# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T11:24:54+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4/n n c :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
"1512839","16.92","0.003","16.92","0.003","28.283","0.006","90","","90","","90","","8097","3","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C48 H52 Dy Mo12 N8 O50 P -","- C48 H48 Dy Mo12 N8 O48 P -","- C192 H192 Dy4 Mo48 N32 O192 P4 -","4","0.25","","Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang","New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization","Inorganica Chimica Acta","2013","394","","770","775","10.1016/j.ica.2012.10.001","","","0.71073","MoKα","","0.083","0.0599","","","0.1294","0.1418","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512840","16.858","0.003","16.858","0.003","28.341","0.006","90","","90","","90","","8054","3","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C48 H52 Mo12 N8 O50 P Tb -","- C48 H48 Mo12 N8 O48 P Tb -","- C192 H192 Mo48 N32 O192 P4 Tb4 -","4","0.25","","Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang","New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization","Inorganica Chimica Acta","2013","394","","770","775","10.1016/j.ica.2012.10.001","","","0.71073","MoKα","","0.0657","0.0565","","","0.1399","0.1449","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512841","16.876","0.002","16.876","0.002","28.208","0.006","90","","90","","90","","8034","2","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C48 H52 Er Mo12 N8 O50 P -","- C48 H48 Er Mo12 N8 O48 P -","- C192 H192 Er4 Mo48 N32 O192 P4 -","4","0.25","","Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang","New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization","Inorganica Chimica Acta","2013","394","","770","775","10.1016/j.ica.2012.10.001","","","0.71073","MoKα","","0.0968","0.0674","","","0.1377","0.1525","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512842","16.899","0.003","16.899","0.003","28.339","0.006","90","","90","","90","","8093","3","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C48 H52 Ho Mo12 N8 O50 P -","- C48 H48 Ho Mo12 N8 O48 P -","- C192 H192 Ho4 Mo48 N32 O192 P4 -","4","0.25","","Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang","New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization","Inorganica Chimica Acta","2013","394","","770","775","10.1016/j.ica.2012.10.001","","","0.71073","MoKα","","0.1081","0.075","","","0.1711","0.1923","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520898","10.9012","","10.9012","","7.6792","","90","","90","","90","","912.567","","","","","","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","(Pr0.1 Sr0.9) Fe O2.80","","- Fe O2.8 Pr0.1 Sr0.9 -","- Fe O2.7999 Pr0.1 Sr0.9 -","- Fe16 O44.7984 Pr1.6 Sr14.4 -","16","1","","Brinks, H.W.; Fjellvag, H.; Kjekshus, A.; Hauback, B.C.","Structure and magnetism of Pr1-x Srx Fe O3-d","Journal of Solid State Chemistry","2000","150","","233","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534733","15.656","","15.656","","11.756","","90","","90","","90","","2881.52","","","","","","","","","","","","","9","P 4/n n c :2","-P 4a 2bc","126","","Ca19 (Al8.56 Ti.28 Mg3.72 Fe.98 B1.31) (Si O4)10 (Si2 O7)4 O4.2 (O H)5.8","","- Al8.56 B1.31 Ca19 Fe0.98 H5.8 Mg3.72 O78 Si18 Ti0.28 -","- Al8.56 B1.31 Ca19 Fe0.98 Mg3.72 O78 Si18 Ti0.28 -","- Al17.12 B2.62 Ca38 Fe1.96 Mg7.44 O156 Si36 Ti0.56 -","2","0.125","","Groat, L.A.; Hawthorne, F.C.; Ercit, T.S.","The incorporation of boron into the vesuvianite structure","Canadian Mineralogist","1994","32","","505","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534736","15.71","","15.71","","11.719","","90","","90","","90","","2892.3","","","","","","","","","","","","","9","P 4/n n c :2","-P 4a 2bc","126","","Ca19 (Al7.2 Ti.32 Mg3.92 Fe2.13 B1.03) (Si O4)10 (Si2 O7)4 O2.7 (O H)7.3","","- Al7.2 B1.03 Ca19 Fe2.13 H7.3 Mg3.92 O78 Si18 Ti0.32 -","- Al7.2 B1.03 Ca19 Fe2.13 Mg3.92 O78 Si18 Ti0.32 -","- Al14.4 B2.06 Ca38 Fe4.26 Mg7.84 O156 Si36 Ti0.64 -","2","0.125","","Groat, L.A.; Ercit, T.S.; Hawthorne, F.C.","The incorporation of boron into the vesuvianite structure","Canadian Mineralogist","1994","32","","505","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534740","15.745","","15.745","","11.728","","90","","90","","90","","2907.43","","","","","","","","","","","","","9","P 4/n n c :2","-P 4a 2bc","126","","Ca19 (Al6.64 Ti.36 Mg3.6 Fe2.7 B2.39) (Si O4)10 (Si2 O7)4 O6 (O H)4","","- Al6.64 B2.39 Ca19 Fe2.7 H4 Mg3.6 O78 Si18 Ti0.36 -","- Al6.64 B2.39 Ca19 Fe2.7 Mg3.6 O78 Si18 Ti0.36 -","- Al13.28 B4.78 Ca38 Fe5.4 Mg7.2 O156 Si36 Ti0.72 -","2","0.125","","Groat, L.A.; Ercit, T.S.; Hawthorne, F.C.","The incorporation of boron into the of vesuvianite structure","Canadian Mineralogist","1994","32","","505","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541679","15.565","","15.565","","11.816","","90","","90","","90","","2862.65","","","","","","","","","","","","","9","P 4/n n c :2","-P 4a 2bc","126","","Ca19 (Mg1.7 Fe2.5 Al1.2 Ti.4 Mn.2) Al8 (Si O4)10 (Si2 O7)4 O10 H6.2","","- Al9.2 Ca19 Fe2.5 H6.2 Mg1.7 Mn0.2 O78 Si18 Ti0.4 -","- Al9.2 Ca19 Fe2.5 Mg1.7 Mn0.2 O78 Si18 Ti0.4 -","- Al18.4 Ca38 Fe5 Mg3.4 Mn0.4 O156 Si36 Ti0.8 -","2","0.125","","Coda, A.; della Giusta, A.; Isetti, G.; Mazzi, F.","On the crystal structure of vesuvianite","Atti della Accademia delle Scienze di Torino, Classe di Scienze Fisiche, Matematiche e Naturali","1971","105","","63","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541733","15.516","","15.516","","11.769","","90","","90","","90","","2833.34","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","Ca19 Mg Fe2 Al10 (Si18 O70) (O H)8","","- Al10 Ca19 Fe2 H8 Mg O78 Si18 -","- Al10 Ca19 Fe2 Mg O78 Si18 -","- Al20 Ca38 Fe4 Mg2 O156 Si36 -","2","0.125","","Rucklidge, J.C.; Kocman, V.; Whitlow, S.H.; Gabe, E.J.","The crystal structures of three canadian vesuvianites","Canadian Mineralogist","1975","13","","15","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1556972","15.7018","0.0006","15.7018","0.0006","11.8648","0.0006","90","","90","","90","","2925.2","0.2","","","298","","","","100","","","","","13","P 4/n n c :2","-P 4a 2bc","126","Ca16.74Pb0.11Bi1.08Ce0.07Mn0.47Mg1.88Fe2.02Cu0.1Al7.94Ti0.84Si17.84O78H7.55","","bismuthian vesuvianite","- Al7.94 Bi1.08 Ca16.74 Ce0.07 Cu0.1 Fe2.02 H7.55 Mg1.88 Mn0.47 O78 Pb0.11 Si17.84 Ti0.84 -","- Al8.268 Bi1.08 Ca18.564 Ce0.14 Cu0.2 Fe2.212 Mg2.124 Mn0.94 O78 Pb0.112 Si17.84 Ti0.84 -","- Al16.536 Bi2.16 Ca37.128 Ce0.28 Cu0.4 Fe4.424 Mg4.248 Mn1.88 O156 Pb0.224 Si35.68 Ti1.68 -","2","0.125","","Halenius, U.; Bosi, F.; Gatedal, K.","Crystal structure and chemistry of skarn-associated bismuthian vesuvianite","American Mineralogist","2013","98","","566","573","10.2138/am.2013.4310","","","","","","","","","","","","","","","","","","","","","has coordinates","246652","2020-10-21","18:00:00",""
"1570688","2.37513","","2.37513","","2.16441","","90","","90","","90","","12.21","","","","","","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C4 N2 O -","- C4 N2 O -","- C8 N4 O2 -","2","0.125","","Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.","Chemical science","2023","14","45","12984","12994","10.1039/d3sc04406h","","","","","","0","","","","","","","","","","","","","","","has coordinates","288675","2024-01-04","10:21:05",""
"2003573","19.907","0.005","19.907","0.005","6.43","0.005","90","","90","","90","","2548","2","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","Bis(phthalocyaninato)erbium","Bis[29H,31H-phthalocyaninato-N^29^,N^30^,N^31^,N^32^]erbium","","- C64 H32 Er N16 -","- C64 H32 Er N16 -","- C128 H64 Er2 N32 -","2","0.125","JZ1021","Ostendorp, G.; Werner, J.-P.; Homborg, H.","Bis(phthalocyaninato)erbium (α1 Phase)","Acta Crystallographica Section C","1995","51","6","1125","1128","10.1107/S0108270195000126","","","0.71069","MoKα","","0.0632","0.0478","","0.2013","0.1831","","","","1.274","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2015992","11.3324","0.0015","11.3324","0.0015","10.894","0.002","90","","90","","90","","1399","0.4","110","","110","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","<i>trans</i>-Dichloridotetrakis(3,5-dimethylpyridine)copper(II)","","- C28 H36 Cl2 Cu N4 -","- C28 H36 Cl2 Cu N4 -","- C56 H72 Cl4 Cu2 N8 -","2","0.125","GZ3084","Martone, Daniel P.; Maverick, Andrew W.; Fronczek, Frank R.","<i>trans</i>-Dichloridotetrakis(3,5-dimethylpyridine)copper(II)","Acta Crystallographica Section C","2007","63","6","m238","m239","10.1107/S0108270107018471","","","0.71073","MoKα","","0.044","0.03","","","0.075","0.081","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2107993","15.5326","0.0002","15.5326","0.0002","11.804","0.0002","90","","90","","90","","2847.85","0.07","293","","293","","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","","- Al7.62 Ca18.1 Fe2.55 Mg0.63 Na0.9 O78 Si18 Ti2.2 -","- Al7.616 Ca18.104 Fe2.576 Mg0.616 Na0.896 O78 Si18 Ti2.192 -","- Al15.232 Ca36.208 Fe5.152 Mg1.232 Na1.792 O156 Si36 Ti4.384 -","2","0.125","BP5089","Aksenov, Sergey M.; Chukanov, Nikita V.; Rusakov, Vyacheslav S.; Panikorovskii, Taras L.; Rastsvetaeva, Ramiza K.; Gainov, Ramil R.; Vagizov, Farit G.; Lyssenko, Konstantin A.; Belakovskiy, Dmitry I.","Towards a revisitation of vesuvianite-group nomenclature: the crystal structure of Ti-rich vesuvianite from Alchuri, Shigar Valley, Pakistan","Acta Crystallographica Section B","2016","72","5","744","752","10.1107/S2052520616010246","","","0.71069","MoKα","","0.0356","0.0312","","","0.0534","0.0565","","","","","","1.02","","","","has coordinates,has Fobs","186845","2020-10-21","18:00:00",""
"2201971","10.187","0.002","10.187","0.002","15.497","0.003","90","","90","","90","","1608.2","0.5","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","sodium cerium dihydrogenphosphate monohydrate","","- Ce0.1133 H4 Na0.66 O5 P -","- Ce0.11325 H2 Na0.66 O5 P -","- Ce1.812 H32 Na10.56 O80 P16 -","16","1","DN6069","Ben Zarkouna, Emna; Zid, Mohamed Faouzi; Driss, Ahmed","Na~0.6601~Ce~0.1133~(H~2~PO~4~)·H~2~O","Acta Crystallographica Section E","2003","59","6","i92","i94","10.1107/S1600536803010791","","","0.71069","MoKα","","0.0256","0.0245","","","0.067","0.0677","","","","","","1.175","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205743","11.583","0.001","11.583","0.001","10.747","0.001","90","","90","","90","","1441.9","0.2","289","2","289","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","Tetrakis(3,5-lutidine)dichloronickel(II)","","- C28 H36 Cl2 N4 Ni -","- C28 H36 Cl2 N4 Ni -","- C56 H72 Cl4 N8 Ni2 -","2","0.125","IS6061","Xiang-Sheng Xu; Ya-Ping Lü; Dong-Shun Deng; Mao-Lin Hu; Zhi-Min Jin","Tetrakis(3,5-lutidine)dichloronickel(II)","Acta Crystallographica Section E","2005","61","5","m889","m891","10.1107/S1600536805011141","","","0.71073","MoKα","","0.0497","0.0282","","","0.0697","0.075","","","","","","0.909","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"4077792","16.1431","0.0019","16.1431","0.0019","32.538","0.003","90","","90","","90","","8479.4","1.6","173","2","173","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C194 H120 Cl4 Cu12 Pt6 -","- C194.08 H120 Cl4 Cu12 Pt6 -","- C388.16 H240 Cl8 Cu24 Pt12 -","2","0.125","","Charmant, Jonathan P. H.; Forniés, Juan; Gómez, Julio; Lalinde, Elena; Merino, Rosa I.; Moreno, M. Teresa; Orpen, A. Guy","Unprecedented Pt−Pt Bonded Trimer {[Pt2Cu4(C⋮CPh)8]}3Showing Unusual Near-Infrared Luminescence","Organometallics","1999","18","17","3353","","10.1021/om9902030","","","0.71073","MoKα","","0.0777","0.0503","","","0.1342","0.1414","","","","","","1.662","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4108559","13.971","0.001","13.971","0.001","28.774","0.001","90","","90","","90","","5616.4","0.6","298","1","298","1","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H100 Cl2 O8 Pt10 S40 -","- C60 H100 Cl2 O8 Pt10 S40 -","- C120 H200 Cl4 O16 Pt20 S80 -","2","0.125","","Minoru Mitsumi; Hidekazu Ueda; Kazumi Furukawa; Yoshiki Ozawa; Koshiro Toriumi; Mohamedally Kurmoo","Constructing Highly Conducting Metal-Metal Bonded Solids by Electrocrystallization of [PtII2(RCS2)4] (RCS2-= Dithiocarboxylato, R = Methyl or Ethyl)","Journal of the American Chemical Society","2008","130","","14102","14104","10.1021/ja805794a","","","0.5643","synchrotron","","0.0493","0.0311","","","0.0789","0.0916","","","","","","1.069","","","","has coordinates,has disorder","178831","2020-10-21","18:00:00",""
"4112487","19.322","0.003","19.322","0.003","33.829","0.007","90","","90","","90","","12630","4","203","2","203","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C176 H178 N24 O98 Tm14 -","- C176 H112 N24 O95.6 Tm14 -","- C352 H224 N48 O191.2 Tm28 -","2","0.125","","Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky","Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters","Journal of the American Chemical Society","2004","126","","5213","5218","10.1021/ja0396044","","","0.71073","MoKa","","0.0672","0.0521","","0.1894","0.1472","","","","1.068","1.074","1.074","","","","","has coordinates,has disorder","178895","2020-10-21","18:00:00",""
"4113066","30.052","0.004","30.052","0.004","42.551","0.009","90","","90","","90","","38429","11","100","2","100","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","Cuboctahedron","","","- C66 H100 O40 Pr3.75 S6 -","- C48 H26.6667 O34.3911 Pr2.22222 S6.22222 -","- C864 H480 O619.04 Pr40 S112 -","18","1.125","","Jerry L. Atwood; Leonard J. Barbour; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston; Helen R. Webb","Toward Mimicking Viral Geometry with Metal-Organic Systems","Journal of the American Chemical Society","2004","126","","13170","13171","10.1021/ja048058r","","","0.71073","MoKα","","0.3276","0.291","","","0.6052","0.6174","","","","","","4.674","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4115010","13.6912","0.0008","13.6912","0.0008","20.4755","0.0012","90","","90","","90","","3838.1","0.4","213","2","213","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C30 H52 Cl5 Mo2 N12 -","- C30 H52 Cl5 Mo2 N12 -","- C120 H208 Cl20 Mo8 N48 -","4","0.25","","F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson","The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds","Journal of the American Chemical Society","2002","124","","9249","9256","10.1021/ja0266464","","","0.71073","MoKα","","0.0273","0.0227","","","0.0569","0.0622","","","","","","1.107","","","","has coordinates,has disorder","178921","2020-10-21","18:00:00",""
"4116804","14.3327","0.0008","14.3327","0.0008","14.371","0.002","90","","90","","90","","2952.2","0.5","253.2","","253.2","","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 Cl N8 O4 Rh2 -","- C58 H58 Cl0.48 N8 O3 Rh0.5 -","- C116 H116 Cl0.96 N16 O6 Rh -","2","0.125","","Takashi Kawamura; Minobu Maeda; Makoto Miyamoto; Hiroshi Usami; Kaori Imaeda; Masahiro Ebihara","Geometrical Difference and Electron Configuration of Lantern-Type Rh24+ and Rh25+ Complexes: X-ray Structural and DFT Study","Journal of the American Chemical Society","1998","120","","8136","8142","10.1021/ja9712940","","","0.7107","MoKα","","","0.0369","","","0.0457","","","","","1.744","1.744","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116919","10.502","0.003","10.502","0.003","14.5","0.008","90","","90","","90","","1599.2","1.1","213","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C28 H48 Cl2 N12 Pd2 -","- C28 H48 Cl2 N12 Pd2 -","- C56 H96 Cl4 N24 Pd4 -","2","0.125","","F. Albert Cotton; Jiande Gu; Carlos A. Murillo; Daren J. Timmons","The First Dinuclear Complex of Palladium(III)","Journal of the American Chemical Society","1998","120","","13280","13281","10.1021/ja9832313","","","0.71073","MoKα","","0.0534","0.0469","","0.0955","0.0917","","","","1.392","1.428","1.428","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4122084","13.7952","0.0018","13.7952","0.0018","15.095","0.003","90","","90","","90","","2872.7","0.8","33","2","33","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.1359","0.1222","","","0.2218","0.2291","","","","","","1.93","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122085","13.6662","0.0011","13.6662","0.0011","15.052","0.002","90","","90","","90","","2811.2","0.5","100","2","100","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.11","0.0983","","","0.2062","0.2123","","","","","","1.778","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122086","13.7952","0.0018","13.7952","0.0018","15.095","0.003","90","","90","","90","","2872.7","0.8","213","2","213","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","Ru2(m-DAniF)4BF4","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0807","0.0719","","","0.1649","0.1697","","","","","","1.397","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122087","13.8927","0.0005","13.8927","0.0005","15.0744","0.0011","90","","90","","90","","2909.5","0.3","298","2","298","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C60 H60 B F4 N8 O8 Ru2 -","- C60 H60 B F4 N8 O8 Ru2 -","- C120 H120 B2 F8 N16 O16 Ru4 -","2","0.125","","Chiarella, Gina M.; Cotton, F. Albert; Murillo, Carlos A.; Ventura, Karen; Villagrán, Dino; Wang, Xiaoping","Manipulating magnetism: ru2(5+) paddlewheels devoid of axial interactions.","Journal of the American Chemical Society","2014","136","27","9580","9589","10.1021/ja5020647","","","0.71073","MoKα","","0.0608","0.0541","","","0.1408","0.1452","","","","","","1.721","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4130345","28.314","0.0013","28.314","0.0013","35.3911","0.0018","90","","90","","90","","28372","2","100","2","100","2","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","","- C384 H264 Cl2 F132 Fe8 N48 O32 P14 -","- C384 H264 Cl2 F105.6 Fe8 N48 O32 P9.6 -","- C768 H528 Cl4 F211.2 Fe16 N96 O64 P19.2 -","2","0.125","","Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.","Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.","Journal of the American Chemical Society","2016","138","21","6813","6821","10.1021/jacs.6b02445","","","0.6889","synchrotron","","0.1389","0.0971","","","0.2693","0.3178","","","","","","1.074","","","","has coordinates,has disorder","240809","2020-10-21","18:00:00",""
"4133029","40.05","0.006","40.05","0.006","37.745","0.008","90","","90","","90","","60543","18","100","2","100.15","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C592 H656 N52 O26 Zn6 -","- C587.998 H592 N52 O26 Zn6 -","- C1176 H1184 N104 O52 Zn12 -","2","0.125","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.66","synchrotron","","0.1931","0.1199","","","0.3525","0.3809","","","","","","0.994","","","","has coordinates","242882","2020-10-21","18:00:00",""
"4135123","32.9819","0.0004","32.9819","0.0004","9.9569","0.0002","90","","90","","90","","10831.2","0.3","100","","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C153 H94 Cu2 N4 O42 -","- C156 H80 Cu2 N4 O42 -","- C312 H160 Cu4 N8 O84 -","2","0.125","","Haase, Frederik; Craig, Gavin A.; Bonneau, Mickaele; Sugimoto, Kunihisa; Furukawa, Shuhei","A pseudo five-fold symmetrical ligand drives geometric frustration in porous metal-organic and hydrogen bonded frameworks.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04450","","x-ray","0.71073","MoKα","","0.0918","0.08","","","0.2408","0.2532","","","","","","1.039","","","","has coordinates,has disorder","254682","2020-10-21","18:00:00",""
"4308792","13.23343","0.0004","13.23343","0.0004","19.42737","0.0007","90","","90","","90","","3402.19","0.19","","","","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","[Ru(TPP)O]2O","","","- C88 H56 N8 O3 Ru2 -","- C88 H56 N8 O3 Ru2 -","- C176 H112 N16 O6 Ru4 -","2","0.125","","Emma Gallo; Alessandro Caselli; Fabio Ragaini; Simone Fantauzzi; Norberto Masciocchi; Angelo Sironi; Sergio Cenini","Structural Determination of Ruthenium-Porphyrin Complexes Relevant to Catalytic Epoxidation of Olefins","Inorganic Chemistry","2005","44","","2039","2049","10.1021/ic048587w","","","","","","","","","","","","","","","","","","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4310765","22.5679","0.0015","22.5679","0.0015","13.0099","0.0012","90","","90","","90","","6626.1","0.9","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","[MoO(3,6-DBCat)2]4","","- C14 H20 Mo0.5 O2.5 -","- C14 H20 Mo0.5 O2.5 -","- C224 H320 Mo8 O40 -","16","1","","Cai-Ming Liu; Ebbe Nordlander; Derek Schmeh; Richard Shoemaker; Cortlandt G. Pierpont","Coordination Complexes of Molybdenum with 3,6-Di-tert-butylcatechol. Addition Products of DMSO, Pyridine N-oxide, and Triphenylarsine Oxide to the Putative [MoVIO(3,6-DBCat)2] Monomer and Self-Assembly of the Chiral [{MoVIO(3,6-DBCat)2}4] Square","Inorganic Chemistry","2004","43","","2114","2124","10.1021/ic0354264","","","0.71073","MoKα","","0.0902","0.0584","","0.2116","0.1878","","","","1.261","1.373","1.373","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314275","13.6036","0.0005","13.6036","0.0005","20.5614","0.0007","90","","90","","90","","3805.1","0.2","293","2","293","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C16 H14 B Cu3 F4 N2 O5 -","- C16 H14 B Cu3 F4 N2 O5 -","- C128 H112 B8 Cu24 F32 N16 O40 -","8","0.5","","Xi-Sen Wang; Hong Zhao; Zhi-Rong Qu; Qiong Ye; Jing Zhang; Ren-Gen Xiong; Xiao-Zeng You; Hoong-Kun Fun","An Unprecedented 8-Fold Interpenetrating Diamondoid-like Coordination Polymer Containing a Cu+4(RCO2)4 Cluster as Connecting Node","Inorganic Chemistry","2003","42","","5786","5788","10.1021/ic0344620","","","0.71073","MoKα","","0.1319","0.0725","","","0.2082","0.2493","","","","","","1.023","","","","has coordinates,has disorder","179214","2020-10-21","18:00:00",""
"4322922","18.5148","0.0004","18.5148","0.0004","26.441","0.0004","90","","90","","90","","9063.9","0.3","130","","130","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C88 H56 F6 N8 O2 P Ru2 -","- C110 H56 F18 N8 O16 P2 Ru2 -","- C440 H224 F72 N32 O64 P8 Ru8 -","4","0.25","","James P. Collman; Steven T. Harford","Structural and Spectroscopic Characterization of a Metal-Metal Bonded Ruthenium Porphyrin Dimer Cation","Inorganic Chemistry","1998","37","","4152","4153","10.1021/ic9714798","","","0.7107","MoKalpha","","","0.08","","","0.105","","","","","3.15","3.15","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323514","10.319","0.002","10.319","","13.859","0.003","90","","90","","90","","1475.7","0.4","296.2","","296.2","","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- K8 Tl10 Zn -","- K8 Tl10 Zn -","- K16 Tl20 Zn2 -","2","0.125","","Zhen-Chao Dong; Robert W. Henning; John D. Corbett","K8Tl10Zn: A Zintl Phase Containing the Zinc-Centered Thallium Polyanion Tl10Zn8-","Inorganic Chemistry","1997","36","","3559","3561","10.1021/ic970309s","","","0.7107","MoKalpha","","","0.0366","","","0.0364","","","","","1.07","1.07","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323778","14.392","0.001","14.392","0.001","14.436","0.001","90","","90","","90","","2990.1","0.4","293","2","293","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","tetrakis-(di-(tolyl)-formaminidinatodiplatinate(II-III) hexafluorophosphate","","- C60 H60 F6 N8 P Pt2 -","- C60 H60 F6 N8 P Pt2 -","- C120 H120 F12 N16 P2 Pt4 -","2","0.125","","F. Albert Cotton; John H. Matonic; Carlos A. Murillo","Synthesis and Structural Studies of Platinum Complexes Containing Monodentate, Bridging, and Chelating Formamidine Ligands","Inorganic Chemistry","1996","35","","498","503","10.1021/ic950741e","","","0.7093","Mo","","0.023","0.0191","","0.0519","0.0491","","","","1.135","1.137","1.137","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4330731","16.043","0.002","16.043","0.002","20.62","0.004","90","","90","","90","","5307.1","1.4","193","2","193","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","","","- C128 H0 Ag8 Pt4 -","- C128 Ag8 Pt4 -","- C256 Ag16 Pt8 -","2","0.125","","Qiao-Hua Wei; Li-Jing Han; Yi Jiang; Xiao-Xia Lin; Ya-Nan Duan; Guo-Nan Chen","Electrochemiluminescence Properties of [Pt2Ag4(C\τbCC6H4R)8]n (R = CH3, n= 1; R = H, n= 1 and 2) with Amine (TPrA and DBAE) as the Coreactant and Determination of Sudan I","Inorganic Chemistry","2012","51","","11117","11125","10.1021/ic3016657","","","0.71073","synchrotron","","0.0782","0.0659","","","0.1837","0.1968","","","","","","1.081","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4335740","24.7045","0.0009","24.7045","0.0009","30.7712","0.0016","90","","90","","90","","18780","1.4","150","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C34 H54 Cl2 N2 O2 Ti -","- C34 H54 Cl2 N2 O2 Ti -","- C544 H864 Cl32 N32 O32 Ti16 -","16","1","","Sónia Barroso; Filipe Madeira; Maria José Calhorda; M. João Ferreira; M. Teresa Duarte; Ana M. Martins","Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes","Inorganic Chemistry","2013","52","","9427","9439","10.1021/ic401008y","","x-ray","0.71073","MoKα","","0.0728","0.0591","","","0.1584","0.1649","","","","","","1.072","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4337067","20.0126","0.0003","20.0126","0.0003","10.3775","0.0003","90","","90","","90","","4156.23","0.15","173","2","173","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C56 H40 Cd Cl2 N12 Zn2 -","- C56 H40 Cd Cl2 N12 Zn2 -","- C112 H80 Cd2 Cl4 N24 Zn4 -","2","0.125","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0452","0.035","","","0.0822","0.0867","","","","","","1.037","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4340785","17.9799","0.0015","17.9799","0.0015","30.999","0.003","90","","90","","90","","10021.3","1.5","93","2","93","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C72 H84 N12 O16 P4 Zn4 -","- C72 H84 N12 O16 P4 Zn4 -","- C288 H336 N48 O64 P16 Zn16 -","4","0.25","","Kalita, Alok Ch; Gogoi, Nayanmoni; Jangir, Ritambhara; Kuppuswamy, Subramaniam; Walawalkar, Mrinalini G.; Murugavel, Ramaswamy","Ab initio chemical synthesis of designer metal phosphate frameworks at ambient conditions.","Inorganic chemistry","2014","53","17","8959","8969","10.1021/ic500810d","","","0.71075","MoKα","","0.1019","0.0674","","","0.1883","0.2167","","","","","","1.114","","","","has coordinates,has disorder","179510","2020-10-21","18:00:00",""
"4343238","19.4643","0.0004","19.4643","0.0004","25.534","0.0009","90","","90","","90","","9673.8","0.4","173","2","173","2","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","","- C88 H100 F4 N16 O96 P2 W24 Zn3 -","- C88 H96 F4 N16 O96 P2 W24 Zn3 -","- C176 H192 F8 N32 O192 P4 W48 Zn6 -","2","0.125","","Liao, Jian-Zhen; Zhang, Hai-Long; Wang, Sa-Sa; Yong, Jian-Ping; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong","Multifunctional radical-doped polyoxometalate-based host-guest material: photochromism and photocatalytic activity.","Inorganic chemistry","2015","54","9","4345","4350","10.1021/acs.inorgchem.5b00041","","","1.54184","CuKα","","0.0628","0.0579","","","0.128","0.131","","","","","","1.228","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4346181","25.5002","0.0006","25.5002","0.0006","17.3192","0.0006","90","","90","","90","","11262","0.5","90","0.5","90","0.5","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","tetrakis(2-methoxy-1,3-phenylenebis(dipropionylmethanato))tetracopper acetonitrile solvate","","","- C97.5 H124.25 Cu4 N6.75 O20 -","- C84 H104 Cu4 O20 -","- C336 H416 Cu16 O80 -","4","0.25","","Cherutoi, Jackson K.; Sandifer, Jace D.; Pokharel, Uttam R.; Fronczek, Frank R.; Pakhomova, Svetlana; Maverick, Andrew W.","Externally and Internally Functionalized Copper(II) β-Diketonate Molecular Squares.","Inorganic chemistry","2015","54","16","7791","7802","10.1021/acs.inorgchem.5b00792","","","1.54184","CuKα","","0.0465","0.0435","","","0.1362","0.1392","","","","","","1.069","","","","has coordinates,has disorder","231646","2020-10-21","18:00:00",""
"4346272","23.2385","0.0004","23.2385","0.0004","12.7837","0.0004","90","","90","","90","","6903.6","0.3","180","2","180","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C96 H216 Cu20 P8 S10 -","- C96 H216 Cu20 P8 S10 -","- C192 H432 Cu40 P16 S20 -","2","0.125","","Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian","Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study.","Inorganic chemistry","2015","54","19","9413","9422","10.1021/acs.inorgchem.5b01146","","","1.54178","CuKα","","0.0552","0.0438","","","0.1047","0.1112","","","","","","0.937","","","","has coordinates","231701","2020-10-21","18:00:00",""
"4347837","13.7022","0.0014","13.7022","0.0014","13.5358","0.001","90","","90","","90","","2541.4","0.4","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C66 H32 Mn2 N18 O -","- C66 H32 Mn2 N18 O -","- C132 H64 Mn4 N36 O2 -","2","0.125","","Ikeda, Mitsuo; Murakawa, Hiroshi; Matsuda, Masaki; Hanasaki, Noriaki","Phthalocyanine-Based Single-Component Molecular Conductor [Mn(III)(Pc)(CN)]2O.","Inorganic chemistry","2016","55","15","7314","7316","10.1021/acs.inorgchem.6b00678","","","0.71075","MoKα","","0.1159","0.0726","","","0.1614","0.1874","","","","","","1.121","","","","has coordinates,has disorder","232534","2020-10-21","18:00:00",""
"4349310","21.956","0.003","21.956","0.003","23.591","0.003","90","","90","","90","","11372","3","150","2","150","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C140 H196 Mn29 N30 O80 -","- C140 Mn29 N30 O80 -","- C280 Mn58 N60 O160 -","2","0.125","","Alexandropoulos, Dimitris I.; Fournet, Adeline; Cunha-Silva, Luís; Christou, George; Stamatatos, Theocharis C.","""Molecular Nanoclusters"": A 2-nm-Sized {Mn<sub>29</sub>} Cluster with a Spherical Structure.","Inorganic chemistry","2016","55","23","12118","12121","10.1021/acs.inorgchem.6b02363","","","0.71073","MoKα","","0.076","0.0628","","","0.1627","0.1712","","","","","","1.056","","","","has coordinates,has disorder","233842","2020-10-21","18:00:00",""
"4503690","12.7035","0.0011","12.7035","0.0011","25.438","0.005","90","","90","","90","","4105.2","1","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C10 H16 N8 O5 Zn2 -","- C10 H16.03 N8 O5.01 Zn2 -","- C80 H128.24 N64 O40.08 Zn16 -","8","0.5","","Lin, Yan-Yong; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","Pillaring Zn-Triazolate Layers with Flexible Aliphatic Dicarboxylates into Three-Dimensional Metal−Organic Frameworks","Crystal Growth & Design","2008","8","10","3673","","10.1021/cg800289c","","","0.71073","MoKα","","0.1173","0.0586","","","0.1739","0.2114","","","","","","1.139","","","","has coordinates,has disorder","179571","2020-10-21","18:00:00",""
"4504506","15.511","0.002","15.511","0.002","22.398","0.005","90","","90","","90","","5388.8","1.6","173","2","173","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","none","p-hexanoyl calix[4]arene. dioxane","","- C56 H72 O10 -","- C52 H36 O13.03 -","- C208 H144 O52.12 -","4","0.25","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.71073","MoKα","","0.2346","0.11","","","0.2997","0.3693","","","","","","1.153","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504507","15.433","0.002","15.433","0.002","22.654","0.005","90","","90","","90","","5395.7","1.5","173","2","173","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","none","p-hexanoyl calix[4]arene. tetrahydrofurane","","- C52 H72 O9 -","- C57 H28 O8 -","- C228 H112 O32 -","4","0.25","","Ramon, Gaelle; Coleman, Anthony W.; Nassimbeni, Luigi R.","Inclusion of Terpenes bypara-Acyl Calix[4]arenes","Crystal Growth & Design","2006","6","1","132","","10.1021/cg050240w","","","0.71073","MoKα","","0.1955","0.1158","","","0.3284","0.3789","","","","","","1.321","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4508867","15.4735","0.0012","15.4735","0.0012","22.604","0.003","90","","90","","90","","5412.1","0.9","125","2","125","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C58 H76 O9.5 -","- C58.08 H76.16 O9.52 -","- C232.32 H304.64 O38.08 -","4","0.25","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.1429","0.0756","","","0.1958","0.2707","","","","","","1.106","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508869","15.4867","0.0013","15.4867","0.0013","22.675","0.003","90","","90","","90","","5438.3","1","125","2","125","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C56 H71 Br Cl F3 O9 -","- C56 H71 Br Cl F3 O9 -","- C224 H284 Br4 Cl4 F12 O36 -","4","0.25","","Ananchenko, Gennady S.; Udachin, Konstantin A.; Pojarova, Michaela; Dubes, Alix; Ripmeester, John A.; Jebors, Said; Coleman, Anthony W.","Van der Waals Nanocapsular Complexes of Amphiphilic Calixarenes","Crystal Growth & Design","2006","6","9","2141","","10.1021/cg0603826","","","0.7107","MoKα","","0.149","0.1049","","","0.3049","0.3499","","","","","","1.351","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4515350","13.075","0.0009","13.075","","8.3362","0.0008","90","","90","","90","","1425.12","0.17","200","","200","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C22.62 H16 Cu F6 N8 O5.25 Si -","- C22.624 H16 Cu F6 N8 O5.248 Si -","- C45.248 H32 Cu2 F12 N16 O10.496 Si2 -","2","0.125","","Jiang, Mengdie; Li, Bin; Cui, Xili; Yang, Qiwei; Bao, Zongbi; Yang, Yiwen; Wu, Hui; Zhou, Wei; Chen, Banglin; Xing, Huabin","Controlling Pore Shape and Size of Interpenetrated Anion-Pillared Ultramicroporous Materials Enables Molecular Sieving of CO<sub>2</sub> Combined with Ultrahigh Uptake Capacity.","ACS applied materials & interfaces","2018","10","19","16628","16635","10.1021/acsami.8b03358","powder diffraction","neutron","2.0775","","","","","","","","","0.0953","","1.34","","","","","","","has coordinates","225508","2020-10-21","18:00:00",""
"7012755","14.864","0.0007","14.864","0.0007","21.4507","0.0014","90","","90","","90","","4739.3","0.4","293","2","293","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C4 H30 Mo8 N O30.5 S4 -","- C4 H8 Mo8 N O30.5 S4 -","- C16 H32 Mo32 N4 O122 S16 -","4","0.25","","Zhan, Xiao-Ping; Lu, Can-Zhong; Yang, Wen-Bin; Ma, Hong-Wei; Wu, Chuan-De; Zhang, Quan-Zheng","[Mo8S4O12(OH)8(C2O4)]: a novel polyoxothiomolybdate ring synthesized via a hydrothermal method","Dalton Transactions","2003","","8","1457","","10.1039/b300828b","","","0.71073","MoKα","","0.1011","0.0659","","","0.2534","0.3075","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020986","28.355","0.0002","28.355","0.0002","33.188","0.0005","90","","90","","90","","26683.4","0.5","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C408 H700 Cd30 N60 O194 -","- C408 H504 Cd30 N48 O126 -","- C816 H1008 Cd60 N96 O252 -","2","0.125","","Gong, Wei-Jie; Liu, Ying-Ying; Yang, Jin; Wu, Hua; Ma, Jian-Fang; Xie, Teng-Feng","An unprecedented octahedral {Cd30} nanocage supported by twelve pendant-armed tetraacetate macrocyclic ligands","Dalton Transactions","2013","42","10","3304","","10.1039/c3dt32801e","","","1.54184","CuKα","","0.1395","0.1157","","","0.2394","0.248","","","","","","1.198","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7021897","12.6724","0.0004","12.6724","0.0004","25.2868","0.0016","90","","90","","90","","4060.8","0.3","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C12 H10 N8 O4 Zn2 -","- C12 H10 N8 O4 Zn2 -","- C96 H80 N64 O32 Zn16 -","8","0.5","","Luo, Ming-Biao; Yuan, Zi-Zun; Xu, Wen-Yuan; Luo, Feng; Li, Jian-Qiang; Zhu, Yan; Feng, Xue-Feng; Liu, Shu-Juan","Framework isomers controlled by the speed of crystallization: different aggregation fashions of Zn(ii) and 1,2,4-triazol-3-amine, distinct (3,4)-connected self-penetrating nets, and various pore shapes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13802","13805","10.1039/c3dt51454d","","","0.71073","MoKα","","0.0323","0.0291","","","0.0847","0.0869","","","","","","1.121","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7027611","22.0685","0.0008","22.0685","0.0008","17.4908","0.0015","90","","90","","90","","8518.3","0.9","183","2","183","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C148 H192 Cl8 N16 O24 Pd8 -","- C148 H112 Cl8 N16 O24 Pd8 -","- C296 H224 Cl16 N32 O48 Pd16 -","2","0.125","","Colquhoun, Howard M.; Fairman, Richard A.; Tootell, Paula; Williams, David J.","An octanuclear pyromellitimidato(2−) palladium complex: coordinative assembly of a molecular box","Journal of the Chemical Society, Dalton Transactions","1999","","16","2651","","10.1039/a904857j","","","1.54178","CuKα","","0.0873","0.0501","","0.1277","0.108","","","","1.032","1.131","1.131","","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7101703","15.4022","0.0012","15.4022","0.0012","22.825","0.004","90","","90","","90","","5414.7","1","125","2","125","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","para-octanoylcalix(4)arene","","","- C60 H80 O8 -","- C60 H80 O8 -","- C240 H320 O32 -","4","0.25","","Ananchenko, Gennady S; Udachin, Konstantin A; Pojarova, Michaela; Jebors, Said; Coleman, Anthony W; Ripmeester, John A","A molecular turnstile in para-octanoyl calix[4]arene nanocapsules.","Chemical communications (Cambridge, England)","2007","","7","707","709","10.1039/b613972h","","","0.7107","MoKα","","0.1447","0.1164","","","0.3371","0.3963","","","","","","1.918","","","","has coordinates,has disorder","180119","2020-10-21","18:00:00",""
"7102806","15.5336","0.0009","15.5336","0.0009","22.658","0.002","90","","90","","90","","5467.2","0.7","125","2","125","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","para hexanoyl calix(4)arene SG1","","","- C14.63 H19.63 N0.13 O2.5 P0.13 -","- C14.69 H19.77 N0.13 O2.52 P0.13 -","- C235.04 H316.32 N2.08 O40.32 P2.08 -","16","1","","Ananchenko, Gennady S.; Udachin, Konstanin A.; Coleman, Anthony W.; Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Ripmeester, John A.","Crystalline inclusion complex of a calixarene with a nitroxide","Chemical Communications (Cambridge, United Kingdom)","2008","","2","223","225","10.1039/b714738d","","","0.7107","MoKα","","0.0891","0.065","","","0.173","0.2138","","","","","","1.094","","","","has coordinates,has disorder","210799","2020-10-21","18:00:00",""
"7104934","15.183","0.0002","15.183","0.0002","15.9887","0.0003","90","","90","","90","","3685.77","0.1","100","2","100","2","","","","","","","","2","P 4/n n c :2","-P 4a 2bc","126","","","","- C108 F48 -","- C108 F48 -","- C216 F96 -","2","0.125","","Troyanov, Sergey I; Tamm, Nadezhda B","Cage connectivities of C88 (33) and C92 (82) fullerenes captured as trifluoromethyl derivatives, C88(CF3)18 and C92(CF3)16.","Chemical communications (Cambridge, England)","2009","","40","6035","6037","10.1039/b912839e","","","0.905","synchrotron","","0.0617","0.0519","","","0.1429","0.1498","","","","","","1.275","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7113320","16.589","0.002","16.589","0.002","9.584","0.002","90","","90","","90","","2637.5","0.7","90","","90","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C64 H40 Cu2 N2 O8 -","- C64 H40 Cu2 N2 O8 -","- C128 H80 Cu4 N4 O16 -","2","0.125","","Yuichi Takasaki; Satoshi Takamizawa","A preferable molecular crystal membrane for H2 gas separation","Chem.Commun.","2014","50","","5662","","10.1039/C4CC01494D","","","0.71073","MoKα","","0.0806","0.0519","","","0.14","0.1493","","","","","","0.958","","","","has coordinates","180247","2020-10-21","18:00:00",""
"7114462","11.9026","0.0017","11.9026","0.0017","32.876","0.007","90","","90","","90","","4657.6","1.4","150","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","(2H[2.2.2]cryptand)2+(p-sulfonatocalix[4]arene)4-2(M(H2O)4)3+2","","","- C9.25 H10.75 N0.25 Nd0.25 O6.38 S -","- C9.26 H8.25 N0.25 Nd0.25 O6.38 S -","- C148.16 H132 N4 Nd4 O102.08 S16 -","16","1","","Dalgarno, Scott J.; Raston, Colin L.","Capture of di-protonated [2.2.2]cryptand in the cavity of two p-sulfonated calixarenes as part of 2-D bi-layer lanthanide coordination polymers","Chemical Communications","2002","","19","2216","","10.1039/b207922b","","","0.71073","MoKα","","0.1219","0.0686","","","0.1767","0.2046","","","","","","1.186","","","","has coordinates,has disorder","180258","2020-10-21","18:00:00",""
"7116024","21.974","0.003","21.974","0.003","16.49","0.003","90","","90","","90","","7962","2","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C100 H152 Cu16 N40 O64 -","- C100 H136 Cu16 N40 O64 -","- C200 H272 Cu32 N80 O128 -","2","0.125","","Andreas K. Kostopoulos; Athanassios D. Katsenis; Jamie M. Frost; Vadim G. Kessler; Euan K. Brechin; Giannis S. Papaefstathiou","Circular serendipity: in situ ligand transformation for the self-assembly of an hexadecametallic [CuII16] wheel","Chem.Commun.","2014","50","","15002","","10.1039/C4cc07582J","","","0.71073","MoKα","","0.0817","0.0632","","","0.1549","0.1639","","","","","","1.167","","","","has coordinates,has disorder","180274","2020-10-21","18:00:00",""
"7125372","18.2767","0.0004","18.2767","0.0004","30.7812","0.0009","90","","90","","90","","10282.1","0.4","396","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C36 H43 N8 O8 P2 Zn2 -","- C36 H43 N8 O8 P2 Zn2 -","- C288 H344 N64 O64 P16 Zn16 -","8","0.5","","Sharma, Kamna; Gupta, Sandeep K.; Borah, Aditya; Murugavel, Ramaswamy","Hitherto unknown eight-connected frameworks formed from A<sub>4</sub>B<sub>4</sub>O<sub>12</sub> metal organophosphate heterocubanes.","Chemical communications (Cambridge, England)","2019","55","55","7994","7997","10.1039/c9cc01893j","","","0.71075","MoKα","","0.1491","0.0955","","","0.2324","0.2683","","","","","","1.07","","","","has coordinates,has disorder","237833","2020-10-21","18:00:00",""
"7125525","22.5679","0.0015","22.5679","0.0015","13.0099","0.0012","90","","90","","90","","6626.1","0.9","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","[MoO(3,6-DBCat)2]4","","- C14 H20 Mo0.5 O2.5 -","- C14 H20 Mo0.5 O2.5 -","- C224 H320 Mo8 O40 -","16","1","","Liu, Cai-Ming; Restorp, Per; Nordlander, Ebbe; Pierpont, Cortlandt G.","Oxo-deficient dioxylene complexes of Mo(vi) containing 3,6-di-tert-butylcatechol","Chemical Communications","2001","","24","2686","","10.1039/b108220e","","","0.71073","MoKα","","0.0902","0.0584","","0.2116","0.1878","","","","1.261","1.373","1.373","","","","","has coordinates","243984","2020-10-21","18:00:00",""
"7131768","17.323","0.003","17.323","0.003","18.354","0.004","90","","90","","90","","5507.8","1.8","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","","","- C33 H38.5 Be2 O2.25 -","- C32 H36 Be2 O2 -","- C256 H288 Be16 O16 -","8","0.5","","Tröster, Tobias; Endres, Franziska; Arrowsmith, Merle; Endres, Lukas; Fantuzzi, Felipe; Braunschweig, Holger","Dibenzoberylloles: antiaromatic s-block fluorene analogues","Chemical Communications","2023","","","","","10.1039/D3CC02736H","","x-ray","0.71073","MoKα","K-L~2,3~","0.0689","0.0484","","","0.1006","0.1092","","","","","","1.055","","","","has coordinates,has disorder","284552","2023-06-29","08:25:26",""
"7154208","19.221","0.003","19.221","0.003","26.996","0.004","90","","90","","90","","9974","3","123","2","123","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","","","- C113 H99 N9 O10 -","- C113 H99 N9 O10 -","- C452 H396 N36 O40 -","4","0.25","","Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu","Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state.","Organic & biomolecular chemistry","2015","13","6","1647","1653","10.1039/c4ob02251c","","x-ray","0.71073","MoKα","","0.1074","0.0984","","","0.2778","0.2863","","","","","","1.072","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7202061","15.5514","0.0002","15.5514","0.0002","22.5951","0.0007","90","","90","","90","","5464.5","0.2","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","p-hexanoylcalix(4)arene","p-hexanoylcalix[4]arene","","- C115.76 H152.28 N O18.88 -","- C116.76 H152.28 N O18.88 -","- C233.52 H304.56 N2 O37.76 -","2","0.125","","Polovyanenko, Dmitriy N.; Bagryanskaya, Elena G.; Schnegg, Alexander; Möbius, Klaus; Coleman, Anthony W.; Ananchenko, Gennady S.; Udachin, Konstantin A.; Ripmeester, John A.","Inclusion of 4-methoxy-2,2,6,6-tetramethylpiperidine-N-oxyl in a calixarene nanocapsule in the solid state","Physical Chemistry Chemical Physics","2008","10","34","5299","5307","10.1039/b803296c","","","0.7107","MoKα","","0.1181","0.0716","","","0.1845","0.2467","","","","","","1.181","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7206016","20.0609","0.0003","20.0609","0.0003","37.6855","0.0012","90","","90","","90","","15166.1","0.6","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C210 H330 Cl2 Dy14 N24 O143 S16 -","- C210 H200 Cl2 Dy14 N24 O122 S16 -","- C420 H400 Cl4 Dy28 N48 O244 S32 -","2","0.125","","Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate","CrystEngComm","2011","13","10","3345","","10.1039/c1ce05211j","","","0.71073","MoKα","","0.0669","0.0453","","","0.1317","0.1456","","","","","","1.085","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7206017","21.7073","0.0005","21.7073","0.0005","22.5476","0.0007","90","","90","","90","","10624.6","0.5","150","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C127 H222 Cl2 Dy12 N16 O113 -","- C112 H80 Cl2 Dy12 N16 O56 -","- C224 H160 Cl4 Dy24 N32 O112 -","2","0.125","","Miao, Yan-Li; Liu, Jun-Liang; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Chloride templated formation of {Dy12(OH)16}20+ cluster core incorporating 1,10-phenanthroline-2,9-dicarboxylate","CrystEngComm","2011","13","10","3345","","10.1039/c1ce05211j","","","0.71073","MoKα","","0.1036","0.0745","","","0.2502","0.2876","","","","","","1.13","","","","has coordinates","180391","2020-10-21","18:00:00",""
"7209280","12.6672","0.0006","12.6672","0.0006","25.4399","0.0018","90","","90","","90","","4082","0.4","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C6 H5 N4 O2 Zn -","- C6 H5 N4 O2 Zn -","- C96 H80 N64 O32 Zn16 -","16","1","","Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2","CrystEngComm","2013","15","11","2057","","10.1039/c3ce26800d","","","0.71073","MoKα","","0.0501","0.0414","","","0.1153","0.1212","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209281","12.5845","0.0005","12.5845","0.0005","25.4464","0.0014","90","","90","","90","","4029.9","0.3","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C6 H5 Co N4 O2 -","- C6 H5 Co N4 O2 -","- C96 H80 Co16 N64 O32 -","16","1","","Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2","CrystEngComm","2013","15","11","2057","","10.1039/c3ce26800d","","","0.71073","MoKα","","0.0641","0.0579","","","0.1564","0.1602","","","","","","1.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209586","12.7","0.003","12.7","0.003","25.364","0.005","90","","90","","90","","4091","1.6","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C12 H10 N8 O5 Zn2 -","- C12 H10 N8 O5 Zn2 -","- C96 H80 N64 O40 Zn16 -","8","0.5","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0844","0.0585","","","0.1628","0.1833","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210296","23.986","0.006","23.986","0.006","10.481","0.004","90","","90","","90","","6030","3","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C7 H8 O6.5 P Zn -","- C7 H4 O6.5 P Zn -","- C112 H64 O104 P16 Zn16 -","16","1","","Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong","Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies","CrystEngComm","2013","15","35","7056","","10.1039/c3ce40673c","","","0.71073","MoKα","","0.0962","0.0866","","","0.2631","0.274","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7220436","12.8494","0.0013","12.8494","0.0013","25.11","0.003","90","","90","","90","","4145.8","0.8","100","2","100","2","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- C46.5 H62 O4.5 -","- C46.5 H56 O4.5 -","- C186 H224 O18 -","4","0.25","","Morohashi, Naoya; Nanbu, Kazuki; Tonosaki, Ayano; Noji, Shintaro; Hattori, Tetsutaro","Comparison of inclusion properties between p-tert-butylcalix[4]arene and p-tert-butylthiacalix[4]arene towards primary alcohols in crystals","CrystEngComm","2015","17","26","4799","","10.1039/C5CE00370A","","","0.71073","MoKα","","0.0693","0.0579","","","0.1849","0.1948","","","","","","1.56","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7243585","19.937","0.005","19.937","0.005","6.4202","0.0016","90","","90","","90","","2551.9","1.1","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","(bis)phthalocyanine neodymium","(phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C128 H64 N32 Nd2 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0785","0.0647","","","0.3028","0.3147","","","","","","1.399","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243588","19.9227","0.0006","19.9227","0.0006","6.3925","0.0004","90","","90","","90","","2537.27","0.19","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","bis(phthalocyaninato)-lanthanum","(phthalocyaninato)-(phthalocyaninato-radical)-lathanum(III)","","- C64 H32 La N16 -","- C64 H32 La N16 -","- C128 H64 La2 N32 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0948","0.0803","","","0.2442","0.2526","","","","","","1.932","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243597","19.548","0.004","19.548","0.004","6.477","0.002","90","0.03","90","0.03","90","0.03","2475","1","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","bis(phthalocyaninato) dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(III)","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C128 H64 Dy2 N32 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0702","0.07","","","0.1907","0.1909","","","","","","1.509","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7245670","13.3479","0.0004","13.3479","0.0004","46.0809","0.0018","90","","90","","90","","8210.1","0.5","200","","200","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C82 H142 O44 S8 Tb9 -","- C82 H142 O44 S8 Tb9 -","- C164 H284 O88 S16 Tb18 -","2","0.125","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0787","0.0628","","","0.1582","0.1731","","","","","","1.107","","","","has coordinates,has disorder","278560","2022-10-13","01:29:19",""
"7245672","13.3613","0.0004","13.3613","0.0004","46.1864","0.0017","90","","90","","90","","8245.4","0.5","200","","200","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C82 H144 Gd9 O44 S8 -","- C82 H144 Gd9 O44 S8 -","- C164 H288 Gd18 O88 S16 -","2","0.125","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0537","0.0454","","","0.1269","0.1352","","","","","","1.061","","","","has coordinates,has disorder","278560","2022-10-13","01:29:19",""
"7245673","13.2526","0.0004","13.2526","0.0004","46.0114","0.0019","90","","90","","90","","8081","0.5","200","","200","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C82 H142 Dy9 O44 S8 -","- C82 H142 Dy9 O44 S8 -","- C164 H284 Dy18 O88 S16 -","2","0.125","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0572","0.0498","","","0.1338","0.1411","","","","","","1.058","","","","has coordinates,has disorder","278560","2022-10-13","01:29:19",""
"7707585","18.1524","0.0009","18.1524","0.0009","21.1288","0.0013","90","","90","","90","","6962.1","0.6","100","2","100","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C66 H72 Ag N4 O12 Ru4 -","- C66 H72 Ag N4 O12 Ru4 -","- C264 H288 Ag4 N16 O48 Ru16 -","4","0.25","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.1062","0.1013","","","0.1927","0.1954","","","","","","1.237","","","","has coordinates,has disorder","268730","2021-09-06","11:01:49",""
"7708319","31.691","0.004","31.691","0.004","31.686","0.006","90","","90","","90","","31823","8","103","2","103","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C416 H384 F36 N48 O103 Pd6 S16 -","- C340 H240 F12 N48 O60 Pd6 S4 -","- C680 H480 F24 N96 O120 Pd12 S8 -","2","0.125","","Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions","Dalton Transactions","2021","","","","","10.1039/D1DT00859E","","","0.9","synchrotron","","0.2314","0.1578","","","0.3837","0.4487","","","","","","1.389","","","","has coordinates","269195","2021-09-17","23:04:10",""
"9001022","15.532","","15.532","","11.776","","90","","90","","90","","2840.88","","","","","","","","","","","","","11","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.425 Ca9.14 Cu0.355 F0.533 Fe0.145 H4.25 Mg0.28 Mn0.34 O38.25 Si8.755 Zn0.484 -","- Al5.425 Ca9.14 Cu0.355 F0.533 Fe0.145 H4.25 Mg0.28 Mn0.34 O38.25 Si8.755 Zn0.484 -","- Al21.7 Ca36.56 Cu1.42 F2.132 Fe0.58 H17 Mg1.12 Mn1.36 O153 Si35.02 Zn1.936 -","4","0.25","","Fitzgerald, S.; Rheingold, A. L.; Leavens, P. B.","Crystal structure of Cu-bearing vesuvianite","American Mineralogist","1986","71","","1011","1014","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:32",""
"9001499","15.517","","15.517","","11.781","","90","","90","","90","","2836.6","","","","","","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.44 Ca9.5 Cu0.26 F2.7 H2.3 Mg0.8 O36.3 Si9 -","- Al5.44 Ca9.5 Cu0.26 F2.7 H2.3 Mg0.8 O36.3 Si9 -","- Al21.76 Ca38 Cu1.04 F10.8 H9.2 Mg3.2 O145.2 Si36 -","4","0.25","","Ohkawa, M.; Yoshiasa, A.; Takeno, S.","Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #1 from Sauland","American Mineralogist","1992","77","","945","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001500","15.606","","15.606","","11.825","","90","","90","","90","","2879.95","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.24 Ca9.5 F Fe1.26 H4 O38 Si9 -","- Al5.24 Ca9.5 F Fe1.26 H4 O38 Si9 -","- Al20.96 Ca38 F4 Fe5.04 H16 O152 Si36 -","4","0.25","","Ohkawa, M.; Yoshiasa, A.; Takeno, S.","Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #2 from Sanpo","American Mineralogist","1992","77","","945","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001501","15.583","","15.583","","11.801","","90","","90","","90","","2865.64","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.48 Ca9.5 F3.07 Fe1.02 H1.93 O35.93 Si9 -","- Al5.48 Ca9.5 F3.07 Fe1.02 H1.93 O35.93 Si9 -","- Al21.92 Ca38 F12.28 Fe4.08 H7.72 O143.72 Si36 -","4","0.25","","Ohkawa, M.; Yoshiasa, A.; Takeno, S.","Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #3 from Jinmu","American Mineralogist","1992","77","","945","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9001502","15.546","","15.546","","11.828","","90","","90","","90","","2858.57","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.88 Ca9.5 Fe0.36 H5 Mg0.26 O39 Si9 -","- Al5.88 Ca9.5 Fe0.36 H5 Mg0.26 O39 Si9 -","- Al23.52 Ca38 Fe1.44 H20 Mg1.04 O156 Si36 -","4","0.25","","Ohkawa, M.; Yoshiasa, A.; Takeno, S.","Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #4 from Chichibu","American Mineralogist","1992","77","","945","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:31",""
"9004081","15.516","","15.516","","11.769","","90","","90","","90","","2833.34","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.5 Ca9.46 F1.56 Fe1.098 H4 O37.44 Si9 -","- Al5.5 Ca9.46 F1.56 Fe1.098 H2.44 O37.44 Si9 -","- Al22 Ca37.84 F6.24 Fe4.392 H9.76 O149.76 Si36 -","4","0.25","","Rucklidge J C; Kocman V; Whitlow S H; Gabe E J","The crystal structures of three Canadian vesuvianites Sample: #1 Great Slave Lake","The Canadian Mineralogist","1975","13","","15","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:18",""
"9004082","15.558","","15.558","","11.81","","90","","90","","90","","2858.63","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al4.972 Ca9.052 Fe1.459 H4 Na0.54 O39 Si9 -","- Al4.972 Ca9.052 Fe1.459 H4 Na0.54 O39 Si9 -","- Al19.888 Ca36.208 Fe5.836 H16 Na2.16 O156 Si36 -","4","0.25","","Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J.","The crystal structures of three Canadian vesuvianites Sample: #2 Bancroft","The Canadian Mineralogist","1975","13","","15","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004083","15.543","","15.543","","11.7905","","90","","90","","90","","2848.41","","","","","","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al4.92 Ca10 Fe1.24 H4 Mg0.68 O39 Si9 Ti0.16 -","- Al4.92 Ca10 Fe1.24 H4 Mg0.68 O39 Si9 Ti0.16 -","- Al19.68 Ca40 Fe4.96 H16 Mg2.72 O156 Si36 Ti0.64 -","4","0.25","","Rucklidge, J. C.; Kocman, V.; Whitlow, S. H.; Gabe, E. J.","The crystal structures of three Canadian vesuvianites Sample: #3 Wakefield","The Canadian Mineralogist","1975","13","","15","21","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004256","15.522","","15.522","","11.802","","90","","90","","90","","2843.49","","","","","","","","","","","","","8","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.67 Ca10 Fe0.63 H4 Mg0.56 O39 Si9 Ti0.14 -","- Al5.67 Ca10 Fe0.63 H4 Mg0.56 O39 Si9 Ti0.14 -","- Al22.68 Ca40 Fe2.52 H16 Mg2.24 O156 Si36 Ti0.56 -","4","0.25","","Groat, L. A.; Hawthorne, F. C.; Ercit, T. S.","The role of fluorine in vesuvianite: A crystal-structure study Sample: V12","The Canadian Mineralogist","1992","30","","1065","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004257","15.558","","15.558","","11.805","","90","","90","","90","","2857.42","","","","","","","","","","","","","11","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.84 Ca9.9 Cl0.08 F1.12 Fe0.72 H2.8 Mg0.8 Na0.1 O38.8 Si9 Ti0.64 -","- Al5.84 Ca9.9 Cl0.08 F1.12 Fe0.72 H2.8 Mg0.8 Na0.1 O38.8 Si9 Ti0.64 -","- Al23.36 Ca39.6 Cl0.32 F4.48 Fe2.88 H11.2 Mg3.2 Na0.4 O155.2 Si36 Ti2.56 -","4","0.25","","Groat, L. A.; Hawthorne, F. C.; Ercit, T. S.","The role of fluorine in vesuvianite: A crystal-structure study Sample: V27","The Canadian Mineralogist","1992","30","","1065","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004258","15.563","","15.563","","11.806","","90","","90","","90","","2859.5","","","","","","","","","","","","","10","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al6 Ca10 F1.64 Fe1.04 H2.36 Mg0.72 Mn0.08 O38.36 Si9 Ti0.16 -","- Al6 Ca10 F1.64 Fe1.04 H2.36 Mg0.72 Mn0.08 O38.36 Si9 Ti0.16 -","- Al24 Ca40 F6.56 Fe4.16 H9.44 Mg2.88 Mn0.32 O153.44 Si36 Ti0.64 -","4","0.25","","Groat, L. A.; Hawthorne, F. C.; Ercit, T. S.","The role of fluorine in vesuvianite: A crystal-structure study Sample: V4","The Canadian Mineralogist","1992","30","","1065","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004259","15.538","","15.538","","11.786","","90","","90","","90","","2845.49","","","","","","","","","","","","","10","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al6 Ca10 F1.88 Fe0.88 H2.12 Mg0.8 Mn0.16 O38.12 Si9 Ti0.16 -","- Al6 Ca10 F1.88 Fe0.88 H2.12 Mg0.8 Mn0.16 O38.12 Si9 Ti0.16 -","- Al24 Ca40 F7.52 Fe3.52 H8.48 Mg3.2 Mn0.64 O152.48 Si36 Ti0.64 -","4","0.25","","Groat, L. A.; Hawthorne, F. C.; Ercit, T. S.","The role of fluorine in vesuvianite: A crystal-structure study Sample: V33","The Canadian Mineralogist","1992","30","","1065","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004442","15.736","","15.736","","11.72","","90","","90","","90","","2902.13","","","","","","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al11.04 B2.72 Ca19 Fe2.68 O78.8 Si18 -","- Al11.04 B2.72 Ca19 Fe2.68 O78.8 Si18 -","- Al22.08 B5.44 Ca38 Fe5.36 O157.6 Si36 -","2","0.125","","Groat, L. A.; Hawthorne, F. C.; Lager, G. A.; Schultz, A. J.; Ercit, T. S.","X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: X-ray data, 298 K","The Canadian Mineralogist","1996","34","","1059","1070","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004443","15.725","","15.725","","11.716","","90","","90","","90","","2897.08","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al11.04 B2.72 Ca19 Fe2.68 H8 O78.86 Si18 -","- Al11.04 B2.72 Ca19 Fe2.68 H8 O78.86 Si18 -","- Al22.08 B5.44 Ca38 Fe5.36 H16 O157.72 Si36 -","2","0.125","","Groat, L. A.; Hawthorne, F. C.; Lager, G. A.; Schultz, A. J.; Ercit, T. S.","X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: neutron data, 15 K","The Canadian Mineralogist","1996","34","","1059","1070","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004529","15.533","","15.533","","11.785","","90","","90","","90","","2843.42","","","","","","","","","","","","","9","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al4.36 Ca10 F0.72 Fe0.89 H5 Mg1.67 O38.28 Si9 Ti0.08 -","- Al4.36 Ca10 F0.72 Fe0.89 H5 Mg1.67 O38.28 Si9 Ti0.08 -","- Al17.44 Ca40 F2.88 Fe3.56 H20 Mg6.68 O153.12 Si36 Ti0.32 -","4","0.25","","Lager, G. A.; Xie, Q.; Ross, F. K.; Rossman, G. R.; Armbruster, T.; Rotella, F. J.; Schultz, A. J.","Hydrogen-atom positions in P4/nnc vesuvianite","The Canadian Mineralogist","1999","37","","763","768","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004737","7.0267","","7.0267","","20.807","","90","","90","","90","","1027.33","","","","","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","Torbernite","- Cu H24 O24 P2 U2 -","- Cu H24 O24 P2 U2 -","- Cu2 H48 O48 P4 U4 -","2","0.125","","Locock, A. J.; Burns, P. C.","Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite","The Canadian Mineralogist","2003","41","","489","502","10.2113/gscanmin.41.2.489","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004738","7.1797","","7.1797","","20.857","","90","","90","","90","","1075.14","","","","","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","Zeunerite","- As2 Cu H24 O24 U2 -","- As2 Cu H24 O24 U2 -","- As4 Cu2 H48 O48 U4 -","2","0.125","","Locock, A. J.; Burns, P. C.","Crystal structures and synthesis of the copper-dominant members of the autunite and meta-autunite groups: Torbernite, zeunerite, metatorbernite and metazeunerite","The Canadian Mineralogist","2003","41","","489","502","10.2113/gscanmin.41.2.489","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004768","15.536","","15.536","","11.781","","90","","90","","90","","2843.55","","","","","","","","","","","","Dokichan River, Tas-Khayakhtakh Mountains, Russia","11","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.032 Ca9.46 Cl0.216 F1.44 Fe0.664 H2.844 Mg0.62 Na0.04 O37.344 Si8.955 Ti0.216 -","- Al5.032 Ca9.46 Cl0.216 F1.44 Fe0.664 H2.844 Mg0.62 Na0.04 O37.344 Si8.955 Ti0.216 -","- Al20.128 Ca37.84 Cl0.864 F5.76 Fe2.656 H11.376 Mg2.48 Na0.16 O149.376 Si35.82 Ti0.864 -","4","0.25","","Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M.","Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES1 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia","The Canadian Mineralogist","2003","41","","843","856","10.2113/gscanmin.41.4.843","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004769","15.529","","15.529","","11.772","","90","","90","","90","","2838.82","","","","","","","","","","","","Dokichan River, Tas-Khayakhtakh Mountains, Russia","11","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.2 Ca9.46 Cl0.23 F1.674 Fe0.62 H2.6 Mg0.516 Na0.04 O37.1 Si8.948 Ti0.164 -","- Al5.2 Ca9.46 Cl0.23 F1.674 Fe0.62 H2.6 Mg0.516 Na0.04 O37.1 Si8.948 Ti0.164 -","- Al20.8 Ca37.84 Cl0.92 F6.696 Fe2.48 H10.4 Mg2.064 Na0.16 O148.4 Si35.792 Ti0.656 -","4","0.25","","Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M.","Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES2 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia","The Canadian Mineralogist","2003","41","","843","856","10.2113/gscanmin.41.4.843","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004770","15.513","","15.513","","11.778","","90","","90","","90","","2834.41","","","","","","","","","","","","Dokichan River, Tas-Khayakhtakh Mountains, Russia","11","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.428 Ca9.46 Cl0.2 F1.65 Fe0.552 H2.6 Mg0.432 Na0.04 O37.1 Si8.959 Ti0.092 -","- Al5.428 Ca9.46 Cl0.2 F1.65 Fe0.552 H2.6 Mg0.432 Na0.04 O37.1 Si8.959 Ti0.092 -","- Al21.712 Ca37.84 Cl0.8 F6.6 Fe2.208 H10.4 Mg1.728 Na0.16 O148.4 Si35.836 Ti0.368 -","4","0.25","","Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M.","Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES4 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia","The Canadian Mineralogist","2003","41","","843","856","10.2113/gscanmin.41.4.843","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004801","15.5295","","15.5295","","11.7808","","90","","90","","90","","2841.12","","","","","","","","","","","","Pitkaranta, Karelia, Russia","8","P 4/n n c :2","-P 4a 2bc","126","","","Fluorvesuvianite","- Al10.24 Ca19 F5.76 Fe1.368 H Mg1.36 O72.24 Si17.606 -","- Al10.24 Ca19 F5.76 Fe1.368 H Mg1.36 O72.24 Si17.606 -","- Al20.48 Ca38 F11.52 Fe2.736 H2 Mg2.72 O144.48 Si35.212 -","2","0.125","","Britvin, S. N.; Antonov, A. A.; Krivovichev, S. V.; Armbruster, T.; Burns, P. C.; Chukanov, N. V.","Fluorvesuvianite, Ca19(Al,Mg,Fe)13[SiO4]10[Si2O7]4O(F,OH)9, a new mineral species from Pitkaranta, Karelia, Russia: Description and crystal structure","The Canadian Mineralogist","2003","41","","1371","1380","10.2113/gscanmin.41.6.1371","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004959","15.716","","15.716","","11.704","","90","","90","","90","","2890.8","","","","","","","","","","","","","16","P 4/n n c :2","-P 4a 2bc","126","","","Wiluite","- Al6.98 B2.86 Be0.02 Ca18.659 Ce0.04 F1.21 Fe1.91 H0.79 La0.05 Mg3.9 Mn0.11 Nd0.01 O78.83 Si18 Sr0.02 Ti0.27 -","- Al6.98 B2.86 Be0.02 Ca18.6589 Ce0.04 F1.20992 Fe1.91 H0.79 La0.05 Mg3.9 Mn0.11 Nd0.01 O78.8301 Si18 Sr0.02 Ti0.27 -","- Al13.96 B5.72 Be0.04 Ca37.3178 Ce0.08 F2.41984 Fe3.82 H1.58 La0.1 Mg7.8 Mn0.22 Nd0.02 O157.66 Si36 Sr0.04 Ti0.54 -","2","0.125","","Bellatreccia, F.; Camara, F.; Ottolini, L.; Della Ventura, G.; Cibin, G.; Mottana, A.","Wiluite from Ariccia, Latium, Italy: Occurrence and crystal structure Locality: Ariccia, Latium, Italy","The Canadian Mineralogist","2005","43","5","1457","1468","10.2113/gscanmin.43.5.1457","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9010614","15.678","","15.678","","11.828","","90","","90","","90","","2907.32","","","","","","","","","","","","Wiluy River, Sakha-Yakutia, Russia","10","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al8.318 B0.484 Ca19 Cl0.18 Fe0.422 H12.672 Mg4.154 Mn0.106 O77.82 Si16.232 -","- Al8.318 B0.484 Ca19 Cl0.18 Fe0.422 H12.672 Mg4.154 Mn0.106 O77.82 Si16.232 -","- Al16.636 B0.968 Ca38 Cl0.36 Fe0.844 H25.344 Mg8.308 Mn0.212 O155.64 Si32.464 -","2","0.125","","Galuskin, E. V.; Galuskina, I. O.; Stadnicka, K.; Armbruster, T.; Kozanecki, M.","The crystal structure of Si-deficient, OH-substituted, boron-bearing vesuvianite from the Wiluy River, Sakha-Yakutia, Russia","The Canadian Mineralogist","2007","45","","239","248","10.2113/gscanmin.45.2.239","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9014245","15.5852","","15.5852","","11.7782","","90","","90","","90","","2860.91","","","","","","","","","","","","Langban,Sweden","9","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.636 As0.067 Bi0.06 Ca9.156 Cl0.064 Fe0.223 Mn0.864 O39 Si9 -","- Al5.636 As0.0668 Bi0.06 Ca9.156 Cl0.064 Fe0.2229 Mn0.8639 O39.01 Si9 -","- Al22.544 As0.2672 Bi0.24 Ca36.624 Cl0.256 Fe0.8916 Mn3.4556 O156.04 Si36 -","4","0.25","","Groat, L. A.; Evans, R. J.","Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 2","American Mineralogist","2012","97","","1627","1634","10.2138/am.2012.4091","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014836","15.5948","","15.5948","","11.7794","","90","","90","","90","","2864.72","","","","","","","","","","","","Langban,Sweden","8","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al6 As0.078 Bi0.276 Ca8.935 Cl0.4 Mn4.579 O38.63 Si9 -","- Al6 As0.078 Bi0.276 Ca8.935 Cl0.4 Mn4.579 O38.63 Si9 -","- Al24 As0.312 Bi1.104 Ca35.74 Cl1.6 Mn18.316 O154.52 Si36 -","4","0.25","","Groat, L. A.; Evans, R. J.","Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 1","American Mineralogist","2012","97","","1627","1634","10.2138/am.2012.4091","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9016035","7.719","","7.719","","12.018","","90","","90","","90","","716.068","","","","","","","","","","","","","3","P 4/n n c :2","-P 4a 2bc","126","","","","- O3.6 Pb0.875 W -","- O3.6 Pb0.875 W -","- O28.8 Pb7 W8 -","8","0.5","","Moreau, J. M.; Galez, P.; Peigneux, J. P.; Korzhik, M. V.","Structural characterization of PbWO4 and related new phase Pb7W8O(32-x)","Journal of Alloys and Compounds","1996","238","","46","48","10.1016/0925-8388(95)02175-2","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016909","15.7018","","15.7018","","11.8648","","90","","90","","90","","2925.23","","","","","","","","","","","","Langban Mn-Fe deposit, central Sweden","9","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.608 Bi0.496 Ca8.701 Ce0.043 Fe0.612 Mg0.156 Mn0.344 O39 Si8.66 -","- Al5.6896 Bi0.496 Ca8.7014 Ce0.043 Fe0.612 Mg0.156 Mn0.344 O39 Si8.66 -","- Al22.7584 Bi1.984 Ca34.8056 Ce0.172 Fe2.448 Mg0.624 Mn1.376 O156 Si34.64 -","4","0.25","","Halenius, U.; Bosi, F.; Gatedal, K.","Crystal structure and chemistry of skarn-associated bismuthian vesuvianite","American Mineralogist","2013","98","","566","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9016939","15.725","","15.725","","11.7736","","90","","90","","90","","2911.32","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al8.759 As0.416 B2.604 Ca18.696 Fe4.36 O79.048 Si17.769 -","- Al8.7592 As0.416 B2.604 Ca18.696 Fe4.36 O79.048 Si17.7688 -","- Al17.5184 As0.832 B5.208 Ca37.392 Fe8.72 O158.096 Si35.5376 -","2","0.125","","Groat, L. A.; Evans, R. J.; Cempirek, J.; McCammon, C.; Houzar, S.","Fe-rich and As-bearing vesuvianite and wiluite from Kozlov, Czech Republic","American Mineralogist","2013","98","","1330","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:02",""