894","2900","10.1021/acs.chemmater.1c00222","","x-ray","0.71073","MoKα","","0.0306","0.0291","","","0.0632","0.0644","","","","","","1.046","","","","has coordinates","264803","2021-05-03","20:59:35",""
"4003918","9.9594","0.0003","15.4166","0.0005","17.047","0.0005","108.972","0.001","92.537","0.001","101.518","0.001","2408.47","0.13","238","2","238","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H57 N5 O2 S -","- C58 H57 N5 O2 S -","- C116 H114 N10 O4 S2 -","2","1","","Zhang, Di; Chen, Weilong; Zou, Jie; Luo, Jingdong","Critical Role of Non-classical Intermolecular Hydrogen Bonding in Affecting the π‒π Stacking and Nonlinear Optical Properties of Tricyanofuran-Based Push‒Pull Heptamethines","Chemistry of Materials","2021","33","10","3702","3711","10.1021/acs.chemmater.1c00704","","","1.54178","CuKα","","0.0555","0.0502","","","0.1393","0.1447","","","","","","1.04","","","","has coordinates,has disorder","265753","2021-06-04","00:59:24",""
"4003919","9.0868","0.0002","20.4276","0.0005","20.6493","0.0005","90","","99.422","0.001","90","","3781.25","0.15","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Cl N4 O -","- C43 H47 Cl N4 O -","- C172 H188 Cl4 N16 O4 -","4","1","","Zhang, Di; Chen, Weilong; Zou, Jie; Luo, Jingdong","Critical Role of Non-classical Intermolecular Hydrogen Bonding in Affecting the π‒π Stacking and Nonlinear Optical Properties of Tricyanofuran-Based Push‒Pull Heptamethines","Chemistry of Materials","2021","33","10","3702","3711","10.1021/acs.chemmater.1c00704","","","1.54178","CuKα","","0.0871","0.0798","","","0.2483","0.2584","","","","","","1.039","","","","has coordinates,has disorder","265753","2021-06-04","00:59:25",""
"4003920","8.1305","0.0002","19.48","0.0005","9.0508","0.0002","90","","91.955","0.002","90","","1432.65","0.06","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","KSb5S8","","","- K2 S16 Sb10 -","- K2 S16 Sb10 -","- K4 S32 Sb20 -","2","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0194","0.019","","","0.0458","0.0459","","","","","","1.008","","","","has coordinates","265754","2021-06-04","00:59:32",""
"4003921","11.7811","0.0003","8.8645","0.0002","15.8103","0.0004","90","","104.688","0.003","90","","1597.17","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","CsSb5S8","","","- Cs S8 Sb5 -","- Cs S8 Sb5 -","- Cs4 S32 Sb20 -","4","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0182","0.0164","","","0.0376","0.0382","","","","","","1.044","","","","has coordinates","265754","2021-06-04","00:59:33",""
"4003922","8.177","0.0002","19.5619","0.0004","9.0795","0.0002","90","","91.822","0.002","90","","1451.6","0.06","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","RbSb5S8","","","- Rb2 S16 Sb10 -","- Rb2 S16 Sb10 -","- Rb4 S32 Sb20 -","2","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0299","0.0291","","","0.0813","0.0817","","","","","","1.242","","","","has coordinates","265754","2021-06-04","00:59:33",""
"4003923","12.6699","0.0004","14.697","0.0005","15.4203","0.0004","90","","105.049","0.001","90","","2772.93","0.15","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0757","0.0531","","","0.131","0.1504","","","","","","1.034","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003924","12.6772","0.0004","14.7185","0.0005","15.4396","0.0004","90","","105.02","0.001","90","","2782.44","0.15","182","","182","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0776","0.0539","","","0.1472","0.1724","","","","","","1.09","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003925","12.6812","0.001","14.7163","0.0014","15.4524","0.0013","90","","105.016","0.003","90","","2785.3","0.4","182","","182","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0873","0.0582","","","0.154","0.1804","","","","","","1.034","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003926","12.6971","0.0004","14.7532","0.0005","15.4751","0.0005","90","","104.918","0.001","90","","2801.14","0.16","240","","240","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0866","0.056","","","0.1482","0.1767","","","","","","1.034","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003927","12.7099","0.0004","14.7709","0.0005","15.4936","0.0005","90","","104.863","0.001","90","","2811.4","0.16","269","","269","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0918","0.0564","","","0.1431","0.1749","","","","","","1.036","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003928","12.7322","0.0011","14.7905","0.0014","15.5123","0.0013","90","","104.838","0.003","90","","2823.8","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.1112","0.0624","","","0.156","0.1951","","","","","","1.032","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003929","13.2147","0.0003","18.6251","0.0004","12.0513","0.0003","90","","108.779","0.001","90","","2808.23","0.11","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0649","0.0503","","","0.1511","0.1692","","","","","","0.96","","","","has coordinates","265193","2021-05-13","22:34:30",""
"4003930","13.2237","0.0004","18.6466","0.0005","12.0838","0.0003","90","","108.798","0.001","90","","2820.66","0.13","182","","182","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0793","0.0554","","","0.1603","0.1858","","","","","","0.981","","","","has coordinates","265193","2021-05-13","22:34:30",""
"4003931","13.2291","0.0005","18.6767","0.0005","12.1208","0.0003","90","","108.813","0.001","90","","2834.77","0.15","211","","211","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0883","0.0612","","","0.1726","0.1996","","","","","","1.021","","","","has coordinates","265193","2021-05-13","22:34:30",""
"4003932","13.2331","0.0007","18.7113","0.0011","12.1558","0.0005","90","","108.835","0.002","90","","2848.7","0.3","240","","240","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.1007","0.0651","","","0.1818","0.2281","","","","","","1.071","","","","has coordinates","265193","2021-05-13","22:34:30",""
"4003933","13.2342","0.0004","18.7535","0.0005","12.1948","0.0003","90","","108.868","0.001","90","","2863.97","0.14","269","","269","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.1003","0.0672","","","0.1856","0.2166","","","","","","1.037","","","","has coordinates","265193","2021-05-13","22:34:30",""
"4003934","13.2333","0.0009","18.7979","0.0013","12.2259","0.0011","90","","108.826","0.003","90","","2878.6","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0931","0.0565","","","0.1381","0.1641","","","","","","1.029","","","","has coordinates,has disorder","265193","2021-05-13","22:34:30",""
"4003935","10.2757","0.0005","10.2757","0.0005","44.5409","0.0017","90","","90","","120","","4073","0.3","153","","153","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0618","0.0432","","","0.0818","0.0918","","","","","","1.067","","","","has coordinates","265194","2021-05-13","22:35:20",""
"4003936","10.2919","0.0005","10.2919","0.0005","44.5234","0.0018","90","","90","","120","","4084.2","0.3","182","","182","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0655","0.0421","","","0.0818","0.0953","","","","","","1.033","","","","has coordinates","265194","2021-05-13","22:35:20",""
"4003937","10.3118","0.0005","10.3118","0.0005","44.4991","0.0018","90","","90","","120","","4097.8","0.3","211","","211","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0722","0.0457","","","0.0857","0.1003","","","","","","1.062","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003938","10.3327","0.0005","10.3327","0.0005","44.479","0.002","90","","90","","120","","4112.6","0.3","240","","240","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0782","0.0467","","","0.0865","0.1022","","","","","","1.062","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003939","10.3565","0.0005","10.3565","0.0005","44.4604","0.0019","90","","90","","120","","4129.8","0.3","269","","269","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0869","0.0489","","","0.0928","0.1119","","","","","","1.062","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003940","10.3834","0.0016","10.3834","0.0016","44.399","0.006","90","","90","","120","","4145.6","1.1","298","2","298","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0963","0.0494","","","0.1008","0.1286","","","","","","1.065","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003941","11.055","0.002","22.912","0.005","24.914","0.005","90","","90","","90","","6311","2","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- O232 Si116 -","- O232 Si116 -","- O232 Si116 -","1","0.0625","","Cho, Jung; Yun, Yifeng; Xu, Hongyi; Sun, Junliang; Burton, Allen W.; Strohmaier, Karl G.; Terefenko, Gene; Vroman, Hilda; Afeworki, Mobae; Cao, Guang; Wang, Hao; Zou, Xiaodong; Willhammar, Tom","EMM-25: The Structure of Two-Dimensional 11 ×10 Medium-Pore Borosilicate Zeolite Unraveled Using 3D Electron Diffraction","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00892","","","0.02508","electron","","0.2133","0.1938","","","0.4486","0.4635","","","","","","1.685","","","","has coordinates","265313","2021-05-18","22:21:33",""
"4003942","11.036236","0.000035","22.98504","0.00017","24.80596","0.00012","90","","90","","90","","6292.49","0.06","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- N0.52 O35.5 Si14.4 -","- N0.52 O35.5 Si14.4 -","- N4.16 O284 Si115.2 -","8","0.5","","Cho, Jung; Yun, Yifeng; Xu, Hongyi; Sun, Junliang; Burton, Allen W.; Strohmaier, Karl G.; Terefenko, Gene; Vroman, Hilda; Afeworki, Mobae; Cao, Guang; Wang, Hao; Zou, Xiaodong; Willhammar, Tom","EMM-25: The Structure of Two-Dimensional 11 ×10 Medium-Pore Borosilicate Zeolite Unraveled Using 3D Electron Diffraction","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00892","powder diffraction","","","","","","","","","","","","","0.72","","","","","","","has coordinates","265314","2021-05-18","22:22:01",""
"4003943","11.055","0.002","22.912","0.005","24.914","0.005","90","","90","","90","","6311","2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C52 N4 O232 Si116 -","- C52 N4 O232 Si116 -","- C52 N4 O232 Si116 -","1","0.0625","","Cho, Jung; Yun, Yifeng; Xu, Hongyi; Sun, Junliang; Burton, Allen W.; Strohmaier, Karl G.; Terefenko, Gene; Vroman, Hilda; Afeworki, Mobae; Cao, Guang; Wang, Hao; Zou, Xiaodong; Willhammar, Tom","EMM-25: The Structure of Two-Dimensional 11 ×10 Medium-Pore Borosilicate Zeolite Unraveled Using 3D Electron Diffraction","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00892","","","0.02508","electron","","0.2375","0.2017","","","0.4364","0.4636","","","","","","1.38","","","","has coordinates","265315","2021-05-18","22:22:23",""
"4003944","21.732","0.008","4.0928","0.0015","12.323","0.003","90","0.03","100.92","0.03","90","0.03","1076.2","0.6","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- As6 Cd2 La3 -","- As6 Cd2 La3 -","- As24 Cd8 La12 -","4","0.5","","Piva, Mario M.; Rahn, Marein C.; Thomas, Sean M.; Scott, Brian L.; Pagliuso, Pascoal G.; Thompson, Joe D.; Schoop, Leslie M.; Ronning, Filip; Rosa, Priscila F. S.","Robust Narrow-Gap Semiconducting Behavior in Square-Net La3Cd2As6","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00797","","x-ray","0.71073","MoKα","","0.2586","0.0851","","","0.0987","0.1031","","","","4.24","4.24","2.3","","","","has coordinates","265316","2021-05-18","22:22:43",""
"4003945","21.621","0.009","4.0634","0.0014","12.224","0.002","90","0.02","100.84","0.02","90","0.03","1054.8","0.6","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- As6 Cd2 Ce3 -","- As6 Cd2 Ce3 -","- As24 Cd8 Ce12 -","4","0.5","","Piva, Mario M.; Rahn, Marein C.; Thomas, Sean M.; Scott, Brian L.; Pagliuso, Pascoal G.; Thompson, Joe D.; Schoop, Leslie M.; Ronning, Filip; Rosa, Priscila F. S.","Robust Narrow-Gap Semiconducting Behavior in Square-Net La3Cd2As6","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00797","","x-ray","0.71073","MoKα","","0.2601","0.0671","","","0.0854","0.0885","","","","3.61","3.61","1.7","","","","has coordinates","265317","2021-05-18","22:23:08",""
"4003946","8.9649","0.0001","23.2894","0.0001","14.0591","0.0001","90","","107.609","0.001","90","","2797.82","0.04","295.53","0.11","295.53","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 I10 N4 O8 Pb3 -","- C28 H56 I10 N4 O8 Pb3 -","- C56 H112 I20 N8 O16 Pb6 -","2","1","","Zhang, Wenhao; Zhang, Weihua; Wang, Kai; Chu, Yanmeng; Du, Jiankang; Mei, Anyi; Rong, Yaoguang; Hu, Yue; Han, Hongwei","Revealing the Role of Bifunctional Molecules in Crystallizing Methylammonium Lead Iodide through Geometric Isomers","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00391","","x-ray","1.54184","CuKα","","0.0303","0.029","","","0.0732","0.0739","","","","","","1.007","","","","has coordinates","265318","2021-05-18","22:23:54",""
"4003947","35.928","0.0017","9.1976","0.0004","8.6505","0.0004","90","","102.027","0.004","90","","2795.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 I4 N2 O4 Pb -","- C14 H28 I4 N2 O4 Pb -","- C56 H112 I16 N8 O16 Pb4 -","4","0.5","","Zhang, Wenhao; Zhang, Weihua; Wang, Kai; Chu, Yanmeng; Du, Jiankang; Mei, Anyi; Rong, Yaoguang; Hu, Yue; Han, Hongwei","Revealing the Role of Bifunctional Molecules in Crystallizing Methylammonium Lead Iodide through Geometric Isomers","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00391","","","1.54178","CuKα","","0.0426","0.0363","","","0.101","0.1034","","","","","","1.12","","","","has coordinates","265319","2021-05-18","22:24:16",""
"4003948","9.0834","0.0014","9.0834","0.0014","6.6139","0.0011","90","","90","","120","","472.59","0.13","301","2","301","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- B6 K5 La3 Mg2 O18 -","- B6 K5 La3 Mg2 O18 -","- B6 K5 La3 Mg2 O18 -","1","0.166667","","Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01274","","","0.71073","MoKα","","0.0161","0.0159","","","0.0348","0.0349","","","","","","1.04","","","","has coordinates","265436","2021-05-21","22:20:59",""
"4003949","5.7137","0.0005","8.0567","0.0005","5.7209","0.0005","90","","90","","90","","263.35","0.04","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ce4 N6.04 Nb3.9 O5.96 -","- Ce3.99968 N6.04 Nb3.9 O5.96 -","- Ce3.99968 N6.04 Nb3.9 O5.96 -","1","0.125","","Shen, Zonghao; Wu, Ji; Shorvon, Matthew W.; Cazaux, Guillaume; Parker, Stephen C.; Skinner, Stephen J.","Partially Anion-Ordered Cerium Niobium Oxynitride Perovskite Phase with a Small Band Gap","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00631","powder diffraction","","","","","","","","","","","","","1.47","","","","","","","has coordinates","265437","2021-05-21","22:21:18",""
"4003950","11.4661","0.0005","11.5138","0.0005","17.0237","0.0008","106.614","0.0016","99.6956","0.0016","90.0802","0.0016","2119.93","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Ag Bi Br8 N4 -","- C32 H48 Ag Bi Br8 N4 -","- C64 H96 Ag2 Bi2 Br16 N8 -","2","1","","Schmitz, Fabian; Horn, Jonas; Dengo, Nicola; Sedykh, Alexander E.; Becker, Jonathan; Maiworm, Elena; Bélteky, Péter; Kukovecz, Ákos; Gross, Silvia; Lamberti, Francesco; Müller-Buschbaum, Klaus; Schlettwein, Derck; Meggiolaro, Daniele; Righetto, Marcello; Gatti, Teresa","Large Cation Engineering in Two-Dimensional Silver‒Bismuth Bromide Double Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01182","","","0.71073","MoKα","","0.0745","0.0548","","","0.1013","0.108","","","","","","1.122","","","","has coordinates,has disorder","265596","2021-05-28","22:38:54",""
"4003951","4.1746","0.0001","9.3604","0.0002","32.3368","0.0009","90","","92.283","0.001","90","","1262.59","0.05","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br2 F2 N2 Pb -","- C26 H20 Br2 F2 N2 Pb -","- C52 H40 Br4 F4 N4 Pb2 -","2","0.5","","Rath, Bibhuti Bhusan; Vittal, Jagadese J.","Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer","Chemistry of Materials","2021","33","12","4621","4627","10.1021/acs.chemmater.1c01124","","","0.71073","MoKα","","0.0342","0.0294","","","0.0822","0.0841","","","","","","1.226","","","","has coordinates","266968","2021-07-04","01:42:34",""
"4003952","4.1022","0.0002","9.3957","0.0005","31.6556","0.0015","90","","90.237","0.002","90","","1220.09","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br2 F2 N2 Pb -","- C26 H20 Br2 F2 N2 Pb -","- C52 H40 Br4 F4 N4 Pb2 -","2","0.5","","Rath, Bibhuti Bhusan; Vittal, Jagadese J.","Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer","Chemistry of Materials","2021","33","12","4621","4627","10.1021/acs.chemmater.1c01124","","","0.71073","MoKα","","0.0594","0.0587","","","0.1866","0.187","","","","","","1.255","","","","has coordinates","266968","2021-07-04","01:42:39",""
"4003953","35.201","0.003","3.6649","0.0003","9.9848","0.0009","90","","91.863","0.002","90","","1287.44","0.19","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- As Cs0.11 Si0.95 Zn0.05 -","- As Cs0.109333 Si0.951 Zn0.049 -","- As24 Cs2.624 Si22.824 Zn1.176 -","24","3","","Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill","Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations","Chemistry of Materials","2021","33","12","4586","4595","10.1021/acs.chemmater.1c01053","","","0.71073","MoKα","","0.0619","0.0392","","","0.0619","0.0662","","","","","","1.117","","","","has coordinates","266967","2021-07-04","01:41:49",""
"4003954","10.0496","0.0006","3.7429","0.0002","15.3975","0.0008","90","","93.929","0.002","90","","577.81","0.06","100","2","100","2","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- As7 Ge4.93 Li1.07 -","- As7 Ge4.923 Li1.077 -","- As14 Ge9.846 Li2.154 -","2","0.5","","Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill","Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations","Chemistry of Materials","2021","33","12","4586","4595","10.1021/acs.chemmater.1c01053","","","0.71073","MoKα","","0.0364","0.0267","","","0.0589","0.0616","","","","","","1.1","","","","has coordinates","266967","2021-07-04","01:41:54",""
"4003955","21.56","","5.89","","22.24","","90","","93.8","","90","","2818.01","","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 B2 N2 -","- C168 H104 B8 N8 -","- C168 H104 B8 N8 -","1","0.125","","Sakamaki, Takumi; Nakamuro, Takayuki; Yamashita, Keitaro; Hirata, Kunio; Shang, Rui; Nakamura, Eiichi","B2N2-Doped Dibenzo[a,m]Rubicene: Modular Synthesis, Properties, and Coordination-Induced Color Tunability","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01441","","","0.7","","","0.0547","0.0465","","","0.1242","0.1288","","","","","","1.05","","","","has coordinates","266499","2021-06-16","22:37:44",""
"4003956","20.69","","6.2","","22","","90","","92.09","","90","","2820.24","","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 -","- C184 H104 -","- C184 H104 -","1","0.125","","Sakamaki, Takumi; Nakamuro, Takayuki; Yamashita, Keitaro; Hirata, Kunio; Shang, Rui; Nakamura, Eiichi","B2N2-Doped Dibenzo[a,m]Rubicene: Modular Synthesis, Properties, and Coordination-Induced Color Tunability","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01441","","","0.7","","","0.0574","0.0552","","","0.1409","0.1429","","","","","","1.059","","","","has coordinates","266500","2021-06-16","22:38:12",""
"4003957","12.2153","0.0006","10.4656","0.0004","7.856","0.0004","90","","90","","90","","1004.31","0.08","290","2","290","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Cs2 F5 I Mo O4 -","- Cs2 F5 I Mo O4 -","- Cs8 F20 I4 Mo4 O16 -","4","0.5","","Hu, Yilei; Jiang, Xingxing; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Humphrey, Mark G.; Zhang, Chi","A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01434","","","0.71073","MoKα","","0.0265","0.0254","","","0.072","0.0907","","","","","","0.807","","","","has coordinates","266692","2021-06-25","23:06:37",""
"4003958","11.806","0.0013","10.1279","0.0013","7.6661","0.0008","90","","90","","90","","916.64","0.18","289","2","289","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- F5 I Mo O4 Rb2 -","- F5 I Mo O4 Rb2 -","- F20 I4 Mo4 O16 Rb8 -","4","0.5","","Hu, Yilei; Jiang, Xingxing; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Humphrey, Mark G.; Zhang, Chi","A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01434","","","0.71073","MoKα","","0.0818","0.0696","","","0.1516","0.1578","","","","","","1.175","","","","has coordinates","266693","2021-06-25","23:06:58",""
"4003959","49.493","0.0015","8.3269","0.0002","8.3253","0.0002","90","","90.008","0.002","90","","3431.05","0.16","296.99","0.11","296.99","","","","","","","","","5","C 1 c 1","C -2yc","9","Heptylammonium Methylammonium Lead Bromide","","","- C15 H39 Br7 N3 Pb2 -","- C15 H39 Br7 N3 Pb2 -","- C60 H156 Br28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71073","MoKα","","0.1035","0.0588","","","0.1604","0.169","","","","2.92","2.92","2.21","","","","has coordinates","266694","2021-06-25","23:09:19",""
"4003960","46.069","0.005","8.2722","0.0005","8.3454","0.0012","90","","90.852","0.017","90","","3180","0.6","273.01","0.15","273.01","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H38 Br7 N3 Pb2 -","- C13 H38 Br7 N3 Pb2 -","- C52 H152 Br28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71073","MoKα","","0.1832","0.0897","","","0.1882","0.2068","","","","3.5","3.5","2.11","","","","has coordinates","266695","2021-06-25","23:09:42",""
"4003961","52.952","0.005","8.3232","0.0007","8.3225","0.0007","90","","90.01","0.002","90","","3668","0.6","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","Octylammonium Methylammonium Lead Bromide","","","- C17 H46 Br7 N3 Pb2 -","- C17 H46 Br7 N3 Pb2 -","- C68 H184 Br28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","","0.71073","MoKα","","0.149","0.0717","","","0.1936","0.2333","","","","","","1.001","","","","has coordinates","266696","2021-06-25","23:10:05",""
"4003962","50.4324","0.0003","8.972","0.0004","8.8421","","90","","97.639","","90","","3965.36","0.18","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Octylammonium Methylammonium Lead iodide","","","- C17 H46 I7 N3 Pb2 -","- C17 H46 I7 N3 Pb2 -","- C68 H184 I28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71359","MoKα","","0.1315","0.064","","","0.1391","0.1467","","","","4.06","4.06","2.96","","","","has coordinates","266697","2021-06-25","23:10:31",""
"4003963","48.559","","8.328","","8.325","","90","","90.05","","90","","3366.62","","322.99","0.14","322.99","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexylammonium Methylammonium Lead Bromide","","","- C13 H34 Br7 N3 Pb2 -","- C13 H36 Br7 N3 Pb2 -","- C52 H144 Br28 N12 Pb8 -","4","0.5","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71073","MoKα","","0.113","0.0884","","","0.2669","0.2932","","","","","","1.053","","","","has coordinates","266698","2021-06-25","23:10:57",""
"4003964","8.1835","0.0007","17.1315","0.0015","20.45","0.0018","90","","90","","90","","2867","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Cl2 Co N6 -","- C6 H24 Cl2 Co N6 -","- C48 H192 Cl16 Co8 N48 -","8","1","","Zheng, Huafei; Wilfong, Brandon C.; Hickox-Young, Daniel; Rondinelli, James M.; Zavalij, Peter Y.; Rodriguez, Efrain E.","Polar Ferromagnetic Metal by Intercalation of Metal‒Amine Complexes","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00540","","","0.71073","MoKα","","0.0314","0.0228","","","0.0531","0.0557","","","","","","1","","","","has coordinates","266785","2021-06-29","22:36:48",""
"4003965","33.4529","0.0014","8.7631","0.0004","23.7869","0.001","90","","100.368","0.0007","90","","6859.3","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.91 H56 Cl4 Co2 N14 -","- C15.92 H56 Cl4 Co2 N14 -","- C127.36 H448 Cl32 Co16 N112 -","8","1","","Zheng, Huafei; Wilfong, Brandon C.; Hickox-Young, Daniel; Rondinelli, James M.; Zavalij, Peter Y.; Rodriguez, Efrain E.","Polar Ferromagnetic Metal by Intercalation of Metal‒Amine Complexes","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00540","","","0.71073","MoKα","","0.0477","0.0367","","","0.0891","0.0938","","","","","","1.037","","","","has coordinates,has disorder","266786","2021-06-29","22:37:23",""
"4003966","14.778","0.003","11.066","0.003","20.095","0.005","90","","90","","90","","3286.2","1.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H32 Co13 N8 S12 -","- C8 H32 Co13 N8 S12 -","- C32 H128 Co52 N32 S48 -","4","1","","Zheng, Huafei; Wilfong, Brandon C.; Hickox-Young, Daniel; Rondinelli, James M.; Zavalij, Peter Y.; Rodriguez, Efrain E.","Polar Ferromagnetic Metal by Intercalation of Metal‒Amine Complexes","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00540","","","0.71073","MoKα","","0.161","0.0641","","","0.1631","0.2249","","","","","","0.972","","","","has coordinates,has disorder","266787","2021-06-29","22:37:51",""
"4003967","15.4912","0.0002","8.3769","0.0001","40.0997","0.0005","90","","91.93","0.001","90","","5200.72","0.11","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 I7 N3 O Pb2 S6 -","- C33 H44 I7 N3 O Pb2 S6 -","- C132 H176 I28 N12 O4 Pb8 S24 -","4","1","","Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01221","","x-ray","1.54184","CuKα","","0.0535","0.042","","","0.0963","0.103","","","","","","1.049","","","","has coordinates,has disorder","266788","2021-06-29","22:38:14",""
"4003968","19.2783","0.0007","21.3335","0.0007","8.4039","0.0002","90","","93.989","0.003","90","","3447.93","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 I10 N4 Pb3 S8 -","- C44 H56 I10 N4 Pb3 S8 -","- C88 H112 I20 N8 Pb6 S16 -","2","0.5","","Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01221","","x-ray","1.54184","CuKα","","0.1091","0.0877","","","0.1865","0.1995","","","","","","1.089","","","","has coordinates,has disorder","266789","2021-06-29","22:38:36",""
"4003969","24.774","0.0005","7.35765","0.00014","7.86657","0.00015","90","","91.5692","0.0018","90","","1433.37","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl4 N2 Pb S4 -","- C22 H28 Cl4 N2 Pb S4 -","- C44 H56 Cl8 N4 Pb2 S8 -","2","0.5","","Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01221","","x-ray","1.54184","CuKα","","0.0343","0.0265","","","0.0632","0.0681","","","","","","1.027","","","","has coordinates","266790","2021-06-29","22:38:57",""
"4003970","23.5063","0.0005","7.7046","0.0002","8.2879","0.0002","90","","91.33","0.002","90","","1500.59","0.06","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br4 N2 Pb S4 -","- C22 H28 Br4 N2 Pb S4 -","- C44 H56 Br8 N4 Pb2 S8 -","2","0.5","","Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01221","","x-ray","0.71073","MoKα","","0.0353","0.0281","","","0.0661","0.0706","","","","","","1.055","","","","has coordinates,has disorder","266791","2021-06-29","22:39:20",""
"4003971","37.2172","0.0007","8.5262","0.0001","38.7318","0.0008","90","","117.507","0.002","90","","10901","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H168 I30 N12 Pb9 S24 -","- C132 H168 I30 N12 Pb9 S24 -","- C264 H336 I60 N24 Pb18 S48 -","2","0.5","","Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01221","","x-ray","1.54184","CuKα","","0.1041","0.0691","","","0.1801","0.2107","","","","","","1.037","","","","has coordinates","266792","2021-06-29","22:39:46",""
"4003972","11.2186","0.0003","13.7976","0.0004","15.2854","0.0004","90","","96.979","0.002","90","","2348.49","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 Cu4 I6 Na2 O15 -","- C24 H52 Cu4 I6 Na2 O15 -","- C48 H104 Cu8 I12 Na4 O30 -","2","0.5","","Huang, Jinglong; Su, Binbin; Song, Enhai; Molokeev, Maxim S.; Xia, Zhiguo","Ultra-Broad-Band-Excitable Cu(I)-Based Organometallic Halide with Near-Unity Emission for Light-Emitting Diode Applications","Chemistry of Materials","2021","33","12","4382","4389","10.1021/acs.chemmater.1c00085","","","0.71073","MoKα","","0.0296","0.0236","","","0.05","0.0522","","","","","","0.95","","","","has coordinates","266943","2021-07-03","21:16:28",""
"4003973","7.21984","0.00004","7.21984","0.00004","17.44441","0.00012","90","","90","","120","","787.485","0.008","40","","40","","","","","","","","","3","R 3 m :H","R 3 -2""","160","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga3 Mo12 Se24 -","3","0.166667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.1209","2.0291","","","","","","","has coordinates","267297","2021-07-06","22:23:21",""
"4003974","4.93891","0.00016","4.93891","0.00016","4.93891","0.00016","90","","90","","90","","120.474","0.007","40","","40","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","8.9554","2.0291","","","","","","","has coordinates","267297","2021-07-06","22:23:23",""
"4003975","7.21842","0.00018","7.157","0.0005","10.1655","0.0003","90","","90","","90","","525.17","0.04","40","","40","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.9601","2.0291","","","","","","","has coordinates","267297","2021-07-06","22:23:24",""
"4003976","7.22163","0.00004","7.22163","0.00004","17.43472","0.00012","90","","90","","120","","787.437","0.008","2","","2","","","","","","","","","3","R 3 m :H","R 3 -2""","160","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga3 Mo12 Se24 -","3","0.166667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.2037","2.1","","","","","","","has coordinates","267298","2021-07-06","22:23:59",""
"4003977","4.93823","0.00016","4.93823","0.00016","4.93823","0.00016","90","","90","","90","","120.424","0.007","2","","2","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","12.1966","2.1","","","","","","","has coordinates","267298","2021-07-06","22:24:00",""
"4003978","7.21949","0.00019","7.156","0.0005","10.1648","0.0004","90","","90","","90","","525.14","0.04","2","","2","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.9157","2.1","","","","","","","has coordinates","267298","2021-07-06","22:24:00",""
"4003979","7.22081","0.00004","7.22081","0.00004","17.4383","0.00012","90","","90","","120","","787.42","0.008","30","","30","","","","","","","","","3","R 3 m :H","R 3 -2""","160","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga3 Mo12 Se24 -","3","0.166667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.718","2.1839","","","","","","","has coordinates","267299","2021-07-06","22:24:34",""
"4003980","4.93894","0.00017","4.93894","0.00017","4.93894","0.00017","90","","90","","90","","120.476","0.007","30","","30","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","11.0771","2.1839","","","","","","","has coordinates","267299","2021-07-06","22:24:34",""
"4003981","7.2196","0.0002","7.1573","0.0005","10.1651","0.0004","90","","90","","90","","525.26","0.04","30","","30","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","4.6774","2.1839","","","","","","","has coordinates","267299","2021-07-06","22:24:34",""
"4003982","7.21861","0.00004","7.21861","0.00004","17.45028","0.00012","90","","90","","120","","787.481","0.008","45","","45","","","","","","","","","3","R 3 m :H","R 3 -2""","160","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga3 Mo12 Se24 -","3","0.166667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.1685","2.0538","","","","","","","has coordinates","267300","2021-07-06","22:25:07",""
"4003983","4.93828","0.00017","4.93828","0.00017","4.93828","0.00017","90","","90","","90","","120.428","0.007","45","","45","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","9.6839","2.0538","","","","","","","has coordinates","267300","2021-07-06","22:25:07",""
"4003984","7.2169","0.0002","7.1576","0.0004","10.1656","0.0003","90","","90","","90","","525.11","0.04","45","","45","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.8053","2.0538","","","","","","","has coordinates","267300","2021-07-06","22:25:07",""
"4003985","10.1654","0.0006","10.1654","0.0006","10.1654","0.0006","90","","90","","90","","1050.45","0.11","100","","100","","","","","","","","","3","F -4 3 m","F -4 2 3","216","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga4 Mo16 Se32 -","4","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","","x-ray","0.71075","MoKα","","0.0128","0.0125","","","0.0151","0.0153","","","","1.15","1.15","1.14","","","","has coordinates","267301","2021-07-06","22:25:35",""
"4003986","10.1608","0.0006","10.1608","0.0006","10.1608","0.0006","90","","90","","90","","1049.02","0.11","100","","100","","","","","","","","","3","F -4 3 m","F -4 2 3","216","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga4 Mo16 Se32 -","4","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","","x-ray","0.71073","MoKα","","0.0086","0.0086","","","0.0136","0.0136","","","","1.19","1.19","1.19","","","","has coordinates","267302","2021-07-06","22:25:54",""
"4003987","10.16473","0.00002","10.16473","0.00002","10.16473","0.00002","90","","90","","90","","1050.24","0.004","65","","65","","","","","","","","","3","F -4 3 m","F -4 2 3","216","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga4 Mo16 Se32 -","4","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","2.9706","2.3377","","","","","","","has coordinates","267303","2021-07-06","22:26:29",""
"4003988","4.93911","0.00019","4.93911","0.00019","4.93911","0.00019","90","","90","","90","","120.489","0.008","65","","65","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","15.4907","2.3377","","","","","","","has coordinates","267303","2021-07-06","22:26:29",""
"4003989","10.17818","0.00002","10.17818","0.00002","10.17818","0.00002","90","","90","","90","","1054.41","0.004","300","","300","","","","","","","","","3","F -4 3 m","F -4 2 3","216","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga1.00006 Mo4 Se8 -","- Ga4.00024 Mo16 Se32 -","4","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","2.8214","1.8978","","","","","","","has coordinates","267304","2021-07-06","22:27:07",""
"4003990","4.94483","0.00015","4.94483","0.00015","4.94483","0.00015","90","","90","","90","","120.908","0.006","300","","300","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","2.8214","1.8978","","","","","","","has coordinates","267304","2021-07-06","22:27:09",""
"4003991","7.22055","0.00004","7.22055","0.00004","17.44069","0.00012","90","","90","","120","","787.472","0.008","35","","35","","","","","","","","","3","R 3 m :H","R 3 -2""","160","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga3 Mo12 Se24 -","3","0.166667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.184","2.1069","","","","","","","has coordinates","267305","2021-07-06","22:27:48",""
"4003992","4.93814","0.00016","4.93814","0.00016","4.93814","0.00016","90","","90","","90","","120.418","0.007","35","","35","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","12.3681","2.1069","","","","","","","has coordinates","267305","2021-07-06","22:27:57",""
"4003993","7.2185","0.0002","7.1571","0.0005","10.1658","0.0004","90","","90","","90","","525.2","0.04","35","","35","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","4.0621","2.1069","","","","","","","has coordinates","267305","2021-07-06","22:27:57",""
"4003994","10.2022","0.0006","10.2022","0.0006","10.2022","0.0006","90","","90","","90","","1061.89","0.11","300","","300","","","","","","","","","3","F -4 3 m","F -4 2 3","216","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga4 Mo16 Se32 -","4","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","","x-ray","0.71075","MoKα","","0.0214","0.0186","","","0.0229","0.023","","","","1.48","1.48","1.39","","","","has coordinates","267306","2021-07-06","22:28:27",""
"4003995","9.1142","0.0004","12.0574","0.0005","13.2549","0.0007","90","","90.651","0.004","90","","1456.53","0.12","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 N2 O4 S -","- C13 H20 N2 O4 S -","- C52 H80 N8 O16 S4 -","4","2","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.0569","0.056","","","0.142","0.143","","","","","","1.04","","","","has coordinates","267463","2021-07-11","22:16:01",""
"4003996","8.0054","0.0004","11.1571","0.0008","16.1757","0.0008","90","","90","","90","","1444.77","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N2 O3 S -","- C4 H8 N2 O3 S -","- C32 H64 N16 O24 S8 -","8","1","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.056","0.0426","","","0.1119","0.1229","","","","","","1.021","","","","has coordinates","267464","2021-07-11","22:16:22",""
"4003997","12.2768","0.0006","10.0322","0.0005","13.7525","0.0007","90","","99.64","0.005","90","","1669.89","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H10 N2 O3 S -","- C5 H10 N2 O3 S -","- C40 H80 N16 O24 S8 -","8","1","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.0609","0.0522","","","0.1485","0.1566","","","","","","1.129","","","","has coordinates","267465","2021-07-11","22:16:43",""
"4003998","9.1224","0.0002","12.0569","0.0003","13.3229","0.0004","90","","90.602","0.002","90","","1465.28","0.07","173.1","0.5","173.1","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 N2 O4 S -","- C13 H20 N2 O4 S -","- C52 H80 N8 O16 S4 -","4","2","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.0444","0.0399","","","0.1054","0.1079","","","","","","1.028","","","","has coordinates","267466","2021-07-11","22:17:04",""
"4003999","10.0457","0.0013","14.95","0.0015","13.2054","0.0017","90","","97.794","0.012","90","","1964.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cd N6 O7 -","- C16 H17 Cd N6 O7 -","- C64 H68 Cd4 N24 O28 -","4","1","","Sharma, Shivani; Mukherjee, Soumya; Desai, Aamod V.; Vandichel, Matthias; Dam, Gourab K.; Jadhav, Ashwini; Kociok-Köhn, Gabriele; Zaworotko, Michael J.; Ghosh, Sujit K.","Efficient Capture of Trace Acetylene by an Ultramicroporous Metal‒Organic Framework with Purine Binding Sites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01723","","","0.71073","MoKα","","0.1939","0.106","","","0.2355","0.317","","","","","","1.078","","","","has coordinates,has disorder","267467","2021-07-11","22:17:26",""
"4004000","6.4555","0.0013","11.848","0.002","10.308","0.002","90","","99.2","0.03","90","","778.3","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- I2 Re6 S4 Se4 -","- I2 Re6 S4 Se4 -","- I4 Re12 S8 Se8 -","2","0.5","","Laing, Craig C.; Shen, Jiahong; Chica, Daniel G.; Cuthriell, Shelby A.; Schaller, Richard D.; Wolverton, Chris; Kanatzidis, Mercouri G.","Photoluminescent Re6Q8I2 (Q = S, Se) Semiconducting Cluster Compounds","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01696","","x-ray","0.56083","AgKα","","0.0789","0.0478","","","0.1034","0.1149","","","","","","1.031","","","","has coordinates,has disorder","267472","2021-07-12","22:37:01",""
"4004001","6.5735","0.0013","12.029","0.002","10.402","0.002","90","","99.63","0.03","90","","810.9","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- I2 Re6 Se8 -","- I2 Re6 Se8 -","- I4 Re12 Se16 -","2","0.5","","Laing, Craig C.; Shen, Jiahong; Chica, Daniel G.; Cuthriell, Shelby A.; Schaller, Richard D.; Wolverton, Chris; Kanatzidis, Mercouri G.","Photoluminescent Re6Q8I2 (Q = S, Se) Semiconducting Cluster Compounds","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01696","","x-ray","0.56083","AgKα","","0.0802","0.0458","","","0.0961","0.1043","","","","","","1.101","","","","has coordinates","267473","2021-07-12","22:37:20",""
"4004002","6.3649","0.0013","11.607","0.002","10.177","0.002","90","","98.77","0.03","90","","743.1","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- I2 Re6 S8 -","- I2 Re6 S8 -","- I4 Re12 S16 -","2","0.5","","Laing, Craig C.; Shen, Jiahong; Chica, Daniel G.; Cuthriell, Shelby A.; Schaller, Richard D.; Wolverton, Chris; Kanatzidis, Mercouri G.","Photoluminescent Re6Q8I2 (Q = S, Se) Semiconducting Cluster Compounds","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01696","","x-ray","0.56083","AgKα","","0.0563","0.042","","","0.0977","0.1033","","","","","","1.091","","","","has coordinates","267474","2021-07-12","22:37:39",""
"4004003","10.5812","0.0007","17.5448","0.0011","22.7429","0.0016","90","","90","","90","","4222.1","0.5","143","1","143","1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C21 Bi2 Br9 N3 -","- C21 Bi2 Br9 N3 -","- C84 Bi8 Br36 N12 -","4","0.25","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1729","0.1472","","","0.3071","0.3209","","","","","","1.235","","","","has coordinates","267565","2021-07-15","22:35:19",""
"4004004","8.8008","0.0018","19.811","0.003","21.429","0.004","90","","90","","90","","3736.2","1.2","347.99","0.1","347.99","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C15 Bi2 Br9 N3 -","- C15 Bi2 Br9 N3 -","- C60 Bi8 Br36 N12 -","4","0.25","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1252","0.0807","","","0.2297","0.2579","","","","","","1.025","","","","has coordinates","267566","2021-07-15","22:35:41",""
"4004005","10.4505","0.0008","10.4505","0.0008","23.2226","0.0013","90","","90","","120","","2196.4","0.3","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C21 H0 Bi2 Br9 N3 -","- C21.02 Bi2 Br9 N2.98 -","- C42.04 Bi4 Br18 N5.96 -","2","0.0833333","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.0934","0.0822","","","0.2331","0.2405","","","","","","1.113","","","","has coordinates","267567","2021-07-15","22:36:07",""
"4004006","22.5815","0.0015","8.7923","0.0004","24.089","0.003","90","","121.745","0.006","90","","4067.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Bi Br5 N2 -","- C8 H24 Bi Br5 N2 -","- C64 H192 Bi8 Br40 N16 -","8","2","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1614","0.1125","","","0.3107","0.3339","","","","","","1.102","","","","has coordinates","267568","2021-07-15","22:36:31",""
"4004007","22.4702","0.0009","18.4743","0.0008","19.2456","0.0014","90","","90","","90","","7989.3","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 Bi2 Br9 N3 -","- C18 Bi2 Br9 N3 -","- C144 Bi16 Br72 N24 -","8","1","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1199","0.07","","","0.1689","0.1877","","","","","","1.03","","","","has coordinates,has disorder","267569","2021-07-15","22:36:52",""
"4004008","19.5801","0.0012","21.328","0.002","8.7346","0.0006","90","","90","","90","","3647.6","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H42 Bi2 Br9 N3 -","- C15 H42 Bi2 Br9 N3 -","- C60 H168 Bi8 Br36 N12 -","4","0.5","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1213","0.0988","","","0.2563","0.2724","","","","","","1.013","","","","has coordinates","267570","2021-07-15","22:37:13",""
"4004009","23.0597","0.0008","18.4426","0.0007","18.2352","0.0007","90","","90","","90","","7755.1","0.5","148","0.1","148","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H48 Bi2 Br9 N3 -","- C18 H48 Bi2 Br9 N3 -","- C144 H384 Bi16 Br72 N24 -","8","1","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1582","0.1292","","","0.3266","0.3499","","","","","","1.03","","","","has coordinates","267571","2021-07-15","22:37:35",""
"4004010","12.2","0.002","6.783","0.0014","10.707","0.002","90","","90","","90","","886","0.3","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C12 H10 Co N4 O4 -","- C12 H10 Co N4 O4 -","- C24 H20 Co2 N8 O8 -","2","0.5","","Kang, Minjung; Kang, Dong Won; Choe, Jong Hyeak; Kim, Hyojin; Kim, Dae Won; Park, Hyein; Hong, Chang Seop","A Robust Hydrogen-Bonded Metal‒Organic Framework with Enhanced Ethane Uptake and Selectivity","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01892","","","0.7","synchrotron","","0.0625","0.0568","","","0.1798","0.1895","","","","","","0.729","","","","has coordinates","267645","2021-07-19","22:39:34",""
"4004011","6.9932","0.0016","6.9932","0.0016","8.908","0.002","90","","90","","90","","435.64","0.17","296","2","296","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","uranyl phosphate","","","- O14 P U -","- O14 P U -","- O28 P2 U2 -","2","0.125","","Wang, Xiaoze; Song, Enhai; Qin, Lianjie; Gui, Daxiang; Xu, Zhijun; Xie, Jian; Lei, Min; Zhang, Hongfa; Wang, Yanlong; Wang, Yaxing; Xia, Zhiguo; Liu, Wei; Du, Wei; Wang, Shuao","Fabrication of a Wide Color Gamut pc-WLED Surpassing 107% NTSC Based on a Robust Luminescent Uranyl Phosphate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00862","","","0.71073","MoKα","","0.0296","0.028","","","0.077","0.0783","","","","","","1.183","","","","has coordinates","267648","2021-07-20","22:34:52",""
"4004012","8.616","0.003","8.616","0.003","5.198","0.003","90","","90","","120","","334.2","0.3","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ba3 Ge3 O14 Te Zn2 -","- Ba3 Ge2.9999 O14 Te Zn2.0001 -","- Ba3 Ge2.9999 O14 Te Zn2.0001 -","1","0.166667","","Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning","A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01399","","","0.71073","MoKα","","0.0255","0.025","","","0.0748","0.0749","","","","","","1.299","","","","has coordinates,has disorder","267743","2021-07-25","22:29:39",""
"4004013","8.3223","0.0005","8.3223","0.0005","5.0551","0.0005","90","","90","","120","","303.21","0.04","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ge3 O14 Sr3 Te Zn2 -","- Ge2.9999 O14 Sr3 Te Zn2.0001 -","- Ge2.9999 O14 Sr3 Te Zn2.0001 -","1","0.166667","","Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning","A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01399","","","0.71073","MoKα","","0.0358","0.0344","","","0.1055","0.1064","","","","","","1.266","","","","has coordinates,has disorder","267744","2021-07-25","22:30:02",""
"4004014","8.5194","0.0006","8.5194","0.0006","5.1235","0.0006","90","","90","","120","","322.04","0.05","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ge3 O14 Pb3 Te Zn2 -","- Ge2.9999 O14 Pb3 Te Zn2.0001 -","- Ge2.9999 O14 Pb3 Te Zn2.0001 -","1","0.166667","","Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning","A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01399","","","0.71073","MoKα","","0.0337","0.0327","","","0.0647","0.0652","","","","","","1.083","","","","has coordinates,has disorder","267745","2021-07-25","22:30:23",""
"4004015","8.7893","0.0004","14.0924","0.0007","9.6968","0.0005","93.982","0.004","67.441","0.005","92.837","0.004","1106.15","0.1","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","1","1","","He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong","Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c02084","","","0.71073","MoKα","","0.0865","0.0686","","","0.1603","0.1685","","","","","","1.061","","","","has coordinates","267749","2021-07-26","22:36:26",""
"4004016","8.8725","0.0014","14.4071","0.0017","9.6558","0.0014","90","","113.403","0.018","90","","1132.7","0.3","423","2","423","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H20 Bi Br6 N2 O2 Rb -","- C8 H20 Bi Br6 N2 O2 Rb -","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","2","1","","He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong","Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c02084","","","0.71073","MoKα","","0.2858","0.2127","","","0.4561","0.4898","","","","","","1.12","","","","has coordinates","267750","2021-07-26","22:36:42",""
"4004017","10.24","0.002","8.4579","0.0017","21.347","0.004","90","","90.14","0.03","90","","1848.8","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Bi I5 N2 -","- C6 H16 Bi I5 N2 -","- C24 H64 Bi4 I20 N8 -","4","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0406","0.0331","","","0.0752","0.0779","","","","","","1.066","","","","has coordinates","267751","2021-07-26","22:37:02",""
"4004018","8.5577","0.0002","9.7387","0.0002","18.5585","0.0004","86.3032","0.0012","88.2019","0.0011","88.8251","0.001","1542.44","0.06","273.15","","273.15","","","","","","","","","7","P 1","P 1","1","","","","- C12 H22 Ag Bi I8 N4 O -","- C12 H22 Ag Bi I8 N4 O -","- C24 H44 Ag2 Bi2 I16 N8 O2 -","2","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0474","0.0366","","","0.1043","0.1138","","","","","","0.983","","","","has coordinates","267752","2021-07-26","22:37:23",""
"4004019","10.93","0.002","9.0996","0.0018","17.651","0.004","90","","90.29","0.03","90","","1755.5","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H10 Bi I5 N2 -","- C6 H10 Bi I5 N2 -","- C24 H40 Bi4 I20 N8 -","4","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","x-ray","0.71073","MoKα","","0.1084","0.093","","","0.1017","0.1022","","","","5.07","5.07","4.57","","","","has coordinates","267753","2021-07-26","22:37:45",""
"4004020","19.55","0.004","10.108","0.002","17.163","0.003","90","","90","0.03","90","","3391.6","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H10 Bi I5 N2 -","- C6 H10 Bi I5 N2 -","- C48 H80 Bi8 I40 N16 -","8","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0667","0.056","","","0.1408","0.147","","","","","","1.01","","","","has coordinates","267754","2021-07-26","22:38:08",""
"4004021","34.988","0.007","8.4789","0.0017","22.226","0.004","90","","96.92","0.03","90","","6546","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H16.5 Ag0.5 Bi0.5 I4 N2 O0.25 -","- C6 H16.25 Ag0.5 Bi0.5 I4 N2 O0.25 -","- C96 H260 Ag8 Bi8 I64 N32 O4 -","16","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0724","0.0316","","","0.0532","0.0605","","","","","","0.891","","","","has coordinates","267755","2021-07-26","22:38:35",""
"4004022","12.74","0.003","8.9285","0.0018","16.404","0.003","90","","90.09","0.03","90","","1865.9","0.7","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Bi I5 N2 -","- C6 H16 Bi I5 N2 -","- C24 H64 Bi4 I20 N8 -","4","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","x-ray","0.71073","MoKα","","0.0905","0.0607","","","0.0849","0.086","","","","3.04","3.04","2.48","","","","has coordinates","267756","2021-07-26","22:39:07",""
"4004023","5.7203","0.0002","6.546","0.0002","6.7887","0.0002","86.6638","0.001","88.7402","0.001","89.5149","0.001","253.705","0.014","300","2","299.92","","","","","","","","","3","P -1","-P 1","2","","","","- B2 Co2 Nd -","- B2 Co2 Nd -","- B8 Co8 Nd4 -","4","2","","Powderly, Kelly M.; Guo, Shu; Mitchell Warden, Hillary E.; Nguyen, Loi T.; Cava, R. J.","Metastable β-NdCo2B2: A Triclinic Polymorph with Magnetic Ordering","Chemistry of Materials","2021","33","16","6374","6382","10.1021/acs.chemmater.1c01545","","x-ray","0.71073","MoKα","","0.0204","0.0166","","","0.0382","0.0397","","","","","","1.057","","","","has coordinates","268447","2021-09-03","21:59:04",""
"4004024","24.9258","0.001","5.4638","0.0002","5.4927","0.0002","90","","90","","90","","748.05","0.05","299","2","299","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Bi5 Na Nb4 O18 -","- Bi5 Na Nb4 O18 -","- Bi10 Na2 Nb8 O36 -","2","0.25","","Kim, Kisung; Lee, Min Hyung; Ok, Kang Min","Structural Origin of Very Large Second-Harmonic Generation of a Layered Perovskite, Na0.5Bi2.5Nb2O9","Chemistry of Materials","2021","33","16","6564","6571","10.1021/acs.chemmater.1c02203","","x-ray","0.71073","MoKα","","0.0494","0.0492","","","0.1419","0.1421","","","","","","1.14","","","","has coordinates","268448","2021-09-03","21:59:28",""
"4004025","16.52","0.02","8.223","0.01","9.293","0.011","90","","90","","90","","1262","3","296.15","","296.15","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- Hg3 P2 S8 -","- Hg3 P2 S8 -","- Hg12 P8 S32 -","4","0.5","","Chu, Yu; Wang, Peng; Zeng, Hao; Cheng, Shichao; Su, Xin; Yang, Zhihua; Li, Junjie; Pan, Shilie","Hg3P2S8: A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold","Chemistry of Materials","2021","33","16","6514","6521","10.1021/acs.chemmater.1c01982","","","0.71073","MoKα","","0.0366","0.0309","","","0.0682","0.0713","","","","","","0.969","","","","has coordinates","268449","2021-09-03","21:59:47",""
"4004026","10.3586","0.0003","12.474","0.0004","16.2912","0.0005","90","","93.407","0.001","90","","2101.32","0.11","294","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Ca5 O22 S2 -","- C24 H42 Ca5 O22 S2 -","- C48 H84 Ca10 O44 S4 -","2","0.5","","Yin, Yu-Jie; Zhao, He; Zhang, Lingwen; Huang, Jiaxiang; Zhang, Jian-Jun; Chen, Jun; Ni, Jun; Song, Bo; Liu, Shuqin; Duan, Chunying","Color-Tunable Long-Lived Room-Temperature Phosphorescence in a Coordination Polymer Based on a Nonaromatic Ligand and Its Phosphor/Coordination Polymer-Doped Systems","Chemistry of Materials","2021","33","18","7272","7282","10.1021/acs.chemmater.1c01514","","","0.71073","MoKα","","0.0486","0.0419","","","0.1183","0.1229","","","","","","1.039","","","","has coordinates,has disorder","269504","2021-10-03","21:45:38",""
"4004027","20.5838","0.0013","15.8576","0.0009","16.9689","0.0006","84.446","0.004","85.324","0.004","69.545","0.006","5158.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","JUK-20-eve","","","- C34 H29 Cd N9 O6 -","- C34 H29 Cd N9 O6 -","- C136 H116 Cd4 N36 O24 -","4","2","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.1094","0.055","","","0.1218","0.1476","","","","","","1.005","","","","has coordinates","269505","2021-10-03","21:46:06",""
"4004028","20.6808","0.0003","15.8316","0.0002","16.3301","0.0003","90","","94.133","0.001","90","","5332.74","0.14","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-noh","","","- C40 H39 Cd N9 O7 -","- C40 H39 Cd N9 O7 -","- C160 H156 Cd4 N36 O28 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","1.54184","CuKα","","0.0723","0.0677","","","0.2002","0.2045","","","","","","1.055","","","","has coordinates,has disorder","269506","2021-10-03","21:46:34",""
"4004029","10.7072","0.0003","9.5189","0.0002","15.7651","0.0003","90","","96.508","0.002","90","","1596.44","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DPT-noh","","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.0666","0.0596","","","0.1634","0.1696","","","","","","1.039","","","","has coordinates,has disorder","269507","2021-10-03","21:46:56",""
"4004030","20.3536","0.0001","15.8322","0.0001","16.8859","0.0002","90","","94.971","0.001","90","","5420.88","0.08","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-nor","","","- C29 H20 Cd N8 O5 -","- C29 H20 Cd N8 O5 -","- C116 H80 Cd4 N32 O20 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.081","0.0602","","","0.1733","0.1942","","","","","","1.038","","","","has coordinates,has disorder","269508","2021-10-03","21:47:21",""
"4004031","20.4536","0.0005","15.7247","0.0005","17.0953","0.0002","86.129","0.002","85.252","0.002","70.324","0.003","5154.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","JUK-20","","","- C32 H27 Cd N11 O6 -","- C32 H27 Cd N11 O6 -","- C128 H108 Cd4 N44 O24 -","4","2","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","1.54184","CuKα","","0.0811","0.0714","","","0.1965","0.2109","","","","","","1.063","","","","has coordinates","269509","2021-10-03","21:47:47",""
"4004032","20.3536","0.0001","15.8322","0.0001","16.8859","0.0002","90","","94.971","0.001","90","","5420.88","0.08","120","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-noh","","","- C36 H30 Cd N8 O5 -","- C36 H30 Cd N8 O5 -","- C144 H120 Cd4 N32 O20 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","","0.71073","MoKα","","0.0959","0.0746","","","0.2279","0.2502","","","","","","1.069","","","","has coordinates,has disorder","269510","2021-10-03","21:48:13",""
"4004033","10.6147","0.0006","9.0978","0.0005","15.2177","0.0009","90","","96.57","0.005","90","","1459.93","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DPT-nor","","","- C19 H16 N4 -","- C19 H16 N4 -","- C76 H64 N16 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.061","0.0574","","","0.1638","0.1715","","","","","","1.05","","","","has coordinates","269511","2021-10-03","21:48:35",""
"4004034","26.8453","0.0016","5.7386","0.0003","7.249","0.0004","90","","107.645","0.006","90","","1064.2","0.11","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DPT-eve","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","0.5","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","1.54184","CuKα","","0.0388","0.038","","","0.1011","0.1027","","","","","","1.067","","","","has coordinates","269512","2021-10-03","21:48:56",""
"4004035","20.488","0.0004","15.7873","0.0002","16.812","0.0004","90","","95.489","0.002","90","","5412.91","0.18","121","2","121","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-chx","","","- C35 H28 Cd N8 O5 -","- C35 H28 Cd N8 O5 -","- C140 H112 Cd4 N32 O20 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.1463","0.1067","","","0.2639","0.2979","","","","","","1.054","","","","has coordinates,has disorder","269513","2021-10-03","21:49:21",""
"4004036","9.4641","0.0004","5.479","0.0002","9.585","0.0004","90","","108.568","0.003","90","","471.15","0.03","","","7","","","","100","","","","","3","C 1 2/c 1","-C 2yc","15","BiCrO3 at 7 K","","","- Bi Cr O3 -","- Bi Cr O3 -","- Bi8 Cr8 O24 -","8","1","","Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.","Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 7 K","Chemistry of Materials","2008","20","","3765","3769","10.1021/cm800375d","","","","","","","","","","","","","","","","","","","","","has coordinates","270195","2021-11-02","08:22:35",""
"4004037","9.4621","0.0004","5.4783","0.0002","9.5832","0.0004","90","","108.569","0.003","90","","470.9","0.03","","","50","","","","100","","","","","3","C 1 2/c 1","-C 2yc","15","BiCrO3 at 50 K","","","- Bi Cr O3 -","- Bi Cr O3 -","- Bi8 Cr8 O24 -","8","1","","Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.","Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 50 K","Chemistry of Materials","2008","20","","3765","3769","10.1021/cm800375d","","","","","","","","","","","","","","","","","","","","","has coordinates","270196","2021-11-02","08:23:35",""
"4004038","9.462","0.0004","5.4781","0.0002","9.5835","0.0003","90","","108.568","0.003","90","","470.89","0.03","","","80","","","","100","","","","","3","C 1 2/c 1","-C 2yc","15","BiCrO3 at 80 K","","","- Bi Cr O3 -","- Bi Cr O3 -","- Bi8 Cr8 O24 -","8","1","","Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.","Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 80 K","Chemistry of Materials","2008","20","","3765","3769","10.1021/cm800375d","","","","","","","","","","","","","","","","","","","","","has coordinates","270197","2021-11-02","08:24:33",""
"4004039","9.4658","0.0005","5.481","0.0002","9.5879","0.0004","90","","108.564","0.003","90","","471.56","0.04","","","130","","","","100","","","","","3","C 1 2/c 1","-C 2yc","15","BiCrO3 at 130 K","","","- Bi Cr O3 -","- Bi Cr O3 -","- Bi8 Cr8 O24 -","8","1","","Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.","Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 130 K","Chemistry of Materials","2008","20","","3765","3769","10.1021/cm800375d","","","","","","","","","","","","","","","","","","","","","has coordinates","270198","2021-11-02","08:25:30",""
"4004040","5.54568","0.00012","7.7577","0.0002","5.42862","0.00012","90","","90","","90","","233.549","0.009","","","490","","","","100","","","","","3","P n m a","-P 2ac 2n","62","BiCrO3 perovskite at 490 K","","","- Bi Cr O3 -","- Bi Cr O3 -","- Bi4 Cr4 O12 -","4","0.5","","Belik, A.A.; Iikubo, S.; Kodama, K.; Igawa, N.; Shamoto, S.; Takayama-Muromachi, E.","Neutron powder diffraction study on the crystal and magnetic structures of BiCrO3 :At 470 K perovskite structure","Chemistry of Materials","2008","20","","3765","3769","10.1021/cm800375d","","","","","","","","","","","","","","","","","","","","","has coordinates","270199","2021-11-02","08:26:20",""
"4004041","3.80329","0.00006","3.80329","0.00006","4.64989","0.0001","90","","90","","90","","67.261","0.002","","","90","","","","100","","","","","3","P 4 m m","P 4 -2","99","PbVO3 perovskite at 90 K","","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.","Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 90 K","Chemistry of Materials","2005","17","","269","273","10.1021/cm048387i","","","","","","","","","","","","","","","","","","","","","has coordinates","270200","2021-11-02","08:27:47",""
"4004042","3.80391","0.00005","3.80391","0.00005","4.6768","0.00008","90","","90","","90","","67.672","0.0017","","","300","","","","100","","","","","3","P 4 m m","P 4 -2","99","PbVO3 perovskite at 300 K","","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.","Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 300 K","Chemistry of Materials","2005","17","","269","273","10.1021/cm048387i","","","","","","","","","","","","","","","","","","","","","has coordinates","270201","2021-11-02","08:28:36",""
"4004043","3.80721","0.00005","3.80721","0.00005","4.69819","0.00009","90","","90","","90","","68.0995","0.0018","","","530","","","","100","","","","","3","P 4 m m","P 4 -2","99","PbVO3 perovskite at 530 K","","","- O3 Pb V -","- O3 Pb V -","- O3 Pb V -","1","0.125","","Belik, A.A.; Azuma, M.; Saito, T.; Shimakawa, Y.; Takano, M.","Crystallographic features and tetragonal phase stability of PbVO3, a new memmber of PbTiO3 family : At 530 K","Chemistry of Materials","2005","17","","269","273","10.1021/cm048387i","","","","","","","","","","","","","","","","","","","","","has coordinates","270202","2021-11-02","08:29:18",""
"4004044","16.378","0.003","16.378","0.003","27.376","0.007","90","","90","","90","","7343","3","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","NaCu3(C2H3N4)4","'NaCu3(C2H3N4)4'","","- C8 H12 Cu3 N16 Na -","- C8 H12 Cu3 N16 Na -","- C128 H192 Cu48 N256 Na16 -","16","0.5","","Lu, Ying-Bing; Liao, Ya-Qing; Dong, Lu; Zhu, Shui-Dong; Wen, He-Rui; Huang, Jing; Dai, Xue-Xun; Lian, Ping; Jiang, Xiao-Ming; Li, Rong; Xie, Yong-Rong","Ultra-Stable Metal–Organic Framework with Concurrent High Proton Conductivity and Fluorescence Sensing for Nitrobenzene","Chemistry of Materials","2021","33","19","7858","7868","10.1021/acs.chemmater.1c02562","","","0.71073","MoKα","","0.039","0.0387","","","0.165","0.1653","","","","","","1.429","","","","has coordinates","270263","2021-11-03","22:33:29",""
"4004045","46.14","0.005","46.14","0.005","46.14","0.005","90","","90","","90","","98227","18","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C41 H18 Cu2 N2 O11 -","- C40.5 H18 Cu2 N O11 -","- C972 H432 Cu48 N24 O264 -","24","0.125","","Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan","Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks","Chemistry of Materials","2021","33","20","7964","7971","10.1021/acs.chemmater.1c01804","","","0.895","synchrotron","","0.107","0.0809","","","0.2426","0.2888","","","","","","1.148","","","","has coordinates,has disorder","270264","2021-11-03","22:35:53",""
"4004046","46.47","0.005","46.47","0.005","46.47","0.005","90","","90","","90","","100350","19","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C41 H18 N2 O11 Zn2 -","- C40.5 H18 N2 O11 Zn2 -","- C972 H432 N48 O264 Zn48 -","24","0.125","","Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan","Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks","Chemistry of Materials","2021","33","20","7964","7971","10.1021/acs.chemmater.1c01804","","","0.895","synchrotron","","0.0922","0.0787","","","0.2415","0.2698","","","","","","1.139","","","","has coordinates,has disorder","270264","2021-11-03","22:35:54",""
"4004047","46.52","0.005","46.52","0.005","46.52","0.005","90","","90","","90","","100674","19","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C41 H18 Co2 N2 O11 -","- C40.5 H22 Co2 N2 O11 -","- C972 H528 Co48 N48 O264 -","24","0.125","","Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan","Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks","Chemistry of Materials","2021","33","20","7964","7971","10.1021/acs.chemmater.1c01804","","","0.895","synchrotron","","0.1778","0.1445","","","0.3768","0.4208","","","","","","1.945","","","","has coordinates,has disorder","270264","2021-11-03","22:35:54",""
"4004048","16.6247","0.0015","16.6247","0.0015","22.222","0.002","90","","90","","90","","6141.7","1","90","2","90","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ba0.25 Ca3.42 Mg1.18 Sb11 Yb10.15 -","- Ba0.2472 Ca3.4166 Mg1.1824 Sb11 Yb10.153 -","- Ba1.9776 Ca27.3328 Mg9.4592 Sb88 Yb81.224 -","8","0.25","","Perez, Christopher J.; Cerretti, Giacomo; Wille, Elizabeth L. K.; Devlin, Kasey P.; Grewal, Navtej S.; Justl, Andrew P.; Wood, Maxwell; Bux, Sabah K.; Kauzlarich, Susan M.","Evolution of Thermoelectric Properties in the Triple Cation Zintl Phase: Yb13–xCaxBaMgSb11 (x = 1–6)","Chemistry of Materials","2021","33","20","8059","8069","10.1021/acs.chemmater.1c02584","","","0.71073","MoKα","","0.0208","0.0199","","","0.0435","0.0438","","","","","","1.183","","","","has coordinates,has disorder","270265","2021-11-03","22:36:53",""
"4004049","6.5845","0.0002","3.8012","0.0001","7.7116","0.0002","90","","106.548","0.001","90","","185.019","0.009","273","2","273.15","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr K Se2 -","- Cr K Se2 -","- Cr2 K2 Se4 -","2","0.25","","Song, Xiaoyu; Schneider, Sarah N.; Cheng, Guangming; Khoury, Jason F.; Jovanovic, Milena; Yao, Nan; Schoop, Leslie M.","Kinetics and Evolution of Magnetism in Soft-Chemical Synthesis of CrSe2 from KCrSe2","Chemistry of Materials","2021","33","20","8070","8078","10.1021/acs.chemmater.1c02620","","","0.71073","MoKα","","0.0189","0.0179","","","0.0428","0.0432","","","","","","1.417","","","","has coordinates","270266","2021-11-03","22:37:16",""
"4004050","13.5717","0.0018","13.5717","0.0018","9.9759","0.0018","90","","90","","120","","1591.3","0.4","250","2","250","","","","","","","","","6","P -3 1 m","-P 3 2","162","2","","","- C14 H24 Cl2 Fe2 N2 O4 -","- C8.66667 H8.0004 Cl2 Fe0.666667 N0.666667 O4 -","- C26 H24.0012 Cl6 Fe2 N2 O12 -","3","0.25","","Wang, Yiran; Ziebel, Michael E.; Sun, Lei; Gish, J. Tyler; Pearson, Tyler J.; Lu, Xue-Zeng; Thorarinsdottir, Agnes E.; Hersam, Mark C.; Long, Jeffrey R.; Freedman, Danna E.; Rondinelli, James M.; Puggioni, Danilo; Harris, T. David","Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order","Chemistry of Materials","2021","33","22","8712","8721","10.1021/acs.chemmater.1c02670","","","1.54178","CuKα","","0.1294","0.1011","","","0.2595","0.2916","","","","","","1.09","","","","has coordinates,has disorder","271063","2021-12-03","23:11:44",""
"4004051","6.9973","0.001","12.147","0.0017","18.2554","0.0025","90","","90.7345","0.0026","90","","1551.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- N O2 Si Y -","- N O2 Si Y -","- N24 O48 Si24 Y24 -","24","3","","Kitagawa, Yuuki; Ueda, Jumpei; Fujii, Kotaro; Yashima, Masatomo; Funahashi, Shiro; Nakanishi, Takayuki; Takeda, Takashi; Hirosaki, Naoto; Hongo, Kenta; Maezono, Ryo; Tanabe, Setsuhisa","Site-Selective Eu3+ Luminescence in the Monoclinic Phase of YSiO2N","Chemistry of Materials","2021","33","22","8873","8885","10.1021/acs.chemmater.1c03139","","","0.71073","MoKα","","0.0784","0.0309","","","","0.0684","","","","","","0.863","","","","has coordinates","271064","2021-12-03","23:12:16",""
"4004052","8.4328","0.0002","9.8807","0.0002","9.9005","0.0002","68.215","0.002","74.887","0.002","84.956","0.002","739.49","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4CdGa9S16Cl","","","- Cd Cl Ga9 K4 S16 -","- Cd Cl Ga9 K4 S16 -","- Cd Cl Ga9 K4 S16 -","1","1","","Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong","Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations","Chemistry of Materials","2021","33","22","8831","8837","10.1021/acs.chemmater.1c03046","","","0.71073","MoKα","","0.041","0.0388","","","0.0817","0.0826","","","","","","1.017","","","","has coordinates","271065","2021-12-03","23:12:33",""
"4004053","8.772","0.0003","10.2955","0.0003","10.3146","0.0003","68.356","0.002","74.92","0.003","84.93","0.002","836.01","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4CdGa9Se16Cl","","","- Cd Cl Ga9 K4 Se16 -","- Cd Cl Ga9 K4 Se16 -","- Cd Cl Ga9 K4 Se16 -","1","1","","Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong","Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations","Chemistry of Materials","2021","33","22","8831","8837","10.1021/acs.chemmater.1c03046","","","0.71073","MoKα","","0.0582","0.0448","","","0.0873","0.0916","","","","","","0.955","","","","has coordinates","271066","2021-12-03","23:12:46",""
"4004054","22.57","0.05","28.68","0.06","10.94","0.03","90","","90","","90","","7082","3","293","2","293","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C45 H46 Co6 O34 -","- C45 H46 Co6 O34 -","- C180 H184 Co24 O136 -","4","1","","Qazvini, Omid T.; Scott, Victoria-Jayne; Bondorf, Linda; Ducamp, Maxime; Hirscher, Michael; Coudert, François-Xavier; Telfer, Shane G.","Flexibility of a Metal–Organic Framework Enhances Gas Separation and Enables Quantum Sieving","Chemistry of Materials","2021","33","22","8886","8894","10.1021/acs.chemmater.1c03170","","","1.54178","CuKα","","0.1463","0.1107","","","0.2647","0.2985","","","","","","1.099","","","","has coordinates","271067","2021-12-03","23:13:11",""
"4004055","15.2567","0.003","8.8952","0.0002","8.8314","0.0011","90","","124.806","0.0028","90","","984.1","0.2","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Trisodium manganese(II) titanium(IV) phosphate","","- Mn2 Na6 O24 P6 Ti2 -","- Mn2 Na6 O24 P6 Ti2 -","- Mn4 Na12 O48 P12 Ti4 -","2","0.5","","Snarskis, G; Pilipavicius, J; Gryaznov, D; Mikoliunaite, L; Vilciauskas, L","Peculiarities of Phase Formation in Mn-based NASICON Systems: The Case of Na1+2xMnxTi2-x(PO4)3(0.0<=x<=1.5)","Chemistry of Materials","2021","33","","8394","8403","10.1021/acs.chemmater.1c02775","","","","","","0.0702","","","","","","","","","","","","","","","has coordinates","271681","2022-01-03","08:57:02",""
"4004056","21.7545","0.0003","23.2675","0.0004","35.6129","0.0005","92.351","0.001","98.585","0.001","110.774","0.001","16579.2","0.5","172.99","0.1","172.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C185 H278 Ag43 K N6 O112 P5 W30 -","- C185 H278 Ag43 K N6 O112 P5 W30 -","- C370 H556 Ag86 K2 N12 O224 P10 W60 -","2","1","","Zhang, Shan-Shan; Chen, Jing-Yi; Li, Kai; Yuan, Jun-Di; Su, Hai-Feng; Wang, Zhi; Kurmoo, Mohamedally; Li, Ying-Zhou; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di; Zheng, Lansun","Janus Cluster: Asymmetric Coverage of a Ag43 Cluster on the Symmetric Preyssler P5W30 Polyoxometalate","Chemistry of Materials","2021","33","24","9708","9714","10.1021/acs.chemmater.1c03418","","x-ray","0.71073","MoKα","","0.0669","0.05","","","0.0989","0.104","","","","","","1.07","","","","has coordinates","271766","2022-01-03","23:16:00",""
"4004057","4.654","0.0004","4.654","0.0004","7.6686","0.0015","90","","90","","120","","143.85","0.03","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.28 Mn0.86 Sb2 Yb2 -","- Ag0.26 Mn0.88 Sb2 Yb2 -","- Ag0.26 Mn0.88 Sb2 Yb2 -","1","0.0833333","","Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing","Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb)","Chemistry of Materials","2021","33","24","9732","9740","10.1021/acs.chemmater.1c03527","","","0.71073","MoKα","","0.0361","0.0327","","","0.0715","0.0738","","","","","","1.222","","","","has coordinates","271767","2022-01-03","23:16:28",""
"4004058","4.6848","0.0006","4.6848","0.0006","7.7443","0.0018","90","","90","","120","","147.2","0.04","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.58 Ca2 Mn0.71 Sb2 -","- Ag0.58 Ca2 Mn0.71 Sb2 -","- Ag0.58 Ca2 Mn0.71 Sb2 -","1","0.0833333","","Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing","Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb)","Chemistry of Materials","2021","33","24","9732","9740","10.1021/acs.chemmater.1c03527","","","0.71073","MoKα","","0.035","0.0319","","","0.0746","0.0785","","","","","","1.34","","","","has coordinates","271768","2022-01-03","23:16:45",""
"4004059","18.4709","0.0005","9.53635","0.00016","18.6873","0.0005","90","","114.223","0.003","90","","3001.86","0.14","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C40 H64 Cl10 N4 Sb2 -","- C40 H64 Cl10 N4 Sb2 -","- C80 H128 Cl20 N8 Sb4 -","2","1","","Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo","Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield","Chemistry of Materials","2022","34","2","537","546","10.1021/acs.chemmater.1c02725","","","0.71073","MoKα","","0.0226","0.0211","","","0.0491","0.0496","","","","","","0.998","","","","has coordinates","272492","2022-02-03","22:53:36",""
"4004060","11.7848","0.0002","11.8754","0.0002","23.334","0.0005","90","","90","","90","","3265.57","0.1","150","2","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H20 Cl5 N2 Sb -","- C8 H20 Cl5 N2 Sb -","- C64 H160 Cl40 N16 Sb8 -","8","1","","Molokeev, Maxim S.; Su, Binbin; Aleksandrovsky, Aleksandr S.; Golovnev, Nicolay N.; Plyaskin, Mikhail E.; Xia, Zhiguo","Machine Learning Analysis and Discovery of Zero-Dimensional ns2 Metal Halides toward Enhanced Photoluminescence Quantum Yield","Chemistry of Materials","2022","34","2","537","546","10.1021/acs.chemmater.1c02725","","","0.71073","MoKα","","0.0487","0.0458","","","0.0926","0.0938","","","","","","1.309","","","","has coordinates","272494","2022-02-03","22:54:03",""
"4004061","9.392","0.0004","8.6729","0.0003","23.2152","0.0009","90","","94.5715","0.0013","90","","1885","0.13","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H20 I4 N2 O2 Pb -","- C8 H20 I4 N2 O2 Pb -","- C32 H80 I16 N8 O8 Pb4 -","4","0.5","","Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning","Chemistry of Materials","2022","34","2","756","767","10.1021/acs.chemmater.1c03564","","","0.71073","MoKα","","0.0248","0.0248","","0.0583","0.0583","0.0583","","","","","","1.0399","","","","has coordinates","272496","2022-02-03","22:54:26",""
"4004062","8.1767","0.0003","8.7039","0.0004","16.5225","0.0007","90","","90","","90","","1175.89","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 I3 N O Pb -","- C4 H10 I3 N O Pb -","- C16 H40 I12 N4 O4 Pb4 -","4","1","","Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning","Chemistry of Materials","2022","34","2","756","767","10.1021/acs.chemmater.1c03564","","","0.71073","MoKα","","0.0235","0.0235","","0.0513","0.0513","0.0513","","","","","","1.0209","","","","has coordinates","272498","2022-02-03","22:54:53",""
"4004063","10.906","0.003","5.7031","0.0019","15.132","0.004","90","","90","","90","","941.2","0.5","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C1.14 H1.43 N0.86 -","- C1.14286 H1.42857 N0.857143 -","- C32 H40 N24 -","28","3.5","","Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming","Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−","Chemistry of Materials","2022","34","4","1976","1984","10.1021/acs.chemmater.2c00002","","","0.71073","MoKα","","0.0747","0.0505","","","0.1085","0.1193","","","","","","1.107","","","","has coordinates","273277","2022-03-03","22:42:22",""
"4004064","4.536","0.0004","17.4264","0.0016","4.7517","0.0004","90","","95.35","0.004","90","","373.97","0.06","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C2 H4 N1.5 O1.5 P0.5 -","- C2 H4 N1.5 O1.5 P0.5 -","- C8 H16 N6 O6 P2 -","4","2","","Zhang, Zi-Peng; Liu, Xin; Liu, Xiaomeng; Lu, Zhong-Wei; Sui, Xin; Zhen, Bo-Yu; Lin, Zheshuai; Chen, Ling; Wu, Li-Ming","Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−","Chemistry of Materials","2022","34","4","1976","1984","10.1021/acs.chemmater.2c00002","","","0.71073","MoKα","","0.0349","0.0313","","","0.0711","0.073","","","","","","1.086","","","","has coordinates","273278","2022-03-03","22:42:48",""
"4004065","20.5433","0.0007","9.6018","0.0003","15.8277","0.0004","90","","102.817","0.003","90","","3044.27","0.16","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H22 Cd I4 N4 O2 -","- C24 H22 Cd I4 N4 O2 -","- C96 H88 Cd4 I16 N16 O8 -","4","1","","Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia","A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric","Chemistry of Materials","2022","34","4","1737","1745","10.1021/acs.chemmater.1c03906","","","0.71073","MoKα","","0.0313","0.0298","","","0.0817","0.0827","","","","","","1.127","","","","has coordinates","273279","2022-03-03","22:43:11",""
"4004066","12.4902","0.0012","7.3161","0.0004","13.3109","0.001","90","","106","0.009","90","","1169.22","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br N2 O -","- C12 H11 Br N2 O -","- C48 H44 Br4 N8 O4 -","4","1","","Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia","A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric","Chemistry of Materials","2022","34","4","1737","1745","10.1021/acs.chemmater.1c03906","","","0.71073","MoKα","","0.0784","0.044","","","0.0886","0.0986","","","","","","1.049","","","","has coordinates","273280","2022-03-03","22:43:38",""
"4004067","12.5159","0.0002","7.5277","0.0001","13.7218","0.0002","90","","106.358","0.002","90","","1240.48","0.03","297.89","0.1","297.89","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 I N2 O -","- C12 H11 I N2 O -","- C48 H44 I4 N8 O4 -","4","1","","Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia","A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric","Chemistry of Materials","2022","34","4","1737","1745","10.1021/acs.chemmater.1c03906","","x-ray","1.54184","CuKα","","0.0272","0.026","","","0.0693","0.0699","","","","","","1.07","","","","has coordinates","273281","2022-03-03","22:43:59",""
"4004068","9.2789","0.0004","9.3226","0.0004","16.7163","0.0006","97.28","0.003","90.319","0.003","94.783","0.004","1429.18","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br4 Cd N4 O2 -","- C24 H22 Br4 Cd N4 O2 -","- C48 H44 Br8 Cd2 N8 O4 -","2","1","","Lv, Hui-Peng; Xu, Zhe-Kun; Yu, Hang; Huang, Chao-Ran; Wang, Zhong-Xia","A Photochromic Organic–Inorganic Hybrid Schiff Base Metal Halide Ferroelectric","Chemistry of Materials","2022","34","4","1737","1745","10.1021/acs.chemmater.1c03906","","","0.71073","MoKα","","0.1532","0.0699","","","0.1527","0.1829","","","","","","0.912","","","","has coordinates","273282","2022-03-03","22:44:20",""
"4004069","16.3428","0.0009","9.061","0.0005","18.5386","0.001","90","","101.743","0.002","90","","2687.8","0.3","190","2","189.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 Br4 N3 Pb -","- C6 H9 Br4 N3 Pb -","- C48 H72 Br32 N24 Pb8 -","8","1","","Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui","Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity","Chemistry of Materials","2022","34","4","1699","1709","10.1021/acs.chemmater.1c03832","","","1.34139","GaKα","","0.0547","0.0523","","","0.1407","0.1436","","","","","","1.156","","","","has coordinates","273283","2022-03-03","22:44:46",""
"4004070","8.7977","0.0016","8.8461","0.0016","9.5142","0.0017","105.05","0.005","96.33","0.005","115.707","0.005","622.8","0.2","190","2","189.99","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Cl4 N3 Pb -","- C6 H9 Cl4 N3 Pb -","- C12 H18 Cl8 N6 Pb2 -","2","1","","Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui","Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity","Chemistry of Materials","2022","34","4","1699","1709","10.1021/acs.chemmater.1c03832","","","1.34139","GaKα","","0.0758","0.0751","","","0.2028","0.2048","","","","","","1.128","","","","has coordinates","273284","2022-03-03","22:45:09",""
"4004071","17.0883","0.0011","9.4534","0.0006","19.6226","0.0012","90","","101.866","0.002","90","","3102.1","0.3","190","2","189.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 I4 N3 Pb -","- C6 H9 I4 N3 Pb -","- C48 H72 I32 N24 Pb8 -","8","1","","Ma, Chuang; Gao, Lili; Xu, Zhuo; Li, Xiaotong; Song, Xin; Liu, Yucheng; Yang, Tinghuan; Li, Haojin; Du, Yachao; Zhao, Guangtao; Liu, Xinmei; Kanatzidis, Mercouri G.; Liu, Shengzhong Frank; Zhao, Kui","Centimeter-Sized 2D Perovskitoid Single Crystals for Efficient X-ray Photoresponsivity","Chemistry of Materials","2022","34","4","1699","1709","10.1021/acs.chemmater.1c03832","","","1.34139","GaKα","","0.1426","0.1397","","","0.3635","0.368","","","","","","1.687","","","","has coordinates","273285","2022-03-03","22:45:33",""
"4004072","5.5884","0.0003","5.5884","0.0003","3.9063","0.0003","90","","90","","120","","105.65","0.011","301","2","301","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ga2 Ir3 La -","- Ga2 Ir3 La -","- Ga2 Ir3 La -","1","0.0416667","","Gui, Xin; Cava, Robert J.","LaIr3Ga2: A Superconductor Based on a Kagome Lattice of Ir","Chemistry of Materials","2022","34","6","2824","2832","10.1021/acs.chemmater.2c00280","","","0.71073","MoKα","","0.0124","0.0124","","","0.0339","0.0339","","","","","","1.182","","","","has coordinates","274279","2022-04-03","21:49:56",""
"4004073","16.1515","0.0003","6.0242","0.0001","20.0589","0.0004","90","","109.261","0.001","90","","1842.48","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N5 -","- C19 H29 N5 -","- C76 H116 N20 -","4","1","","Huang, Xianhui; Shangguan, Zhichun; Zhang, Zhao-Yang; Yu, Chunyang; He, Yixin; Fang, Dong; Sun, Wenjin; Li, Yan-Chun; Yuan, Chenrui; Wu, Si; Li, Tao","Visible-Light-Induced Reversible Photochemical Crystal–Liquid Transitions of Azo-Switches for Smart and Robust Adhesives","Chemistry of Materials","2022","34","6","2636","2644","10.1021/acs.chemmater.1c03881","","","1.54178","CuKα","","0.041","0.0358","","","0.0977","0.102","","","","","","1.049","","","","has coordinates","274280","2022-04-03","21:50:19",""
"4004074","38.6306","0.0011","7.3226","0.0003","7.2843","0.0002","90","","90.585","0.003","90","","2060.45","0.12","173","0.1","173","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H48 Ag Cl8 Fe N4 -","- C32 H48 Ag Cl8 Fe N4 -","- C64 H96 Ag2 Cl16 Fe2 N8 -","2","0.5","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0718","0.0642","","","0.1678","0.1769","","","","","","1.053","","","","has coordinates,has disorder","274281","2022-04-03","21:50:45",""
"4004075","7.7313","0.0001","35.4619","0.0005","7.7347","0.0001","90","","90.807","0.001","90","","2120.39","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H56 Ag Cl8 Fe N4 -","- C36 H56 Ag Cl8 Fe N4 -","- C72 H112 Ag2 Cl16 Fe2 N8 -","2","1","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0843","0.0788","","","0.2069","0.2116","","","","","","1.029","","","","has coordinates","274282","2022-04-03","21:51:16",""
"4004076","7.25334","0.0001","39.2496","0.0006","7.18736","0.0001","90","","90.6398","0.0013","90","","2046.05","0.05","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cl8 Fe N4 Na -","- C32 H48 Cl8 Fe N4 Na -","- C64 H96 Cl16 Fe2 N8 Na2 -","2","0.5","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0488","0.0446","","","0.1184","0.1231","","","","","","1.013","","","","has coordinates,has disorder","274283","2022-04-03","21:51:38",""
"4004077","7.7161","0.0005","7.8117","0.0007","9.3428","0.0007","102.735","0.007","91.155","0.006","90.898","0.006","549.06","0.07","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 In N4 -","- C8 H28 Ag Cl8 In N4 -","- C8 H28 Ag Cl8 In N4 -","1","0.5","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0335","0.0311","","","0.0972","0.0997","","","","","","1.018","","","","has coordinates","274284","2022-04-03","21:52:01",""
"4004078","7.5923","0.0005","10.8224","0.0007","13.3237","0.0007","76.162","0.005","89.632","0.005","89.618","0.005","1062.96","0.12","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Ag Cl8 Fe N4 -","- C8 H28 Ag Cl8 Fe N4 -","- C16 H56 Ag2 Cl16 Fe2 N8 -","2","1","","Xue, Jie; Wang, Ziyu; Comstock, Andrew; Wang, Zhiyu; Sung, Herman H. Y.; Williams, Ian D.; Sun, Dali; Liu, Junwei; Lu, Haipeng","Chemical Control of Magnetic Ordering in Hybrid Fe–Cl Layered Double Perovskites","Chemistry of Materials","2022","34","6","2813","2823","10.1021/acs.chemmater.2c00163","","x-ray","1.54184","CuKα","","0.0513","0.0421","","","0.1104","0.1181","","","","","","1.055","","","","has coordinates","274285","2022-04-03","21:52:22",""
"4004079","7.94578","0.00012","5.1687","0.00007","15.1654","0.0002","89.848","0.0016","93.6133","0.0009","89.9481","0.0016","621.593","0.015","","","","","","","","","","","","5","P -1","-P 1","2","JBW_dehydrated","","","- Al3 K Na2 O12 Si3 -","- Al3 K Na2 O12 Si3 -","- Al6 K2 Na4 O24 Si6 -","2","1","","Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E.","HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility","Chemistry of Materials","2022","34","","7159","","","","","","","","","","","","","","","","","","","","","","","has coordinates","278563","2022-10-13","20:00:14",""
"4004080","15.1422","0.0001","8.125613","0.000064","5.176215","0.000036","90","","90","","90","","636.88","0.008","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","JBW_hydrated","","","- Al3 K Na2 O12 Si3 -","- Al3 K Na2 O12.7762 Si3 -","- Al6 K2 Na4 O25.5524 Si6 -","2","0.5","","Asselman, K.; Radhakrishnan, S.; Pellens, N.; Vinod Chandran, C.; Houlleberghs, M.; Xu, Y.; Martens, J. A.; Breynaert, E.","HSIL-Based Synthesis of Ultracrystalline K,Na-JBW, a Zeolite Exhibiting Exceptional Framework Ordering and Flexibility","Chemistry of Materials","2022","34","","7159","","","","","","","","","","","","","","","","","","","","","","","has coordinates","278564","2022-10-13","20:00:30",""
"4004081","4.11724","0.00008","4.11724","0.00008","24.0408","0.0005","90","","90","","120","","352.933","0.012","293","2","293","3","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Cs Gd S2 -","- Cs Gd S2.00012 -","- Cs3 Gd3 S6.00036 -","3","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","15.4216","","","","","","","","has coordinates","281151","2023-02-27","10:50:57",""
"4004082","4.11494","0.00016","4.11494","0.00016","16.0144","0.0007","90","","90","","120","","234.838","0.016","293","2","293","3","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cs Gd S2 -","- Cs Gd S2.00012 -","- Cs2 Gd2 S4.00024 -","2","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","24.0632","","","","","","","","has coordinates","281152","2023-02-27","10:53:48",""
"4004083","3.8535","0.0002","3.8535","0.0002","6.6663","0.0006","90","","90","","120","","85.729","0.01","293","2","293","3","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Gd2 O2 S -","- Gd2 O2 S -","- Gd2 O2 S -","1","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","33.4298","","","","","","","","has coordinates","281153","2023-02-27","10:55:16",""
"4004084","10.8113","0.0002","10.8113","0.0002","10.8113","0.0002","90","","90","","90","","1263.67","0.04","293","2","293","3","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- Gd2 O3 -","- Gd2.00006 O3.00012 -","- Gd32.001 O48.0019 -","16","0.333333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","25.5494","","","","","","","","has coordinates","281154","2023-02-27","10:57:11",""
"4004085","7.3424","0.0003","3.93196","0.00014","15.2841","0.0006","90","","90","","90","","441.25","0.03","293","2","293","3","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd2 S3 -","- Gd2 S3 -","- Gd8 S12 -","4","0.5","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","26.8009","","","","","","","","has coordinates","281155","2023-02-27","11:00:18",""
"4004086","8.7147","0.0002","8.7147","0.0002","15.8569","0.0005","90","","90","","90","","1204.27","0.05","293","2","293","3","","","","","","","","2","P 42/n :2","-P 4bc","86","","","","- Gd10 S19 -","- Gd9.481 S19.1866 -","- Gd18.962 S38.3732 -","2","0.25","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","10.0431","","","","","","","","has coordinates","281156","2023-02-27","11:00:59",""
"4004087","4.07711","0.00013","4.07711","0.00013","21.917","0.0008","90","","90","","120","","315.513","0.018","293","2","293","3","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Gd K S2 -","- Gd K S2.00012 -","- Gd3 K3 S6.00036 -","3","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","21.5299","","","","","","","","has coordinates","281157","2023-02-27","11:01:51",""
"4004088","5.52988","0.00005","5.52988","0.00005","5.52988","0.00005","90","","90","","90","","169.101","0.003","293","2","293","3","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Gd Li S2 -","- Gd0.99952 Li0.99952 S2 -","- Gd1.99904 Li1.99904 S4 -","2","0.0104167","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","6.0942","","","","","","","","has coordinates","281158","2023-02-27","11:02:52",""
"4004089","4.01349","0.00005","4.01349","0.00005","19.9189","0.0004","90","","90","","120","","277.869","0.007","293","2","293","3","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Gd Na S2 -","- Gd Na S2.00012 -","- Gd3 Na3 S6.00036 -","3","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","7.2699","","","","","","","","has coordinates","281159","2023-02-27","11:03:32",""
"4004090","4.09729","0.00009","4.09729","0.00009","22.874","0.0007","90","","90","","120","","332.557","0.015","293","2","293","3","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Gd Rb S2 -","- Gd Rb S2.00012 -","- Gd3 Rb3 S6.00036 -","3","0.0833333","","Delacotte, C.; Pomelova, T.A.; Stephant, T.; Guizouarn, T.; Cordier, S.; Naumov, N.G.; Lemoine, P.","'NaGdS2: a promising sulfide for cryogenic magnetic cooling'","Chemistry of Materials","2022","34","4","1829","1837","10.1021/acs.chemmater.1c04105","powder diffraction","","","X-ray","","","","","","","","","17.7168","","","","","","","","has coordinates","281160","2023-02-27","11:04:20",""
"4004091","13.9144","0.0004","8.3502","0.0003","5.0557","0.0002","90","","90","","90","","587.41","0.04","294","2","294","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu2 O7 Si2 -","- Eu2 O7 Si2 -","- Eu8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.016","0.0151","","","0.0336","0.0341","","","","","","1.246","","","","has coordinates","282895","2023-04-28","08:40:08",""
"4004092","13.85","0.004","8.291","0.002","5.0507","0.0013","90","","90","","90","","580","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Gd2 O7 Si2 -","- Gd2 O7 Si2 -","- Gd8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0743","0.0361","","","0.0595","0.0713","","","","","","1.063","","","","has coordinates","282896","2023-04-28","08:45:19",""
"4004093","13.817","0.006","8.244","0.004","5.0348","0.0018","90","","90","","90","","573.5","0.4","295","2","295","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- O7 Si2 Tb2 -","- O7 Si2 Tb2 -","- O28 Si8 Tb8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0284","0.0256","","","0.0563","0.0573","","","","","","1.355","","","","has coordinates","282897","2023-04-28","08:46:37",""
"4004094","13.725","0.0005","8.2019","0.0002","5.03","0.0002","90","","90","","90","","566.23","0.03","294","2","294","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Dy2 O7 Si2 -","- Dy2 O7 Si2 -","- Dy8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0216","0.0211","","","0.0411","0.0414","","","","","","1.453","","","","has coordinates","282898","2023-04-28","08:48:00",""
"4004095","13.6575","0.0008","8.1544","0.0005","5.0191","0.0004","90","","90","","90","","558.97","0.07","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ho2 O7 Si2 -","- Ho2 O7 Si2 -","- Ho8 O28 Si8 -","4","0.5","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0441","0.0263","","","0.0481","0.0524","","","","","","1.042","","","","has coordinates","282899","2023-04-28","08:50:18",""
"4004096","5.3877","0.0002","8.5212","0.0004","12.8536","0.0006","90.422","0.004","91.616","0.004","92.247","0.004","589.4","0.04","299","2","299","2","","","","","","","","3","P -1","-P 1","2","","","","- Eu2 O7 Si2 -","- Eu2 O7 Si2 -","- Eu8 O28 Si8 -","4","2","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0678","0.0549","","","0.1601","0.1668","","","","","","1.089","","","","has coordinates","282900","2023-04-28","08:52:38",""
"4004097","5.381","0.0009","8.537","0.0014","12.855","0.002","90.173","0.004","90.746","0.004","91.451","0.004","590.29","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- O7 Si2 Sm2 -","- O7 Si2 Sm2 -","- O28 Si8 Sm8 -","4","2","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.1234","0.0718","","","0.1512","0.1846","","","","","","1.031","","","","has coordinates","282901","2023-04-28","09:10:28",""
"4004098","5.4134","0.0001","8.799","0.0003","13.1858","0.0004","90","","90.515","0.002","90","","628.05","0.03","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- La2 O7 Si2 -","- La2 O7 Si2 -","- La8 O28 Si8 -","4","1","","Chen, Pengyun; Zhou, Yuqiao; He, Jin; Jiang, Wei; Li, Junhao; Ni, Haiyong; Zhang, Qiuhong; Lin, Litian","On the Crystal Chemistry of RE2Si2O7: Revisited Structures, Group–Subgroup Relationship, and Insights of Ce3±Activated Radioluminescence","Chemistry of Materials","2023","35","6","2635","2646","10.1021/acs.chemmater.3c00245","","","0.71073","MoKα","","0.0289","0.0257","","","0.0567","0.0581","","","","","","1.065","","","","has coordinates","282902","2023-04-28","09:13:14",""
"5000177","6.1664","0.0001","8.8366","0.0003","11.5435","0.0004","90","","103.39","0.001","90","","611.91","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","","Kulkarni, G. U.; Kumaradhas, P.; Rao, C. N. R.","Charge Density Study of the Polymorphs of p-Nitrophenol","Chemistry of Materials","1998","10","","3498","3505","10.1021/cm980277m","","","","","","","","","","","","","","","","","","","","","has coordinates","178248","2020-10-21","18:00:00",""
"6000035","12.998","0.002","7.5014","0.0003","15.156","0.003","90","","105.8","0.03","90","","1420.8","0.7","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cs2 O15 Si6 Ti -","- Cs2 O15 Si6 Ti -","- Cs8 O60 Si24 Ti4 -","4","1","","Nyman, M.; Bonhomme, F.; Teter, D. M.; Maxwell, R. S.; Gu, B. X.; Wang, L. M.; Ewing, R. C.; Nenoff, T. M.","Integrated experimental and computational methods for structure determination and characterization of a new, highly stable cesium silicotitanate phase, Cs~2~TiSi~6~O~15~ (SNL-A)","Chemistry of Materials","2000","12","","3449","3458","10.1021/cm000259g","","","","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000060","19.943","","3.2895","","6.2896","","90","","95.746","","90","","410.54","","","","","","","","","","","","","4","C 1 2/m 1","","","","","","- C8 H6 Co2 O6 -","","","","","","Huang, Z. L.; Drillon, M.; Masciocchi, N.; Sironi, A.; Zhao, J. T.; Rabu, P.; Panissod, P.","Ab-initio xrpd crystal structure and giant hysteretic effect (H-c=5.9 T) of a new hybrid terephthalate-based cobalt(II) magnet","Chemistry of Materials","2000","12","","2805","2812","10.1021/cm000386c","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000074","9.537","0.001","29.622","0.003","8.9398","0.0009","90","","121.19","0.04","90","","2160.5","0.3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 O22 Pb2 Zr -","- C8 H12 O22 Pb2 Zr -","- C32 H48 O88 Pb8 Zr4 -","4","0.5","","Boudaren, C.; Auffrédic, J. P.; Louër, M.; Louër, D.","Synthesis, structure determination from powder diffraction data, and thermal behavior of lead zirconium oaxalate hydrate Pb2Zr(C2O4)(4)center dot nH(2)O (3 < n < 9)","Chemistry of Materials","2000","12","","2324","2333","10.1021/cm001063j","","","","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000102","23.1962","","7.2381","","6.9652","","90","","90","","90","","1169.43","","","","","","","","","","","","","6","C m m m","","","","","","- H25 Na O51 Si12 Sr4 Ti5 -","","","","","","Braunbarth, C.; Hillhouse, H. W.; Tsapatsis, M.; Burton, A.; Lobo, R. F.; Jacubinas, R. M.; Kuznicki, S. M.","Structure of strontium ion-exchanged ETS-4 microporous molecular sieves","Chemistry of Materials","2000","12","","1857","1865","10.1021/cm9907211","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000112","8.6826","","13.8828","","16.2484","","90","","90","","90","","1958.56","","","","","","","","","","","","","5","P n m a","","","","","","- Ga10 H38 O83 Si22 Sr5 -","","","","","","Lee, Y. J.; Kim, S. J.; Schoonen, M. A. A.; Parise, J. B.","Structural and Sr2+ ion exchange studies of gallosilicate TsG-1","Chemistry of Materials","2000","12","","1597","1603","10.1021/cm990789g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000286","10.1405","","10.1496","","21.6599","","90","","90","","90","","2229.28","","","","","","","","","","","","","4","P3c&","","","","","","- Ba5 Cu Ir3 O12 -","","","","","","Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.","Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39","Chemistry of Materials","1999","11","","1551","1558","10.1021/cm9807844","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000287","10.1344","","10.1344","","35.0564","","90","","90","","120","","3118.14","","","","","","","","","","","","","4","P 3 2 1","","","","","","- Ba16 Cu3 Ir10 O39 -","","","","","","Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.","Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39","Chemistry of Materials","1999","11","","1551","1558","10.1021/cm9807844","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000288","11.4612","0.0008","11.4612","0.0008","8.904","0.0008","90","","90","","90","","1169.62","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C4 H8 K O12 Y -","- C4 H8 K O12 Y -","- C16 H32 K4 O48 Y4 -","4","0.25","","Bataille, T.; Auffredic, J. P.; Louer, D.","Ab initio structure determination and dehydration dynamics of YK(C2O4)(2).4H(2)O studied by X-ray powder diffraction","Chemistry of Materials","1999","11","","1559","1567","10.1021/cm981155x","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000318","3.7368","","3.7368","","27.086","","90","","90","","90","","378.23","","","","","","","","","","","","","4","I 4/m m m","","","","","","- Ca4 Fe Mn2 O9.75 -","","","","","","Battle, P. D.; Branford, W. R.; Mihut, A.; Rosseinsky, M. J.; Singleton, J.; Sloan, J.; Spring, L. E.; Vente, J. F.","Structural chemistry and electronic properties of the n=3 Ruddlesden-Popper phases Ca4Mn2FeO9.75 and Sr4Mn2FeO9.80","Chemistry of Materials","1999","11","","674","683","10.1021/cm9807384","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000319","3.8339","","3.8339","","27.8148","","90","","90","","90","","408.85","","","","","","","","","","","","","4","I 4/m m m","","","","","","- Fe Mn2 O9.8 Sr4 -","","","","","","Battle, P. D.; Branford, W. R.; Mihut, A.; Rosseinsky, M. J.; Singleton, J.; Sloan, J.; Spring, L. E.; Vente, J. F.","Structural chemistry and electronic properties of the n=3 Ruddlesden-Popper phases Ca4Mn2FeO9.75 and Sr4Mn2FeO9.80","Chemistry of Materials","1999","11","","674","683","10.1021/cm9807384","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000320","3.8128","0.0001","3.8128","0.0001","27.568","0.001","90","","90","","90","","402.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Co La2 O10 Ti3 -","- Co La2 O10 Ti3 -","- Co2 La4 O20 Ti6 -","2","0.0625","","Hyeon, K. A.; Byeon, S. H.","Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)","Chemistry of Materials","1999","11","","352","357","10.1021/cm980581f","","","","","","","","","","","","","","","","","","","","","has coordinates","203340","2020-10-21","18:00:00",""
"6000321","3.8248","0.0002","3.8248","0.0002","26.329","0.001","90","","90","","90","","385.17","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cu La2 O10 Ti3 -","- Cu La2 O10 Ti3 -","- Cu2 La4 O20 Ti6 -","2","0.0625","","Hyeon, K. A.; Byeon, S. H.","Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)","Chemistry of Materials","1999","11","","352","357","10.1021/cm980581f","","","","","","","","","","","","","","","","","","","","","has coordinates","203340","2020-10-21","18:00:00",""
"6000322","3.8127","0.0001","3.8127","0.0001","27.5129","0.0009","90","","90","","90","","399.95","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- La2 O10 Ti3 Zn -","- La2 O10 Ti3 Zn -","- La4 O20 Ti6 Zn2 -","2","0.0625","","Hyeon, K. A.; Byeon, S. H.","Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)","Chemistry of Materials","1999","11","","352","357","10.1021/cm980581f","","","","","","","","","","","","","","","","","","","","","has coordinates","203340","2020-10-21","18:00:00",""
"6000323","18.167","","5.085","","8.658","","90","","93.63","","90","","798.21","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C3 H8 O6 P2 Zn -","","","","","","Poojary, D. M.; Zhang, B. L.; Clearfield, A.","Syntheses and X-ray powder structures of two zinc propylenebis(phosphonates)","Chemistry of Materials","1999","11","2","421","426","10.1021/cm980641h","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000324","20.5853","","5.0472","","18.014","","90","","97.226","","90","","1856.76","","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C6 H18 O14 P4 Zn3 -","","","","","","Poojary, D. M.; Zhang, B. L.; Clearfield, A.","Syntheses and X-ray powder structures of two zinc propylenebis(phosphonates)","Chemistry of Materials","1999","11","2","421","426","10.1021/cm980641h","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000346","5.4897","","5.5195","","7.1758","","90","","90","","90","","217.43","","","","","","","","","","","","","4","I b a m","","","","","","- Ag2 Bi O6 Ti2 -","","","","","","Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.","Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3","Chemistry of Materials","1999","11","","177","183","10.1021/cm9806533","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000347","5.5166","","5.5166","","7.8134","","90","","90","","90","","237.79","","","","573","","","","","","","","","4","I 4/m c m","","","","","","- Ag2 Bi O6 Ti2 -","","","","","","Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.","Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3","Chemistry of Materials","1999","11","","177","183","10.1021/cm9806533","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000348","3.9061","","3.9061","","3.9061","","90","","90","","90","","59.6","","","","673","","","","","","","","","4","P m -3 m","","","","","","- Ag2 Bi O6 Ti2 -","","","","","","Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.","Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3","Chemistry of Materials","1999","11","","177","183","10.1021/cm9806533","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000394","9.526","","9.526","","3.048","","90","","90","","90","","276.59","","","","","","","","","","","","","3","P 4/m b m","","","","","","- B2 Ir5 Sc3 -","","","","","","Nagelschmitz, E. A.; Jung, W.","Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties","Chemistry of Materials","1998","10","","3189","3195","10.1021/cm9802898","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000395","9.27","","9.27","","2.968","","90","","90","","90","","255.05","","","","","","","","","","","","","4","P 4/m b m","","","","","","- B2 Be Ir5 Sc2 -","","","","","","Nagelschmitz, E. A.; Jung, W.","Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties","Chemistry of Materials","1998","10","","3189","3195","10.1021/cm9802898","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000396","9.329","","9.329","","3.103","","90","","90","","90","","270.05","","","","","","","","","","","","","4","P 4/m b m","","","","","","- B2 Ir5 Sc2 Ti -","","","","","","Nagelschmitz, E. A.; Jung, W.","Scandium iridium boride Sc3Ir5B2 and the quaternary derivatives Sc2MIr5B2 with m = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga, or Ge: Preparation, crystal structure, and physical properties","Chemistry of Materials","1998","10","","3189","3195","10.1021/cm9802898","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000397","6.914","","6.914","","17.246","","90","","90","","90","","824.42","","","","","","","","","","","","","4","I 41/a m d","","","","","","- H5 Ho O10 S2 -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000398","6.8967","","6.8967","","17.166","","90","","90","","90","","816.49","","","","","","","","","","","","","4","I 41/a m d","","","","","","- Er H5 O10 S2 -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000399","6.8875","","6.8875","","17.159","","90","","90","","90","","813.98","","","","","","","","","","","","","4","I 41/a m d","","","","","","- H5 O10 S2 Y -","","","","","","Wickleder, M. S.","Synthesis, crystal structure, and thermal behavior of the rare earth sulfates (H5O2)M(SO4)(2) (M = Ho, Er, Y)","Chemistry of Materials","1998","10","","3212","3216","10.1021/cm980301w","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000410","5.9985","","7.0711","","7.414","","90","","90","","90","","314.47","","","","","","","","","","","","","3","P n n m","","","","","","- C4 Co N6 -","","","","","","Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.","Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)","Chemistry of Materials","1998","10","","2552","2560","10.1021/cm980321y","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000411","5.9736","","7.032","","7.2942","","90","","90","","90","","306.4","","","","","","","","","","","","","3","P n n m","","","","","","- C4 N6 Ni -","","","","","","Manson, J. L.; Kmety, C. R.; Huang, Q. Z.; Lynn, J. W.; Bendele, G. M.; Pagola, S.; Stephens, P. W.; Liable-Sands, L. M.; Rheingold, A. L.; Epstein, A. J.; Miller, J. S.","Structure and magnetic ordering of M-II[N(CN)(2)](2) (M = Co, Ni)","Chemistry of Materials","1998","10","","2552","2560","10.1021/cm980321y","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000469","8.229","","9.739","","9.754","","60.74","","72.36","","84.67","","648.47","","","","","","","","","","","","","6","P -1","","","","","","- C7 H6 K8 N O11 Y -","","","","","","Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.","Three-dimensional yttrium oxalates possessing large channels","Chemistry of Materials","2001","13","","185","191","10.1021/cm000419o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000470","11.552","","17.168","","8.719","","90","","130.64","","90","","1312.14","","","","","","","","","","","","","5","C 1 c 1","","","","","","- C9 H12 N2 O8 Y -","","","","","","Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.","Three-dimensional yttrium oxalates possessing large channels","Chemistry of Materials","2001","13","","185","191","10.1021/cm000419o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000505","8.642","","19.346","","7.114","","90","","90","","90","","1189.38","","","","","","","","","","","","","7","P b c m","","","","","","- C3 H14 F Ga N2 O8 P2 -","","","","","","Walton, R. I.; Millange, F.; O'hare, D.; Paulet, C.; Loiseau, T.; Ferey, G.","Synthesis, structures, and reactivity of two compounds containing the tancoite-like [Ga(HPO4)(2)F](2-)(infinity) chain","Chemistry of Materials","2000","12","","1977","1984","10.1021/cm000195+","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000516","12.9207","","6.44","","10.4147","","90","","90","","90","","866.6","","303","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F Ga H4 N O4 P -","- F2 Ga2 N2 O8 P2 -","- F8 Ga8 N8 O32 P8 -","4","1","","Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G.","Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type","Chemistry of Materials","2000","12","5","1393","1399","10.1021/cm991177z","","","","","","","","","","","","","","","","","","","","","has coordinates","132296","2020-10-21","18:00:00",""
"6000517","12.4967","","7.7015","","9.8463","","90","","90","","90","","947.64","","303","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F3 Ga2 H9 N2 O8 P2 -","- F3 Ga2 N2 O8 P2 -","- F12 Ga8 N8 O32 P8 -","4","1","","Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G.","Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type","Chemistry of Materials","2000","12","5","1393","1399","10.1021/cm991177z","","","","","","","","","","","","","","","","","","","","","has coordinates","132296","2020-10-21","18:00:00",""
"6000610","11.037","","5.971","","19.703","","90","","101.46","","90","","1272.58","","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- Bi Ca3 O22 Sr8 -","","","","","","Luhrs, C. C.; Molins, E.; Van, Tendeloo G; Beltran-Porter, D.; Fuertes, A.","Crystal structure of Bi6Sr8-xCa3+xO22 (-0.5 <= x <= 1.7): a mixed valence bismuth oxide related to perovskite","Chemistry of Materials","1998","10","","1875","1881","10.1021/cm9800377","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000662","8.8212","","9.2173","","5.4772","","102.622","","97.748","","102.459","","416.53","","","","","","","","","","","","","3","P -1","","","","","","- O10 P2 U2 -","","","","","","Benard, P.; Louer, D.; Dacheux, N.; Brandel, V.; Genet, M.","U(UO2)((PO4)2, a new mixed-valence uranium orthophosphate - ab-initio structure determination from powder diffraction data and optical and X-RAY photoelectro spectra","Chemistry of Materials","1994","6","","1049","1058","10.1021/cm00043a029","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000663","19.549","","19.549","","19.549","","90","","90","","90","","7470.91","","","","","","","","","","","","","5","P43-n","","","","","","- C16 H48 Ge4 N4 S10 -","","","","","","Pivan, J. Y.; Achak, O.; Louer, M.; Louer, D.","The novel thiogermanate [(CH3)4N]4GE4S10 with a high cubic cell-volume - ab-initio structure determination from conventional X-ray-powder diffraction","Chemistry of Materials","1994","6","","827","830","10.1021/cm00042a021","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000667","12.8646","","10.4374","","7.0676","","90","","90","","90","","948.99","","","","","","","","","","","","","3","P c a m","","","","","","- O23 P6 Th4 -","","","","","","Benard, P.; Brandel, V.; Dacheux, N.; Jaulmes, S.; Launay, S.; Lindecker, C.; Genet, M.; Louer, D.; Quarton, M.","Th-4(PO4)(4)P2O7, a new thorium phosphate: Synthesis, characterization, and structure determination","Chemistry of Materials","1996","8","","181","188","10.1021/cm950302d","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000683","12.27","","12.27","","11.04","","90","","90","","90","","1662.1","","","","","","","","","","","","","3","","","","","","","- Bi17 O33 V3 -","","","","","","Pang, G. S.; Feng, S. H.; Tang, Y. C.; Tan, C. H.; Xu, R. R.","Hydrothermal synthesis, characterization, and ionic conductivity of vanadium-stabilized Bi~17~V~3~O~33~ with fluorite-related superlattice structure","Chemistry of Materials","1998","10","","2446","2449","10.1021/cm9801284","","","","","","","","","","","","","","","","","","","","","","203841","2020-10-21","18:00:00",""
"6000735","17.4705","","6.7541","","8.0252","","90","","102.019","","90","","926.2","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- K O12 P3 U2 -","","","","","","Hawkins, H. T.; Spearing, D. R.; Veirs, D. K.; Danis, J. A.; Smith, D. M.; Tait, C. D.; Runde, W. H.; Spilde, M. N.; Scheetz, B. E.","Synthesis and characterization of uranium(IV)-bearing members of the [NZP] structural family","Chemistry of Materials","1999","11","","2851","2857","10.1021/cm990209f","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"9012813","14.42","","9.87","","23.33","","90","","105.92","","90","","3193.1","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Al Ge H4 K0.9 Na0.1 O5.666 -","- Al Ge H3.332 K0.9 Na0.1 O5.666 -","- Al24 Ge24 H79.968 K21.6 Na2.4 O135.984 -","24","3","","Celestian, A. J.; Parise, J. B.; Goodell, C.; Tripathi, A.; Hanson, J.","Time-resolved diffraction studies of ion exchange: K(+) and Na(+) exchange into (Al,Ge) gismondine (GIS)Na24Al24Ge24O96*40(H2O) and K8Al8Ge8O32*8(H2O)","Chemistry of Materials","2004","16","","2244","2254","10.1021/cm034746i","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012923","8.603","","15.476","","16.504","","90","","96.877","","90","","2181.53","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H18 N4 O21 P4 Sc3 -","- C5 H18 N4 O21 P4 Sc3 -","- C20 H72 N16 O84 P16 Sc12 -","4","1","","Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.","Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks","Chemistry of Materials","2003","15","","3818","3825","10.1021/cm030306f","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9014369","10.6772","","10.6772","","11.885","","90","","90","","90","","1354.92","","","","","","","","","","","","Synthetic","4","P 42/m b c","-P 4c 2ab","135","","","Sitinakite","- Na11 O14 Si4 Ti4 -","- Na44 O56 Si16 Ti16 -","- Na44 O56 Si16 Ti16 -","","","","Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.","Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 573 K dehydrated sample","Chemistry of Materials","2010","22","","4222","4231","10.1021/cm100727h","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014483","5.5625","","15.5495","","5.5138","","90","","90","","90","","476.911","","","","","","","","","","","","Synthetic","3","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb O3 -","- Na8 Nb8 O24 -","- Na8 Nb8 O24 -","","","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.00","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014531","5.5428","","15.5632","","5.5094","","90","","90","","90","","475.261","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.9 O2.95 Ti0.1 -","- Na8 Nb7.2 O23.6004 Ti0.8 -","- Na8 Nb7.2 O23.6004 Ti0.8 -","","","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.1","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014797","9.05294","","9.05294","","9.05294","","90","","90","","90","","741.94","","","","","","","","","","","","Synthetic","3","I m -3","-I 2 2 3","204","","","Kieftite","- Co4 In0.2 Sb12 -","- Co8 In0.4 Sb24 -","- Co8 In0.4 Sb24 -","","","","He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A.","Thermoelectric properties of indium-filled skutterudites","Chemistry of Materials","2006","18","","759","762","10.1021/cm052055b","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015148","5.5396","","15.5705","","5.5087","","90","","90","","90","","475.149","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.85 O2.925 Ti0.15 -","- Na8 Nb6.8 O23.4 Ti1.2 -","- Na8 Nb6.8 O23.4 Ti1.2 -","","","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.15","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015824","5.5303","","15.5677","","5.5072","","90","","90","","90","","474.137","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.8 O2.9 Ti0.2 -","- Na8 Nb6.4 O23.1996 Ti1.6 -","- Na8 Nb6.4 O23.1996 Ti1.6 -","","","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016099","7.8099","","7.8099","","11.956","","90","","90","","90","","729.251","","","","","","","","","","","","Synthetic","5","P 42/m c m","-P 4c 2c","132","","","Sitinakite","- D4 Na3 O10 Si Ti2 -","- D16 Na12 O40 Si4 Ti8 -","- D16 Na12 O40 Si4 Ti8 -","","","","Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.","Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 298 K with neutron","Chemistry of Materials","2010","22","","4222","4231","10.1021/cm100727h","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016155","7.88","","7.88","","11.953","","90","","90","","90","","742.214","","","","","","","","","","","","Synthetic","5","P 42/m c m","-P 4c 2c","132","","","Sitinakite","- D4 Na O9 Si Ti2 -","- D16 Na4 O36 Si4 Ti8 -","- D16 Na4 O36 Si4 Ti8 -","","","","Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V.","Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 20 K with neutron","Chemistry of Materials","2010","22","","4222","4231","10.1021/cm100727h","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016224","5.5528","","15.5597","","5.514","","90","","90","","90","","476.409","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.95 O2.975 Ti0.05 -","- Na8 Nb7.6 O23.7996 Ti0.4 -","- Na8 Nb7.6 O23.7996 Ti0.4 -","","","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.05","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017400","6.93145","","6.93145","","12.73617","","90","","90","","120","","529.929","","","","","","","","","","","","Synthetic","3","P 31","P 31","144","","","","- Ca2 O9 S2 -","- Ca6 O27 S6 -","- Ca6 O27 S6 -","","","","Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T.","Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4","Chemistry of Materials","2008","20","","2124","2132","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:59",""
"9017401","6.96895","","6.96865","","6.30044","","90","","90","","120","","264.983","","","","","","","","","","","","Synthetic","3","P 62 2 2","P 62 2 (0 0 4)","180","","","Anhydrite (soluble)","- Ca O4 S -","- Ca3 O12 S3 -","- Ca3 O12 S3 -","","","","Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T.","Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4","Chemistry of Materials","2008","20","","2124","2132","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:59",""