# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T17:16:55+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 41 2 2' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000123","9.539","0.0003","9.539","0.0003","17.1411","0.0005","90","","90","","90","","1559.7","","","","","","","","","","","","","4","P 41 2 2","P 4w 2c","91","","Iron vanadium molybdenum oxide (4/1.98/3.02/20)","","- Fe4 Mo3.02 O20 V1.98 -","- Fe4 Mo3.02 O20 V1.98 -","- Fe16 Mo12.08 O80 V7.92 -","4","0.5","","Laligant, Y; Permer, L; Le Bail, A","Crystal structure of Fe4 V2 Mo3 O20 determined from conventional X-ray powder diffraction data","European Journal of Solid State Inorganic Chemistry","1995","32","","325","334","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1517086","19.4695","0.001","19.4695","0.001","26.58","0.002","90","","90","","90","","10075.5","1.1","170","2","170","2","","","","","","","","3","P 41 2 2","P 4w 2c","91","2","1,10-dihydroxybicyclo[8.8.8] hexacosane","","- C26 H50 O2 -","- C26 H50 O2 -","- C416 H800 O32 -","16","2","","Jones, Ian W.; Monguchi, Yasunari; Dawson, Alice; Carducci, Michael D.; Mash, Eugene A.","Synthesis of 1,10-dimethylbicyclo[8.8.8]hexacosane and 1,10-dihydroxybicyclo[8.8.8]hexacosane.","Organic letters","2005","7","14","2841","2843","10.1021/ol050714k","","","0.71073","MoKα","","0.147","0.0945","","","0.2439","0.3052","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1527272","6.045","","6.045","","8.29","","90","","90","","90","","302.933","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","Li2 Te O4","","- Li2 O4 Te -","- Li2 O4 Te -","- Li8 O16 Te4 -","4","0.5","","Daniel, F.; Moret, J.; Maurin, M.; Philippot, E.","Etude structurale de Li2 Te O4. Coordination du tellure VI et du lithium par les atomes d'oxygene","Journal of Solid State Chemistry","1977","22","","113","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531066","12.634","","12.634","","26.608","","90","","90","","90","","4247.12","","","","","","","","","","","","","6","P 41 2 2","P 4w 2c","91","","Ca4.84 Mg0.64 (Al10.96 Si53.04 O128) (H2 O)33.36","","- Al10.96 Ca4.84 H66.72 Mg0.64 O161.36 Si53.04 -","- Al10.96 Ca4 Mg0.64 O161.36 Si53.04 -","- Al10.96 Ca4 Mg0.64 O161.36 Si53.04 -","1","0.125","","Alberti, A.; Zanardi, S.; Cruciani, G.; Galli, E.; Quartieri, S.; Vezzalini, G.; Merlino, S.; Millini, R.","Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta","J. Phys. Chem. B","2002","106","","10277","10284","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535560","7.37","","7.37","","17.937","","90","","90","","90","","974.282","","","","","","","","","","","","","4","P 41 2 2","P 4w 2c","91","","Sr2 (H2 F3) (H F2)2 (P F6)","","- F13 H4 P Sr2 -","- F13 H4 P Sr2 -","- F52 H16 P4 Sr8 -","4","0.5","","Tramsek, M.; Tavcar, G.; Benkic, P.; Bunic, T.; Zemva, B.","Alkaline earth metal poly(hydrogenfluorides) hexafluoroarsenates(V) and hexafluorophosphates(V): M2(H2F3)(HF2)(AF6) (M = Ca, A = As; M = Sr, A = As, P)","Journal of Fluorine Chemistry","2005","126","","1088","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1547127","14.396","0.002","14.396","0.002","68.44","0.009","90","","90","","90","","14184","3","100","","100","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C64 H41 F12 N7 O10 -","- C64 H37 F12 N7 O10 -","- C512 H296 F96 N56 O80 -","8","1","","Ema, Tadashi; Yokoyama, Maki; Watanabe, Sagiri; Sasaki, Sota; Ota, Hiromi; Takaishi, Kazuto","Chiral Macrocyclic Organocatalysts for Kinetic Resolution of Disubstituted Epoxides with Carbon Dioxide.","Organic letters","2017","19","15","4070","4073","10.1021/acs.orglett.7b01838","","","0.71075","MoKα","","0.1606","0.1474","","","0.3265","0.3382","","","","","","1.17","","","","has coordinates","200645","2020-10-21","18:00:00",""
"1558323","21.7573","0.0004","21.7573","0.0004","20.5483","0.0005","90","","90","","90","","9727.2","0.3","150","2","150.15","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C42 H36 Co N14 S2 -","- C42 H36 Co N14 S2 -","- C336 H288 Co8 N112 S16 -","8","1","","Zaworotko, Michael; Kumar, Naveen; Chang, Ze; Yu, Mei-Hui; Kumar, Amrit; O’Nolan, Daniel; Bu, Xian-He; Patyk-Kaźmierczak, Ewa; Bezrukov, Andrey A.; Mukherjee, Soumya; Wang, Shi-Qiang","Crystal engineering of a rectangular sql coordination network to enable xylenes selectivity over ethylbenzene","Chemical Science","2020","","","","","10.1039/D0SC02123G","","","1.54178","CuKα","","0.1583","0.1192","","","0.2673","0.2908","","","","","","1.066","","","","has coordinates,has disorder","253188","2020-10-21","18:00:00",""
"1560217","9.0201","0.0009","9.0201","0.0009","49.382","0.007","90","","90","","90","","4017.8","0.8","93","2","93","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C28.5 H16.5 Cl1.5 O -","- C28.5 H16.5 Cl1.5 O -","- C228 H132 Cl12 O8 -","8","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54187","CuKα","","0.0888","0.0853","","","0.2422","0.2449","","","","","","1.002","","","","has coordinates,has disorder","263683","2021-04-05","14:19:04",""
"2014613","7.0082","0.0004","7.0082","0.0004","8.6518","0.0007","90","","90","","90","","424.93","0.05","293","2","293","2","","","","","","","","3","P 41 2 2","P 4w 2c","91","silver ruthenate(V)","Trisilver oxoruthenate(V)","","- Ag3 O4 Ru -","- Ag3 O4 Ru -","- Ag12 O16 Ru4 -","4","0.5","BC1060","Klein, Wilhelm; Jansen, Martin","Trisilver oxoruthenate(V), Ag~3~RuO~4~","Acta Crystallographica Section C","2005","61","1","i1","i2","10.1107/S0108270104030082","","","0.71073","MoKα","","0.0318","0.0311","","","0.0762","0.0776","","","","","","1.372","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019406","10.604","0.001","10.604","0.001","39.96","0.009","90","","90","","90","","4493.3","1.2","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","Bis(dicyclohexylammonium) 2,4-dichlorophenolate 2,4,6-trichlorophenolate 2,4-dichlorophenol","","- C42 H57 Cl7 N2 O3 -","- C42 H57 Cl7 N2 O3 -","- C168 H228 Cl28 N8 O12 -","4","0.5","EM3064","Cai, Xiao-Qing; Jin, Zhi Min","A hydrogen-bonded three-component complex: bis(dicyclohexylammonium) 2,4-dichlorophenolate 2,4,6-trichlorophenolate 2,4-dichlorophenol","Acta Crystallographica Section C","2014","70","2","207","209","10.1107/S2053229613033810","","","0.71073","MoKα","","0.064","0.0579","","","0.1447","0.1461","","","","","","1.099","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2105432","8.56","","8.56","","13.2","","90","","90","","90","","967.212","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","Ba B8 O13","","- B8 Ba O13 -","- B8 Ba O13 -","- B32 Ba4 O52 -","4","0.5","","Ihara, M.; Krogh-Moe, J.","On the crystal structure of barium tetraborate, Ba O (B2 O3)4","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2153","2154","10.1107/S0567740869005279","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310103","8.768","","8.768","","15.79","","90","","90","","90","","1213.9","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","Cs2 O (B2 O3)9","","- B18 Cs2 O28 -","- B18 Cs2 O28 -","- B36 Cs4 O56 -","2","0.25","","Ihara, M.; Krogh-Moe, J.","The crystal structure of cesium enneaborate, Cs2 O (B2 O3)9","Acta Crystallographica (1,1948-23,1967)","1967","23","","427","430","10.1107/S0365110X67002907","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","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",""
"4030940","6.0818","0.0009","6.0818","0.0009","8.3818","0.0017","90","","90","","90","","310.03","0.09","","","293","","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- Li Nb O4 Zn -","- Li Nb O4 Zn -","- Li4 Nb4 O16 Zn4 -","4","0.5","","Ferriol, M.; Lecocq, S.","Structural characterization of ZnLiNbO~4~","European Journal of Solid State and Inorganic Chemistry","1998","35","10-11","707","714","10.1016/S0992-4361(99)80011-3","","x-ray","0.71073","MoKα","","","0.047","","","0.1242","","","","","","","1.314","","","","has coordinates","182190","2020-10-21","18:00:00",""
"4063933","11.691","0.008","11.691","0.008","34.74","0.03","90","","90","","90","","4748","6","97","2","97","2","","","","","","","","7","P 41 2 2","P 4w 2c","91","","","","- C36 H76 Mg N8 O2 P2 Si2 -","- C36 H76 Mg N8 O2 P2 Si2 -","- C144 H304 Mg4 N32 O8 P8 Si8 -","4","0.5","","Torvisco, Ana; Ruhlandt-Senge, Karin","Ligand and Coligand Effects on Ion Association in Magnesium Amides","Organometallics","2011","30","5","986","","10.1021/om101045b","","","0.71073","MoKα","","0.0893","0.0577","","","0.1159","0.1303","","","","","","0.911","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4101430","18.1536","0.0006","18.1536","0.0006","52.57","0.004","90","","90","","90","","17324.5","1.4","123","2","123","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C117 H239 Cl3 Cu2 N8 O103 -","- C117 H201 Cl3 Cu2 N8 O103 -","- C468 H804 Cl12 Cu8 N32 O412 -","4","0.5","","Fu, Heng; Zhou, Ying-Hua; Chen, Wei-Lin; Deqing, Zhuo-Ga; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan","Complexation, structure, and superoxide dismutase activity of the imidazolate-bridged dinuclear copper moiety with beta-cyclodextrin and its guanidinium-containing derivative.","Journal of the American Chemical Society","2006","128","15","4924","4925","10.1021/ja057717c","","","0.71073","MoKα","","0.2129","0.1479","","","0.3702","0.4194","","","","","","1.41","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4107832","10.2829","0.0003","10.2829","0.0003","14.3687","0.0007","90","","90","","90","","1519.32","0.1","273","2","273","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C11 H10 O7 Tb -","- C11 H10 O7 Tb -","- C44 H40 O28 Tb4 -","4","0.5","","Banglin Chen; Liangbo Wang; Fatima Zapata; Guodong Qian; Emil B. Lobkovsky","A Luminescent Microporous Metal-Organic Framework for the Recognition and Sensing of Anions","Journal of the American Chemical Society","2008","130","","6718","6719","10.1021/ja802035e","","","0.71073","MoKα","","0.0341","0.0286","","","0.0623","0.0638","","","","","","1.066","","","","has coordinates,has disorder","178824","2020-10-21","18:00:00",""
"4108411","13.565","0.005","13.565","0.005","15.503","0.013","90","","90","","90","","2853","3","293","2","293","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C14 H6 In N O8 S2 -","- C14 H4 In N O8 S2 -","- C56 H16 In4 N4 O32 S8 -","4","0.5","","Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu","Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis","Journal of the American Chemical Society","2008","130","","12882","12883","10.1021/ja805272j","","","0.71073","MoKα","","0.0767","0.0488","","","0.1145","0.1259","","","","","","1.024","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108413","13.577","0.0004","13.577","0.0004","15.5394","0.0009","90","","90","","90","","2864.5","0.2","293","2","293","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C14 H6 In N O8 S2 -","- C14 H4 In N O8 S2 -","- C56 H16 In4 N4 O32 S8 -","4","0.5","","Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu","Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis","Journal of the American Chemical Society","2008","130","","12882","12883","10.1021/ja805272j","","","0.71073","MoKα","","0.0507","0.0378","","","0.0992","0.106","","","","","","1.117","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108414","13.51","0.0001","13.51","0.0001","16.0684","0.0003","90","","90","","90","","2932.81","0.06","293","2","293","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C16 H16 In N O8 S2 -","- C16 H8 In N O8 S2 -","- C64 H32 In4 N4 O32 S8 -","4","0.5","","Jian Zhang; Shumei Chen; Tao Wu; Pingyun Feng; Xianhui Bu","Homochiral Crystallization of Microporous Framework Materials from Achiral Precursors by Chiral Catalysis","Journal of the American Chemical Society","2008","130","","12882","12883","10.1021/ja805272j","","","0.71073","MoKα","","0.062","0.0526","","","0.1788","0.1842","","","","","","1.234","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4125292","15.4764","0.0005","15.4764","0.0005","40.5896","0.0019","90","","90","","90","","9722","0.6","100","2","99.99","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C48 H36 Cl2 N4 O10 -","- C48 H36 Cl2 N4 O10 -","- C384 H288 Cl16 N32 O80 -","8","1","","Samanta, Avik; Liu, Zhichang; Nalluri, Siva Krishna Mohan; Zhang, Yu; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Double-Helix Formation by Diastereoisomeric Conformations of Configurationally Enantiomeric Macrocycles.","Journal of the American Chemical Society","2016","138","43","14469","14480","10.1021/jacs.6b09258","","","1.54178","CuKα","","0.1227","0.0768","","","0.2017","0.2251","","","","","","0.954","","","","has coordinates","187911","2020-10-21","18:00:00",""
"4131069","13.2708","0.0004","13.2708","0.0004","14.3502","0.0005","90","","90","","90","","2527.27","0.14","298","2","298","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","Co(bdp)","","","- C12 H8 Co N4 -","- C12 H8 Co N4 -","- C48 H32 Co4 N16 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.","Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2016","138","45","15019","15026","10.1021/jacs.6b09155","","","0.7749","synchrotron","","0.0329","0.0279","","","0.081","0.0836","","","","","","1.128","","","","has coordinates","241372","2020-10-21","18:00:00",""
"4301438","11.9208","0.0016","11.9208","0.0016","27.374","0.003","90","","90","","90","","3890","0.9","298","2","298","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C16 H16 Cu2 I2 N6 -","- C16 H16 Cu2 I2 N6 -","- C128 H128 Cu16 I16 N48 -","8","1","","Man-Cheng Hu; Yan Wang; Quan-Guo Zhai; Shu-Ni Li; Yu-Cheng Jiang; Yong Zhang","Synthesis, Crystal Structures, and Photoluminescent Properties of the Cu(I)/X/α,ω-Bis(benzotriazole)alkane Hybrid Family (X = Cl, Br, I, and CN)","Inorganic Chemistry","2009","48","","1449","1468","10.1021/ic801574k","","","0.71073","MoKα","","0.0864","0.0477","","","0.1034","0.1337","","","","","","1.121","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4308028","17.998","0.0003","17.998","0.0003","25.9577","0.0009","90","","90","","90","","8408.4","0.4","183","2","183","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","none","","","- C49 H28 N6 O15.5 Zn3 -","- C49 H24 N6 O15.5 Zn3 -","- C196 H96 N24 O62 Zn12 -","4","0.5","","Daofeng Sun; Yanxiong Ke; David J. Collins; Gary A. Lorigan; Hong-Cai Zhou","Construction of Robust Open Metal-Organic Frameworks with Chiral Channels and Permanent Porosity","Inorganic Chemistry","2007","46","","2725","2734","10.1021/ic0624773","","","0.71073","MoKα","","0.0521","0.0453","","","0.16","0.1631","","","","","","1.113","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308030","18.0494","0.0004","18.0494","0.0004","27.17","0.0013","90","","90","","90","","8851.5","0.5","213","2","213","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","none","","","- C50 H27 Cd3 N6 O14 -","- C50 H24 Cd3 N6 O14 -","- C200 H96 Cd12 N24 O56 -","4","0.5","","Daofeng Sun; Yanxiong Ke; David J. Collins; Gary A. Lorigan; Hong-Cai Zhou","Construction of Robust Open Metal-Organic Frameworks with Chiral Channels and Permanent Porosity","Inorganic Chemistry","2007","46","","2725","2734","10.1021/ic0624773","","","0.71073","MoKα","","0.0749","0.0631","","","0.1837","0.2007","","","","","","1.185","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4316930","10.27","0.0015","10.27","0.0015","14.46","0.003","90","","90","","90","","1525.1","0.4","293","2","293","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H5 Er O7 -","- C9 H3 Er O7 -","- C36 H12 Er4 O28 -","4","0.5","","Hai-Long Jiang; Nobuko Tsumori; Qiang Xu","A Series of (6,6)-Connected Porous Lanthanide-Organic Framework Enantiomers with High Thermostability and Exposed Metal Sites: Scalable Syntheses, Structures, and Sorption Properties","Inorganic Chemistry","2010","49","","10001","10006","10.1021/ic101294s","","","0.71073","MoKα","","0.0249","0.0215","","","0.0585","0.0593","","","","","","1.213","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4324418","10.6136","0.0001","10.6136","0.0001","28.7211","0.0001","90","","90","","90","","3235.39","0.04","150","2","150","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C16 H32 O16 P2 S2 Sn3 -","- C16 H32 O16 P2 S2 Sn3 -","- C64 H128 O64 P8 S8 Sn12 -","4","0.5","","Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy","Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands","Inorganic Chemistry","2011","50","","1339","1350","10.1021/ic1018423","","","0.71073","MoKα","","0.0556","0.0428","","","0.0942","0.0994","","","","","","1.07","","","","has coordinates","179347","2020-10-21","18:00:00",""
"4350202","13.01","0.0005","13.01","0.0005","45.73","0.002","90","","90","","90","","7740.3","0.5","223.2","","","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C75 H122 N O9 Ru2 -","- C75 H122 N O9 Ru2 -","- C300 H488 N4 O36 Ru8 -","4","0.5","","Mochizuki, Katsunori; Kawamura, Takashi; Chang, Ho-Chol; Kitagawa, Susumu","Structural and spectroscopic characterization of a diruthenium o-dioxolene complex possessing a singly occupied molecular orbital delocalized over the entire molecule, [Ru2(3,6-DTBDiox)4]-.","Inorganic chemistry","2006","45","10","3990","3997","10.1021/ic052180p","","","0.7107","MoKα","","","0.032","","","","0.0434","","","","","","1.086","","","","has coordinates","239780","2020-10-21","18:00:00",""
"4350822","8.6409","0.0002","8.6409","0.0002","20.1002","0.0006","90","","90","","90","","1500.78","0.07","100","","100","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","catena-[(μ-1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triolato) -diaqua-neodymium(iii) N,N-dimethylformamide solvate]","","- C6 H4 N7 Nd O5 -","- C6 H4 N7 Nd O5 -","- C24 H16 N28 Nd4 O20 -","4","0.5","","Mohamed Essalhi; Midhun Mohan; Nour Dissem; Najmedinne Ferhi; Adela Abidi; Thierry Maris; Adam Duong","Two different pore architectures of cyamelurate-based metal-organic frameworks for highly selective CO2 capture under ambient conditions","Inorganic Chemistry Frontiers","2023","10","","1037","1048","10.1039/d2qi02208g","","x-ray","1.54178","CuKα","","0.0466","0.0465","","","0.1321","0.1321","","","","","","1.062","","","","has coordinates,has Fobs","287836","2023-11-28","18:30:14",""
"4507257","10.8801","0.0003","10.8801","0.0003","16.4712","0.0006","90","","90","","90","","1949.8","0.1","298","2","298","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C17 H8 O9 Yb -","- C17 H8 O9 Yb -","- C68 H32 O36 Yb4 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0467","0.042","","","0.1094","0.1118","","","","","","1.106","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4513067","9.25232","0.00063","9.25232","0.00063","13.4487","0.0012","90","","90","","90","","1151.28","0.15","298","","298","","","","","","","","","4","P 41 2 2","P 4w 2c","91","","catena-(bis(3,5-dimethyl-4-pyrazolato)methane)-co(ii)","","- C11 H14 Co N4 -","- C11 H14 Co N4 -","- C44 H56 Co4 N16 -","4","0.5","","Timokhin, Ivan; Pettinari, Claudio; Marchetti, Fabio; Pettinari, Riccardo; Condello, Francesca; Galli, Simona; Alegria, Elisabete C. B. A.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L.","Novel Coordination Polymers with (Pyrazolato)-Based Tectons: Catalytic Activity in the Peroxidative Oxidation of Alcohols and Cyclohexane","Crystal Growth & Design","2015","15","5","2303","","10.1021/acs.cgd.5b00083","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4519220","17.9001","0.0016","17.9001","0.0016","26.387","0.005","90","","90","","90","","8454.8","1.9","120","","120","","","","","","","","","6","P 41 2 2","P 4w 2c","91","","Co-TATB","","- C24 H12 Cl0.25 Co1.5 N3 O6 -","- C24 H12 Cl0.25 Co1.5 N3 O6 -","- C192 H96 Cl2 Co12 N24 O48 -","8","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.1759","0.106","","","0.2465","0.2959","","","","","","0.977","","","","has coordinates","271716","2022-01-03","20:22:05",""
"7010032","11.416","0.002","11.416","0.002","37.328","0.005","90","","90","","90","","4864.8","1.4","293","","293","","","","","","","","","7","P 41 2 2","P 4w 2c","91","","","","- C46 H36 Ni2 O8 P2 Ru4 S2 -","- C46 H36 Ni2 O8 P2 Ru4 S2 -","- C184 H144 Ni8 O32 P8 Ru16 S8 -","4","0.5","","Adams, Chris J.; Bruce, Michael I.; Halet, Jean-François; Kahlal, Samia; Skelton, Brian W.; White, Allan H.","Reactions of nickelocene with an Ru5 cluster: crystal structures of two nickel‒ruthenium clusters containing C2 ligands","Journal of the Chemical Society, Dalton Transactions","2001","","4","414","","10.1039/b005210h","","","0.71073","MoKα","","","0.042","","0.045","","0.034","","","1.28","","","1.378","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029210","10.0386","0.0002","10.0386","0.0002","26.4595","0.0008","90","","90","","90","","2666.42","0.11","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C28 H18 N8 O6 Zn -","- C28 H18 N8 O6 Zn -","- C112 H72 N32 O24 Zn4 -","4","0.5","","Gong, Yun; Zhang, Miao Miao; Hua, Wei; Sun, Jun Liang; Shi, Hui Fang; Jiang, Peng Gang; Liao, Fu Hui; Lin, Jian Hua","Metal-organic frameworks built from achiral 3-(5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoic acid: syntheses and structures of metal(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","145","151","10.1039/c3dt51736e","","","0.71073","MoKα","","0.0387","0.0353","","","0.092","0.0938","","","","","","1.1","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7048682","8.2537","0.0012","8.2537","0.0012","18.659","0.004","90","","90","","90","","1271.1","0.4","150","2","150","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C10 H10 Fe O4 P2 Zn -","- C10 H10 Fe O4 P2 Zn -","- C40 H40 Fe4 O16 P8 Zn4 -","4","0.5","","Shekurov, Ruslan; Khrizanforova, Vera; Gilmanova, Leysan; Khrizanforov, Mikhail; Miluykov, Vasily; Kataeva, Olga; Yamaleeva, Zilya; Burganov, Timur; Gerasimova, Tatiana; Khamatgalimov, Airat; Katsyuba, Sergey; Kovalenko, Valeri; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia","Zn and Co redox active coordination polymers as efficient electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3601","3609","10.1039/c8dt04618b","","x-ray","0.71073","MoKα","","0.0374","0.0302","","","0.05","0.051","","","","","","1.174","","","","has coordinates","224542","2020-10-21","18:00:00",""
"7048683","8.22","0.0012","8.22","0.0012","18.84","0.004","90","","90","","90","","1273","0.4","296","2","296","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C10 H10 Co Fe O4 P2 -","- C10 H10 Co Fe O4 P2 -","- C40 H40 Co4 Fe4 O16 P8 -","4","0.5","","Shekurov, Ruslan; Khrizanforova, Vera; Gilmanova, Leysan; Khrizanforov, Mikhail; Miluykov, Vasily; Kataeva, Olga; Yamaleeva, Zilya; Burganov, Timur; Gerasimova, Tatiana; Khamatgalimov, Airat; Katsyuba, Sergey; Kovalenko, Valeri; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia","Zn and Co redox active coordination polymers as efficient electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2019","48","11","3601","3609","10.1039/c8dt04618b","","x-ray","0.88561","synchrotron","","0.0816","0.0749","","","0.2034","0.2287","","","","","","1.149","","","","has coordinates","224542","2020-10-21","18:00:00",""
"7049205","11.3862","0.0003","11.3862","0.0003","41.1226","0.0014","90","","90","","90","","5331.4","0.3","293","2","293.15","","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C61 H44 N4 O4 Pt2 -","- C61 H44 N4 O4 Pt2 -","- C244 H176 N16 O16 Pt8 -","4","0.5","","Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","1D-helical platinum(ii) complexes bearing metal-induced chirality, aggregation-induced red phosphorescence, and circularly polarized luminescence.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4420","4428","10.1039/c8dt03615b","","x-ray","0.71073","MoKα","","0.0468","0.0423","","","0.1172","0.1201","","","","","","1.13","","","","has coordinates","224268","2020-10-21","18:00:00",""
"7106289","11.3358","0.0002","11.3358","0.0002","24.9541","0.0009","90","","90","","90","","3206.61","0.14","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C28 H32 Co2 N8 O12 -","- C22 H20 Co2 N4 O10 -","- C88 H80 Co8 N16 O40 -","4","0.5","","Yao Kang; Shumei Chen; Fei Wang; Jian Zhang; Xianhui Bu","Induction in Urothermal Synthesis of Homochiral Porous Materials from Achiral Precursors","Chem.Commun.","2011","47","","4950","","10.1039/c1cc10486a","","","0.71073","MoKα","","0.1346","0.0989","","","0.2621","0.2844","","","","","","1.153","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106290","11.314","0.0002","11.314","0.0002","25.2429","0.001","90","","90","","90","","3231.26","0.15","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C28 H32 Co2 N8 O12 -","- C28 H20 Co2 N8 O12 -","- C112 H80 Co8 N32 O48 -","4","0.5","","Yao Kang; Shumei Chen; Fei Wang; Jian Zhang; Xianhui Bu","Induction in Urothermal Synthesis of Homochiral Porous Materials from Achiral Precursors","Chem.Commun.","2011","47","","4950","","10.1039/c1cc10486a","","","0.71073","MoKα","","0.0733","0.0565","","","0.1499","0.1588","","","","","","1.018","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7109710","23.6972","0.001","23.6972","0.001","14.1273","0.0006","90","","90","","90","","7933.3","0.6","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C38 H38 Dy Na O14 -","- C38 H32 Dy Na O14 -","- C152 H128 Dy4 Na4 O56 -","4","0.5","","Yongwu Peng; Tengfei Gong; Yong Cui","A homochiral porous metal-organic framework for enantioselective adsorption of mandelates and photocyclizaton of tropolone ethers","Chem.Commun.","2013","49","","8253","","10.1039/c3cc43549k","","","1.54178","CuKα","","0.089","0.0814","","","0.2127","0.2215","","","","","","1.144","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7121491","12.8863","0.0001","12.8863","0.0001","13.2102","0.0003","90","","90","","90","","2193.64","0.06","100","0.1","100","0.1","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C7 H4 N O3 Zn -","- C7 H4 N O3 Zn1.0005 -","- C56 H32 N8 O24 Zn8.004 -","8","1","","Zhang, Ling; Jiang, Ke; Li, Libo; Xia, Yu-Pei; Hu, Tong-Liang; Yang, Yu; Cui, Yuanjing; Li, Bin; Chen, Banglin; Qian, Guodong","Efficient separation of C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> mixtures in an acid-base resistant metal-organic framework.","Chemical communications (Cambridge, England)","2018","54","38","4846","4849","10.1039/c8cc02235f","","x-ray","1.54178","CuKα","","0.0372","0.0355","","","0.0955","0.0968","","","","","","1.09","","","","has coordinates,has disorder","228596","2020-10-21","18:00:00",""
"7121541","29.4605","0.0002","29.4605","0.0002","37.2375","0.0004","90","","90","","90","","32319.2","0.5","173","2","173","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C232 H234 Cl48 N16 O17 Zn -","- C232 H234 Cl48 N16 O17 Zn -","- C928 H936 Cl192 N64 O68 Zn4 -","4","0.5","","Feng, Jiajing; Fu, Lu Lu; Huang, Tengda; Geng, Hua; Jiang, Wei; Wang, Zhaohui","Rylene annulated phthalocyanine: a fully conjugated block for the construction of a supramolecular two-dimensional framework","Chemical Communications","2018","","","","","10.1039/C8CC01216D","","","0.71073","MoKα","","0.1767","0.1301","","","0.3435","0.3753","","","","","","1.141","","","","has coordinates","207430","2020-10-21","18:00:00",""
"7124053","12.8863","0.0001","12.8863","0.0001","13.2102","0.0003","90","","90","","90","","2193.64","0.06","100","0.1","100","0.1","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C7 H4 N O3 Zn -","- C7 H4 N O3 Zn1.0005 -","- C56 H32 N8 O24 Zn8.004 -","8","1","","Cui, Yuanjing; Yue, Dan; Huang, YiKe; Zhang, Jun; Wang, Zhiyu; Yang, Deren; Qian, Guodong","Photo-Induced Electron Transfer in Metal-Organic Framework: A new Approach Towards highly sensitive luminescent probe of Fe3+","Chemical Communications","2019","","","","","10.1039/C9CC05019A","","x-ray","1.54178","CuKα","","0.0372","0.0355","","","0.0955","0.0968","","","","","","1.09","","","","has coordinates,has disorder","217640","2020-10-21","18:00:00",""
"7150180","12.2564","0.0003","12.2564","0.0003","13.4713","0.0006","90","","90","","90","","2023.65","0.11","100","","100","","","","","","","","","6","P 41 2 2","P 4w 2c","91","","(R,R) N-(1-tert-Butyl-3,3-dimethyl-2-trifluoromethanesulfonylamino-butyl)- C,C,C-trifluoro-methanesulfonamide","","- C12 H22 F6 N2 O4 S2 -","- C12 H22 F6 N2 O4 S2 -","- C48 H88 F24 N8 O16 S8 -","4","0.5","","Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker","Enantioselective Friedel-Crafts type addition of indoles to nitro-olefins using a chiral hydrogen-bonding catalyst‒synthesis of optically active tetrahydro-beta-carbolines.","Organic & biomolecular chemistry","2005","3","14","2566","2571","10.1039/b505220c","","","0.71073","MoKα","","","0.044","","","","0.093","","","","","","0.904","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7206531","10.3635","0.0007","10.3635","0.0007","13.8321","0.0018","90","","90","","90","","1485.6","0.2","473","2","473","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H3 Gd O6 -","- C9 H3 Gd O6 -","- C36 H12 Gd4 O24 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0479","0.0334","","","0.0691","0.0749","","","","","","1.054","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206533","10.471","0.0015","10.471","0.0015","14.645","0.004","90","","90","","90","","1605.7","0.5","273","2","273","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C9 H15 Gd O12 -","- C9 H3 Gd O12 -","- C36 H12 Gd4 O48 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.044","0.0356","","","0.0794","0.084","","","","","","0.973","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206535","10.3008","0.0013","10.3008","0.0013","14.385","0.004","90","","90","","90","","1526.3","0.5","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0357","0.0329","","","0.0784","0.0798","","","","","","1.019","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206538","10.3149","0.0014","10.3149","0.0014","14.339","0.004","90","","90","","90","","1525.6","0.5","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C13 H12 Gd N O7 -","- C13 H12 Gd N O7 -","- C52 H48 Gd4 N4 O28 -","4","0.5","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0379","0.0352","","","0.0828","0.0847","","","","","","1.068","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7215298","8.0814","0.0003","8.0814","0.0003","28.0836","0.0004","90","","90","","90","","1834.11","0.1","293","2","293","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C20 H14 Co N4 O4 -","- C20 H14 Co N4 O4 -","- C80 H56 Co4 N16 O16 -","4","0.5","","Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi","Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid","CrystEngComm","2011","13","10","3432","","10.1039/c0ce00789g","","","0.71073","MoKα","","0.0461","0.0329","","","0.0691","0.0742","","","","","","0.976","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7236682","13.6387","0.0006","13.6387","0.0006","15.1597","0.0016","90","","90","","90","","2819.9","0.3","100","2","100","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","none","","","- C12.25 H8 Cs In O9.75 S2 -","- C12 H4 Cs In O8 S2 -","- C48 H16 Cs4 In4 O32 S8 -","4","0.5","","Gao, Yu-Jie; Feng, Mei-Ling; Zhang, Bo; Wu, Zhao-Feng; Song, Ying; Huang, Xiao-Ying","An easily synthesized microporous framework material for the selective capture of radioactive Cs+ and Sr2+ ions","Journal of Materials Chemistry A","2018","6","9","3967","","10.1039/C7TA11208D","","","0.71073","MoKα","","0.1424","0.093","","","0.2028","0.2321","","","","","","1.038","","","","has coordinates","236420","2020-10-21","18:00:00",""
"7711940","9.8021","0.0007","9.8021","0.0007","12.812","0.001","90","","90","","90","","1230.99","0.16","140","2","140","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","catena-[acetylenedicarboxylate-κO:O':O'':O'''-(μ-hydroxido-κO:O)indium(III)]","","- C4 H In O5 -","- C4 H In O5 -","- C16 H4 In4 O20 -","4","0.5","","Woschko, Dennis; Yilmaz, Süheyla; Jansen, Christian; Spieß, Alex; Oestreich, Robert; Matemb Ma Ntep, Tobie J.; Janiak, Christoph","Enhanced sorption in an indium-acetylenedicarboxylate metal-organic framework with unexpected chains of <i>cis</i>-μ-OH-connected {InO<sub>6</sub>} octahedra.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","977","989","10.1039/d2dt03719j","","","0.71073","MoKα","","0.0095","0.0094","","","0.0245","0.0246","","","","","","1.127","","","","has coordinates","283271","2023-05-05","01:54:37",""
"8100852","12.3078","0.0001","12.3078","0.0001","13.5109","0.0002","90","","90","","90","","2046.66","0.04","173","2","293","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C12 H22 F6 N2 O4 S2 -","- C12 H22 F6 N2 O4 S2 -","- C48 H88 F24 N8 O16 S8 -","4","0.5","","Zheng, Chong; Yao, Qingwei","Crystal structure of (R,R)-N,N'-bis(trifluoromethane-sulfonyl)-2,2, 5,5-tetramethyl-3,4-hexanediamine, C~12~H~22~F~6~N~2~O~4~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","99","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103280","10.2245","0.0014","10.2245","0.0014","14.369","0.003","90","","90","","90","","1502.1","0.4","293","2","293","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","Lu(BTC)H2O","","","- C4.5 H2.5 Lu0.5 O3.5 -","- C4.5 H1.5 Lu0.5 O3.5 -","- C36 H12 Lu4 O28 -","8","1","","Zhongyue Li; Kun Liu","Crystal structure of aqua(benzene-1,3,5-tricarboxylato)lutetium(III), Lu(H2O)(C9H3O6)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","91","","","","","0.71073","MoKα","","0.0407","0.0361","","","0.1193","0.1254","","","","","","0.548","","","","has coordinates","211175","2020-10-21","18:00:00",""
"9001694","5.97705","","5.97705","","8.4161","","90","","90","","90","","300.666","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","","Qandilite","- Mg2 O4 Ti -","- Mg2 O4 Ti -","- Mg8 O16 Ti4 -","4","0.5","","Millard, R. L.; Peterson, R. C.; Hunter, B. K.","Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM446, Mg2TiO4","American Mineralogist","1995","80","","885","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001695","6.00689","","6.00689","","8.41547","","90","","90","","90","","303.653","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","","Qandilite","- Mg2 O4 Ti -","- Mg2 O4 Ti -","- Mg8 O16 Ti4 -","4","0.5","","Millard, R. L.; Peterson, R. C.; Hunter, B. K.","Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by 17O MAS NMR and Rietveld refinement of X-ray diffraction data Sample: RLM510, Mg2TiO4","American Mineralogist","1995","80","","885","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9009990","12.634","","12.634","","26.608","","90","","90","","90","","4247.12","","","","","","","","","","","","Mt. Adamson, Northern Victoria Land, Antarctica","8","P 41 2 2","P 4w 2c","91","","","Tschernichite","- Al2.74 Ca0.89 H30 K0.11 Mg0.08 Na0.08 O40.34 Si13.26 -","- Al2.74 Ca0.89 H16.68 K0.11 Mg0.08 Na0.08 O40.34 Si13.26 -","- Al10.96 Ca3.56 H66.72 K0.44 Mg0.32 Na0.32 O161.36 Si53.04 -","4","0.5","","Alberti, A.; Cruciani, G.; Galli, E.; Merlino, S.; Millini, R.; Quartieri, S.; Vezzalini, G.; Zanardi, S.","Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta Sample: small crystal, tetragonal Note: Mg position adjusted to match reported bond lengths","Journal of Physical Chemistry B","2002","106","","10277","10284","10.1021/jp021222h","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9010293","5.8309","","5.8309","","8.2218","","90","","90","","90","","279.536","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","","","- Fe2 Mg O4 -","- Fe2 Mg O4 -","- Fe8 Mg4 O16 -","4","0.5","","Palin, E. J.; Harrison, R. J.","A Monte Carlo investigation of the thermodynamics of cation ordering in 2-3 spinels Note: theoretical atom sites using GULP","American Mineralogist","2007","92","","1334","1345","10.2138/am.2007.2485","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011260","5.9748","","5.9748","","8.414","","90","","90","","90","","300.365","","","","773","","","","","","","","Synthetic","3","P 41 2 2","P 4w 2c","91","","","Qandilite","- Mg2 O4 Ti -","- Mg2 O4 Ti -","- Mg8 O16 Ti4 -","4","0.5","","Wechsler, B. A.; Von Dreele, R. B.","Structure refinements of Mg2TiO4, MgTiO3 and MgTi2O5 by time-of-flight neutron powder diffraction Locality: synthetic Sample: T = 773 K","Acta Crystallographica, Section B","1989","45","6","542","549","10.1107/S010876818900786X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""