# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-02T20:31:35+01:00
# 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 volume = 12 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
"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",""
"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",""
"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",""
"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",""