# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-06T02:15:42+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21 n b' 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
"1001842","7.83","","33.20999","","6.46","","90","","90","","90","","1679.8","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Tetrapotassium hexaniobium oxide","","- K4 Nb6 O17 -","- K4 Nb6 O17 -","- K16 Nb24 O68 -","4","1","","Gasperin, M; le Bihan, M T","Mecanisme d'hydratation des niobates alcalins lamellaires de formule A4 Nb4 O17 (A=K,Rb,Cs)","Journal of Solid State Chemistry","1982","43","","346","353","10.1016/0022-4596(82)90251-1","","","","","","0.147","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1508502","6.474","0.001","6.887","0.001","8.05","0.001","90","","90","","90","","358.92","0.09","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Lithium Dithioindate","","- In Li S2 -","- In Li S2 -","- In4 Li4 S8 -","4","1","","Kish, Z.Z.; Kanishcheva, A.S.; Mikhailov, Yu.N.; Lazarev, V.B.; Semrad, E.E.; Peresh, E.Yu.","Synthesis and crystal stucture of lithium thioindate","Doklady Akademii Nauk SSSR","1985","280","","398","401","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1521952","5.276","","8.768","","9.122","","90","","90","","90","","421.983","","","","","","","","","","","","","5","P 21 n b","P -2bc 2a","33","","Li (N H4) (S O4)","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H16 Li4 N4 O16 S4 -","4","1","","Solans, X.; Mata, J.; Calvet, M.T.; Font-Bardia, M.","X-ray structural characterization, Raman and thermal analysis of Li N H4 S O4 above room temperature","Journal of Physics: Condensed Matter","1999","11","","8995","9007","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527487","6.5","","10.842","","5.051","","90","","90","","90","","355.959","","","","","","","","","","","","","4","P 21 n b","P -2bc 2a","33","","Na Cd (P O4)","","- Cd Na O4 P -","- Cd Na O4 P -","- Cd4 Na4 O16 P4 -","4","1","","Hata, M.; Akao, M.; Okada, K.; Iwai, S.I.; Aoki, H.","The crystal structure of Na Cd P O4","Research Laboratory on Engineering Materials, Tokyo Institute of Technology: Report","1979","4","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535067","10.65","","12.861","","6.362","","90","","90","","90","","871.401","","","","","","","","","","","","","5","P 21 n b","P -2bc 2a","33","","K Fe F (P O4)","","- F Fe K O4 P -","- F Fe K O4 P -","- F8 Fe8 K8 O32 P8 -","8","2","","Belokoneva, E.L.; Tsirel'son, V.G.; Yakubovich, O.V.; Urusov, V.S.","Peculiarities of the crystal structure of K Fe F P O4 at 295 K and 173 K","Doklady Akademii Nauk SSSR","1990","310","","1129","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538755","5.186","","8.345","","19.417","","90","","90","","90","","840.313","","","","","","","","","","","","","4","P 21 n b","P -2bc 2a","33","","K Li (Cr O4)","","- Cr K Li O4 -","- Cr K Li O4 -","- Cr8 K8 Li8 O32 -","8","2","","Klevtsova, R.F.; Glinskaya, L.A.; Ishchenko, V.N.; Klevtsov, P.V.; Perepelitsa, A.P.; Aleksandrov, K.S.; Kruglik, A.I.","K Li Cr O4: Synthesis, crystal structure, and phase transitions","Kristallografiya","1988","33","","630","635","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539829","10.97","","13.035","","19.987","","90","","90","","90","","2858.02","","","","","","","","","","","","","7","P 21 n b","P -2bc 2a","33","","(Cr (O C N2 H4)6) (Pt (O H) Cl5) (Cl O4) (H2 O)","","- C6 H27 Cl6 Cr N12 O12 Pt -","- C6 Cl6 Cr N12 O12 Pt -","- C24 Cl24 Cr4 N48 O48 Pt4 -","4","1","","Bondar, V.I.; Potekhin, K.A.; Rau, T.F.; Struchkov, Yu.T.; Rozman, S.P.; Rau, V.G.","Crystal structure of (Cr (O C N2 H4)6) (Pt (O H) Cl5) (Cl O4) (H2 O)","Doklady Akademii Nauk SSSR","1988","300","","1372","1374","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1556332","11.0873","0.0005","17.9157","0.0008","20.6832","0.0014","90","","90","","90","","4108.4","0.4","100","","100","","","","","","","","","6","P 21 n b","P -2bc 2a","33","Compound 13","","","- C42 H52 Cl2 N4 O3 V -","- C42 H52 Cl2 N4 O3 V -","- C168 H208 Cl8 N16 O12 V4 -","4","1","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71075","MoKα","","0.0776","0.0505","","","0.0899","0.0978","","","","","","1.043","","","","has coordinates","244216","2020-10-21","18:00:00",""
"1559404","6.795","0.001","10.212","0.001","21.521","0.002","90","","90","","90","","1493.4","0.3","","","293","","","","","","","","","5","P 21 n b","P -2bc 2a","33","[C6H5(CH3)3N][(SeCN)2Br]","","","- C11 H14 Br N3 Se2 -","- C11 Br N3 Se2 -","- C44 Br4 N12 Se8 -","4","1","","Hauge, Sverre; Maroy, Kjartan","Reactions between Selenocyanate and Bromine. Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Dibromoselenocyanate, [C6H5(CH3)3N][SeCNBr2], and Bromodiselenocyanate, [C6H5(CH3)3N][(SeCN)2Br]","Acta Chemica Scandinavica","1992","46","","1166","1169","10.3891/acta.chem.scand.46-1166","","x-ray","0.71069","MoKα","","","0.054","","","0.047","","","","","","","1.091","","","","has coordinates","258577","2020-10-23","07:18:14",""
"2001015","8.887","0.002","20.495","0.004","20.78","0.004","90","","90","","90","","3784.8","1.3","","","","","","","","","","","","7","P 21 n b","P -2bc 2a","33","","","","- C43 H37 Cl2 N P2 Ru S -","- C43 H37 Cl2 N P2 Ru S -","- C172 H148 Cl8 N4 P8 Ru4 S4 -","4","1","HE0034","Simpson, S. J.","(η^5^-Cyclopentadienyl)(thiocyanato-<i>N</i>)bis(triphenylphosphine)ruthenium dichloromethane solvate","Acta Crystallographica Section C","1992","48","3","544","545","10.1107/S010827019101106X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206033","2020-10-21","18:00:00",""
"2002182","12.478","","10.813","","3.495","","90","","90","","90","","471.6","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Diholmium dicopper oxide","","- Cu2 Ho2 O5 -","- Cu2 Ho2 O5 -","- Cu8 Ho8 O20 -","4","1","","Freund, H R; Mueller-Buschbaum, Hk","Ueber Oxocuprate, XXIII. Zur Kenntnis von Ho2 Cu2 O5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","609","611","","","","","","","0.129","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002190","12.32","","10.557","","3.281","","90","","90","","90","","426.7","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Diindium dicopper oxide","","- Cu2 In2 O5 -","- Cu2 In2 O5 -","- Cu8 In8 O20 -","4","1","","Freund, H R; Mueller-Buschbaum, Hk","Zur Kenntnis von In2 Cu2 O5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1978","441","","103","106","10.1002/zaac.19784410113","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002326","12.35","","10.698","","3.405","","90","","90","","90","","449.9","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Dilutetium dicopper oxide","","- Cu2 Lu2 O5 -","- Cu2 Lu2 O5 -","- Cu8 Lu8 O20 -","4","1","","Freund, H R; Mueller-Buschbaum, Hk","Ueber Oxocuprate, XXIV. Zur Kenntnis von Lu2 Cu2 O5 und Sc2 Cu2 O5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","1123","1124","","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002327","12.041","","10.452","","3.22","","90","","90","","90","","405.2","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Discandium dicopper oxide","","- Cu2 O5 Sc2 -","- Cu2 O5 Sc2 -","- Cu8 O20 Sc8 -","4","1","","Freund, H R; Mueller-Buschbaum, Hk","Ueber Oxocuprate, XXIV. Zur Kenntnis von Lu2 Cu2 O5 und Sc2 Cu2 O5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","1123","1124","","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003050","11.691","0.002","17.51","0.003","10.683","0.002","90","","90","","90","","2186.9","0.7","293","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","2,4-diisopropyl-1-(3'-methoxycarbonylphenyl)-2,2-dimethyl- 1,2-dihydrobenzocyclobuten-1-ol","","- C24 H30 O3 -","- C24 H30 O3 -","- C96 H120 O12 -","4","1","OA0013","Hosomi, H.; Ito, Y.; Ohba, S.","Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(<i>S</i>)-phenylalaninocarbonylbenzophenone Methyl Ester","Acta Crystallographica Section B","1998","54","6","907","911","10.1107/S0108768198005503","","","0.71073","MoKα","","","0.049","","","0.047","","","","","1.16","1.16","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2003365","7.447","0.001","10.387","0.002","30.082","0.01","90","","90","","90","","2326.9","0.9","298","","","","","","","","","","synthesis","5","P 21 n b","P -2bc 2a","33","","","","- C14 H36 Cl4 N2 Zn -","- C14 H36 Cl4 N2 Zn -","- C56 H144 Cl16 N8 Zn4 -","4","1","MU1079","Guo, N.; Lin, Y.-H.; Xi, S.-Q.","Bis(<i>n</i>-heptylammonium) Tetrachlorozincate","Acta Crystallographica Section C","1995","51","4","617","619","10.1107/S0108270194009248","","","0.71073","MoKα","","","0.053","","","0.045","","","","","1.181","1.181","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2016071","10.5672","0.0003","14.5838","0.0003","7.3453","0.0003","90","","90","","90","","1131.98","0.06","293","","293","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","triterbium rubidium heptaoxide","","- O7 Ru Tb3 -","- O7 Ru Tb3 -","- O56 Ru8 Tb24 -","8","2","SQ3070","Nobuo Ishizawa; Tsuyoshi Suwa; Kenji Tateishi; James R. Hester","Synchrotron X-ray study of noncentrosymmetric Tb~3~RuO~7~ with partial structural disorder","Acta Crystallographica Section C","2007","63","7","i43","i46","10.1107/S0108270107021993","","","0.6886","synchrotron","","0.022","0.018","","0.035","","0.027","","","1.166","","","0.975","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2020378","6.107","","22.952","","10.54","","90","","90","","90","","1477.37","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Ba2 (Ti O4)","","- Ba2 O4 Ti -","- Ba2 O4 Ti -","- Ba24 O48 Ti12 -","12","3","","Guenter, J.R.; Jameson, G.B.","Orthorhombic barium orthotitanate, alpha'-Ba2 Ti O4","Acta Crystallographica C (39,1983-)","1984","40","","207","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2100832","10.349","0.002","13.228","0.003","6.864","0.002","90","","90","","90","","939.7","0.4","","","","","","","","","","","","5","P 21 n b","","","","","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N7 O4 -","- Cl8 Co4 H60 N28 O16 -","4","1","AS0597","Kubota, M.; Ohba, S.","Nitro-nitrito linkage photoisomerization in crystals of pentaamminenitrocobalt(III) dichloride","Acta Crystallographica Section B","1992","48","5","627","632","10.1107/S010876819200404X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100833","10.376","0.001","13.355","0.003","6.8307","0.0007","90","","90","","90","","946.5","0.3","","","","","","","","","","","","5","P 21 n b","","","","","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N7 O4 -","- Cl8 Co4 H60 N28 O16 -","4","1","AS0597","Kubota, M.; Ohba, S.","Nitro-nitrito linkage photoisomerization in crystals of pentaamminenitrocobalt(III) dichloride","Acta Crystallographica Section B","1992","48","5","627","632","10.1107/S010876819200404X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100934","22.454","0.006","15.129","0.002","5.189","0.002","90","","90","","90","","1762.7","0.9","","","","","","","","","","","","5","P 21 n b","","","","","","- C10 H12 Cr2 N6 O11 -","- C10 H12 Cr2 N6 O11 -","- C40 H48 Cr8 N24 O44 -","4","1","PA0281","Pecaut, J.; Masse, R.","Structure of bis(2-amino-5-nitropyridinium) dichromate as a step towards the design of efficient organic‒inorganic non-linear optical crystals","Acta Crystallographica Section B","1993","49","2","277","282","10.1107/S0108768192008553","","","0.55941","Ag","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2203074","9.1755","0.0009","9.4488","0.0007","19.7807","0.0018","90","","90","","90","","1714.9","0.3","293","2","293","2","","","","","","","","4","P 21 n b","P -2bc 2a","33","","1-Methyl-1-phenyl-3-(phthalimidoacetyl)cyclobutane","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","LH6137","Özdemir, Namık; Dinçer, Muharrem; Yılmaz, İbrahim; Çukurovalı, Alaaddin","1-Methyl-1-phenyl-3-(phthalimidoacetyl)cyclobutane","Acta Crystallographica Section E","2004","60","1","o14","o16","10.1107/S1600536803026497","","","0.71073","MoKα","","0.0448","0.0325","","","0.0647","0.0672","","","","","","1.008","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207919","10.644","0.005","14.685","0.006","7.384","0.003","90","","90","","90","","1154.2","0.9","293","","293","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Trigadolinium ruthenium heptaoxide","","- Gd3 O7 Ru -","- Gd3 O7 Ru -","- Gd24 O56 Ru8 -","8","2","WM6116","Nobuo Ishizawa; Keishi Hiraga; Douglas du Boulay; Hisashi Hibino; Takashi Ida; Shuji Oishi","A non-centrosymmetric polymorph of Gd~3~RuO~7~","Acta Crystallographica Section E","2006","62","1","i13","i16","10.1107/S1600536805040973","","","0.71073","MoKα","","0.082","0.047","","0.038","","0.035","","","2.384","","","2.706","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2214339","10.516","0.002","14.56","0.003","7.333","0.002","90","","90","","90","","1122.8","0.4","295","","293","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","tridysprosium ruthenium heptaoxide","","- Dy3 O7 Ru -","- Dy3 O7 Ru -","- Dy24 O56 Ru8 -","8","2","LX2012","Nobuo Ishizawa; Tsuyoshi Suwa; Kenji Tateishi","Dy~3~RuO~7~ with partial structural disorder","Acta Crystallographica Section E","2007","63","7","i163","i163","10.1107/S1600536807029686","","","0.71073","MoKα","","0.067","0.025","","0.029","","0.022","","","1.426","","","1.562","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2225165","5.8193","0.0002","8.0689","0.0003","18.178","0.0005","90","","90","","90","","853.55","0.05","120","2","120","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","2-Chloroquinoline-3-carboxylic acid","","- C10 H6 Cl N O2 -","- C10 H6 Cl N O2 -","- C40 H24 Cl4 N4 O8 -","4","1","BQ2197","Ladraa, Souheila; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","2-Chloroquinoline-3-carboxylic acid","Acta Crystallographica Section E","2010","66","3","o693","","10.1107/S1600536810006501","","","0.71073","MoKα","","","0.0376","","","","0.0944","","","","","","1.144","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2238526","6.569","0.0007","10.1342","0.001","16.9357","0.0019","90","","90","","90","","1127.4","0.2","150","2","150","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-benzimidazol-3-ium iodide","","- C10 H13 I N2 O -","- C10 H13 I N2 O -","- C40 H52 I4 N8 O4 -","4","1","LH5638","Said, Mohamed El Hadi; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali; Chibani, Aissa; Bouraiou, Abdelmalek","2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-benzimidazol-3-ium iodide","Acta Crystallographica Section E","2013","69","9","o1429","o1430","10.1107/S1600536813022307","","","0.71073","MoKα","","0.0384","0.0267","","","0.0618","0.068","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"4066263","7.8046","0.0003","16.4655","0.0005","18.1317","0.0006","90","","90","0.001","90","","2330.04","0.14","84","2","84","2","","","","","","","","7","P 21 n b","P -2bc 2a","33","compound 5a","","","- C25 H22 I O Os P S -","- C25 H22 I O Os P S -","- C100 H88 I4 O4 Os4 P4 S4 -","4","1","","Johns, Paul M.; Roper, Warren R.; Woodgate, Scott D.; Wright, L. James","Thermal Rearrangement of Osmabenzenes to Osmium Cyclopentadienyl Complexes†","Organometallics","2010","29","21","5358","","10.1021/om1003754","","","0.71073","MoKα","","0.0386","0.0339","","","0.0835","0.0863","","","","","","1.015","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4085489","11.4752","0.0001","20.0367","0.0002","20.6247","0.0002","90","","90","","90","","4742.14","0.08","150","2","150","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C48 H69 Mg N5 O -","- C48 H69 Mg N5 O -","- C192 H276 Mg4 N20 O4 -","4","1","","Hill, Michael S.; MacDougall, Dugald J.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Weetman, Catherine","Kinetically Directed Reactivity of Magnesium Dihydropyridides with Organoisocyanates","Organometallics","2015","34","11","2590","","10.1021/om5012374","","","0.71073","MoKα","","0.066","0.0435","","","0.0907","0.1003","","","","","","1.05","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4106958","10.436","0.0003","11.2927","0.0003","23.4638","0.0007","90","","90","","90","","2765.22","0.14","173","2","173","2","","","","","","","synthesis as described","7","P 21 n b","P -2bc 2a","33","","","","- C14 H37 B18 Co N P Se -","- C14 H37 B18 Co N P Se -","- C56 H148 B72 Co4 N4 P4 Se4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0713","0.053","","","0.0993","0.1043","","","","","","1.121","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4115333","10.7548","0.001","20.7363","0.0015","11.587","0.002","90","0.006","90","0.006","90","0.006","2584.1","0.5","20","2","20","2","","","","","","","Chem. Ber. 1994, 127, 1379","7","P 21 n b","P -2bc 2a","33","NiN33.6D2O","bis(hydrotris(1,2,4-triazolyl)borato)nickel(II)- hexakis(deuterium oxide)","","- C12 H14 B2 D12 N18 Ni O6 -","- C12 H14 B2 D12 N18 Ni O6 -","- C48 H56 B8 D48 N72 Ni4 O24 -","4","1","","Christoph Janiak; Tobias G. Scharmann; Sax A. Mason","Two-Dimensional Water and Ice Layers: Neutron Diffraction Studies at 278, 263, and 20 K","Journal of the American Chemical Society","2002","124","","14010","14011","10.1021/ja0274608","","neutron","1.3143","neutrons","","0.0289","0.0285","","0.0669","0.0667","","","","1.155","","","","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4130818","9.4658","0.0004","11.3757","0.0004","19.3517","0.0007","90","","90","","90","","2083.79","0.14","100.15","","100.15","","","","","","","","","6","P 21 n b","P -2bc 2a","33","","C22H23ClNO2S2","","- C22 H23 Cl N O2 S2 -","- C22 H23 Cl N O2 S2 -","- C88 H92 Cl4 N4 O8 S8 -","4","1","","Kennemur, Jennifer L.; Kortman, Gregory D.; Hull, Kami L.","Rhodium-Catalyzed Regiodivergent Hydrothiolation of Allyl Amines and Imines.","Journal of the American Chemical Society","2016","138","36","11914","11919","10.1021/jacs.6b07142","","x-ray","0.71073","MoKα","","0.0588","0.0463","","","0.1159","0.121","","","","","","1.017","","","","has coordinates","241178","2020-10-21","18:00:00",""
"4304260","10.6399","0.0002","14.6769","0.0002","7.3747","0.0001","90","","90","","90","","1151.64","0.03","293","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","","","- Gd3 O7 Ru -","- Gd3 O7 Ru -","- Gd24 O56 Ru8 -","8","2","","Nobuo Ishizawa; Kenji Tateishi; Saki Kondo; Tsuyoshi Suwa","Structural Phase Transition of Gd3RuO7","Inorganic Chemistry","2008","47","","558","566","10.1021/ic701732d","","","0.71073","MoKα","","","0.035","","","","0.029","","","","","","1.845","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309644","10.7412","0.0003","14.6661","0.0004","7.4154","0.0002","90","","90","","90","","1168.16","0.06","150","2","150","2","","","","","","","","3","P 21 n b","P -2bc 2a","33","","","","- O7 Ru Sm3 -","- O7 Ru Sm3 -","- O56 Ru8 Sm24 -","8","2","","William R. Gemmill; Mark D. Smith; Yurij A. Mozharivsky; Gordon J. Miller; Hans-Conrad zur Loye","Crystal Growth, Structural Transitions, and Magnetic Properties of the Fluorite-Related Osmates: Sm3OsO7, Eu3OsO7, and Gd3OsO7","Inorganic Chemistry","2005","44","","7047","7055","10.1021/ic0506106","","","0.71073","MoKα","","0.0309","0.0279","","","0.0561","0.0579","","","","","","1.115","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309646","10.6783","0.0003","14.6397","0.0004","7.3823","0.0002","90","","90","","90","","1154.05","0.05","150","2","150","2","","","","","","","","3","P 21 n b","P -2bc 2a","33","","","","- Eu3 O7 Ru -","- Eu3 O7 Ru -","- Eu24 O56 Ru8 -","8","2","","William R. Gemmill; Mark D. Smith; Yurij A. Mozharivsky; Gordon J. Miller; Hans-Conrad zur Loye","Crystal Growth, Structural Transitions, and Magnetic Properties of the Fluorite-Related Osmates: Sm3OsO7, Eu3OsO7, and Gd3OsO7","Inorganic Chemistry","2005","44","","7047","7055","10.1021/ic0506106","","","0.71073","MoKα","","0.0393","0.0355","","","0.0817","0.0841","","","","","","1.079","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4311253","10.7412","0.0003","14.6661","0.0004","7.4154","0.0002","90","","90","","90","","1168.16","0.06","150","2","150","2","","","","","","","","3","P 21 n b","P -2bc 2a","33","","","","- O7 Ru Sm3 -","- O7 Ru Sm3 -","- O56 Ru8 Sm24 -","8","2","","William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye","Crystal Growth, Observation, and Characterization of the Low-Temperature Structure of the Fluorite-Related Ruthenates: Sm3RuO7 and Eu3RuO7","Inorganic Chemistry","2004","43","","4254","4261","10.1021/ic049700l","","","0.71073","MoKα","","0.0309","0.0279","","","0.0561","0.0579","","","","","","1.115","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311255","10.6783","0.0003","14.6397","0.0004","7.3823","0.0002","90","","90","","90","","1154.05","0.05","150","2","150","2","","","","","","","","3","P 21 n b","P -2bc 2a","33","","","","- Eu3 O7 Ru -","- Eu3 O7 Ru -","- Eu24 O56 Ru8 -","8","2","","William R. Gemmill; Mark D. Smith; Hans-Conrad zur Loye","Crystal Growth, Observation, and Characterization of the Low-Temperature Structure of the Fluorite-Related Ruthenates: Sm3RuO7 and Eu3RuO7","Inorganic Chemistry","2004","43","","4254","4261","10.1021/ic049700l","","","0.71073","MoKα","","0.0393","0.0355","","","0.0817","0.0841","","","","","","1.079","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4315722","5.5208","0.0003","11.2278","0.0006","19.4945","0.0014","90","","90","","90","","1208.39","0.13","293","2","293","2","","","","","","","","3","P 21 n b","P -2bc 2a","33","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Damijana Urankar; Balazs Pinter; Andrej Pevec; Frank De Proft; Iztok Turel; Janez Košmrlj","Click-Triazole N2 Coordination to Transition-Metal Ions Is Assisted by a Pendant Pyridine Substituent","Inorganic Chemistry","2010","49","","4820","4829","10.1021/ic902354e","","","0.71073","MoKα","","0.0759","0.0492","","","0.1015","0.1169","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320583","11.483","0.005","14.166","0.005","18.279","0.005","90","0.005","90","0.005","90","0.005","2973.4","1.9","200","","200","","","","","","","","","6","P 21 n b","P -2bc 2a","33","","","","- C20 H40 Cl2 N6 O10 Zn2 -","- C20 H40 Cl2 N6 O10 Zn2 -","- C80 H160 Cl8 N24 O40 Zn8 -","4","1","","Paolo Dapporto; Mauro Formica; Vieri Fusi; Luca Giorgi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Addition of Small Molecules by Zn(II) and Cu(II) Dinuclear Complexes Obtained by an Amino-Phenolic Ligand. Crystal Structures of the Dinuclear Zinc Complex Assembling Butanolate and Azide Anions","Inorganic Chemistry","2001","40","","6186","6192","10.1021/ic0105415","","","1.5418","CuKα","","0.0701","0.0617","","","0.1528","0.1611","","","","","","0.978","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4335581","22.3007","0.0004","10.0163","0.0004","8.60981","0.00029","90","","90","","90","","1923.18","0.11","293","","293","","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C12 Co N2 O13 P4 -","- C12 Co N2 O13 P4 -","- C48 Co4 N8 O52 P16 -","4","1","","Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza","Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids","Inorganic Chemistry","2013","52","","8770","8783","10.1021/ic400951s","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.09821","","2.19","","","","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4343662","10.349","","13.228","","6.864","","90","","90","","90","","939.658","","","","","","","","","","","","","5","P 21 n b","P -2bc 2a","33","","Co (N H3)5 O N O Cl2","","- Cl2 Co H15 N6 O2 -","- Cl2 Co H15 N6 O2 -","- Cl8 Co4 H60 N24 O8 -","4","1","","Grenthe, I.; Nordin, E.","Nitrito-nitro-linkage isomerization in the solid state. 2. A comparative study of the structures of nitrito- and nitropentaamminecobalt(III) dichloride","Inorganic Chemistry","1979","18","","1869","1874","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343858","10.7627","","14.7725","","7.4334","","90","","90","","90","","1181.85","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Sm3 Os O7","","- O7 Os Sm3 -","- O7 Os Sm3 -","- O56 Os8 Sm24 -","8","2","","Gemmill, W.R.; Smith, M.D.; Miller, G.J.; Mozharivsky, Yu.A.; zur Loye, H.C.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343859","10.703","","14.7385","","7.4143","","90","","90","","90","","1169.58","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Eu3 Os O7","","- Eu3 O7 Os -","- Eu3 O7 Os -","- Eu24 O56 Os8 -","8","2","","Gemmill, W.R.; Smith, M.D.; Mozharivsky, Yu.A.; Miller, G.J.; zur Loye, H.C.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343860","10.6459","","14.745","","7.3879","","90","","90","","90","","1159.71","","","","","","","","","","","","","3","P 21 n b","P -2bc 2a","33","","Gd3 Os O7","","- Gd3 O7 Os -","- Gd3 O7 Os -","- Gd24 O56 Os8 -","8","2","","Gemmill, W.R.; Smith, M.D.; Mozharivsky, Yu.A.; Miller, G.J.; zur Loye, H.C.","Crystal growth, structural transitions, and magnetic properties of the fluorite-related osmates Sm3 Os O7, Eu3 Os O7 and Gd3 Os O7","Inorganic Chemistry","2005","44","","7047","7055","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4500529","12.04226","0.00017","23.22101","0.00029","5.81899","0.00015","90","","90","","90","","1627.18","0.05","293","","293","","","","","","","","","4","P 21 n b","P -2bc 2a","33","","","","- C2 Ca O9 P -","- C2 Ca O9 P -","- C16 Ca8 O72 P8 -","8","2","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","powder diffraction","x-ray","1.5406","","","","","","","","","0.0924","","3.16","","","","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4501844","8.6762","0.0005","9.0956","0.0005","28.025","0.003","90","","90","","90","","2211.6","0.3","296","2","296","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","trans-bis(6-hydroxypicolinato-N,O)bis(pyridine)nickel(II)","trans-bis(6-hydroxypyridine-2-carboxylato-N,O)bis(pyridine) nickel(II)- orthorhombic polymorph","","- C22 H18 N4 Ni O6 -","- C22 H18 N4 Ni O6 -","- C88 H72 N16 Ni4 O24 -","4","1","","Kukovec, Boris-Marko; Vaz, Pedro D.; Calhorda, Maria José; Popović, Zora","Disappearing and Concomitant Polymorphism of Nickel(II) Complexes with 6-Hydroxypicolinic Acid. Structural and Density Functional Theory Studies","Crystal Growth & Design","2010","10","8","3685","","10.1021/cg100536m","","","1.54184","CuKα","","0.2327","0.0746","","","0.1337","0.1716","","","","","","1.108","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4505848","9.5719","0.0013","13.8582","0.0014","8.849","0.002","90","","90","","90","","1173.8","0.3","293","2","293","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","mer-cis-[N-(2-aminoethyl)-1,3-propanediamine]cyanodinitrocobalt(III)","","- C6 H15 Co N6 O4 -","- C6 H15 Co N6 O4 -","- C24 H60 Co4 N24 O16 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0729","0.0407","","0.1233","","0.1132","","","1.051","","","1.223","","","","has coordinates","179594","2020-10-21","18:00:00",""
"7010265","12.7737","0.0001","16.553","0.0001","20.1344","0.0002","90","","90","","90","","4257.28","0.06","150","2","150","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","00skl020","3-(2,6-di-isopropylphenyl)-1-(2-picolyl)-imidazol-2-ylidene silver bromide","","- C42 H50 Ag2 Br2 N6 -","- C42 H50 Ag2 Br2 N6 -","- C168 H200 Ag8 Br8 N24 -","4","1","","Tulloch, Arran A. D.; Danopoulos, Andreas A.; Winston, Scott; Kleinhenz, Sven; Eastham, Graham","N-Functionalised heterocyclic carbene complexes of silver","Journal of the Chemical Society, Dalton Transactions","2000","","24","4499","","10.1039/b007504n","","","0.71073","MoKα","","0.0504","0.0386","","","0.0897","0.0998","","","","","","1.057","","","","has coordinates","179806","2020-10-21","18:00:00",""
"7013194","13.453","0.006","17.69","0.02","18.692","0.008","90","","90","","90","","4448","6","293","2","293","2","","","","","","","","6","P 21 n b","P -2bc 2a","33","","","","- C32 H44 Cl2 Fe2 N6 O15 -","- C32 H40 Cl2 Fe2 N6 O15 -","- C128 H160 Cl8 Fe8 N24 O60 -","4","1","","Mukherjee, Jhumpa; Balamurugan, V.; Gupta, Rajeev; Mukherjee, Rabindranath","Synthesis and properties of FeIII and CoIII complexes: structures of [(L2)Fe(N3)3], [(L2)2Fe2(�-O)(�-O2CMe)2][ClO4]2�2H2O and [(L2)2Co2(�-OH)2(�-O2CMe)][ClO4]3�MeCN [L2 = methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine]Electronic supplementary information (ESI) available: Fig. S1?S3 discussed in the text. See http://www.rsc.org/suppdata/dt/b3/b305470e/","Dalton Transactions","2003","","19","3686","","10.1039/b305470e","","","0.71073","MoKα","","0.2369","0.101","","","0.2328","0.3235","","","","","","1.004","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7029565","9.1556","0.0002","11.4783","0.0003","30.9541","0.001","90","","90","","90","","3252.99","0.15","293","2","293","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C30 H48 O2 S2 Sn -","- C30 H48 O2 S2 Sn -","- C120 H192 O8 S8 Sn4 -","4","1","","Shpakovsky, D. B.; Banti, C. N.; Mukhatova, E. M.; Gracheva, Yu A.; Osipova, V. P.; Berberova, N. T.; Albov, D. V.; Antonenko, T. A.; Aslanov, L. A.; Milaeva, E. R.; Hadjikakou, S. K.","Synthesis, antiradical activity and in vitro cytotoxicity of novel organotin complexes based on 2,6-di-tert-butyl-4-mercaptophenol.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6880","6890","10.1039/c3dt53469c","","","0.71073","MoKα","","0.0812","0.0342","","","0.0682","0.083","","","","","","0.556","","","","has coordinates","192773","2020-10-21","18:00:00",""
"7039208","8.687","0.001","12.6406","0.0015","26.391","0.003","90","","90","","90","","2898","0.6","293","2","293","2","","","","","","","","7","P 21 n b","P -2bc 2a","33","","","","- C26 H31 Cl F6 N5 P Ru -","- C26 H31 Cl F6 N5 P Ru -","- C104 H124 Cl4 F24 N20 P4 Ru4 -","4","1","","Monticelli, Marco; Tubaro, Cristina; Baron, Marco; Basato, Marino; Sgarbossa, Paolo; Graiff, Claudia; Accorsi, Gianluca; Pell, Thomas P.; Wilson, David J. D.; Barnard, Peter J.","Metal complexes with di(N-heterocyclic carbene) ligands bearing a rigid ortho-, meta or para-phenylene bridge.","Dalton transactions (Cambridge, England : 2003)","2016","45","23","9540","9552","10.1039/c6dt01129b","","","0.71073","MoKα","","0.0548","0.0414","","","0.1036","0.1151","","","","","","1.034","","","","has coordinates","185523","2020-10-21","18:00:00",""
"7039497","7.4201","0.0005","8.7404","0.0005","28.185","0.003","90","","90","","90","","1827.9","0.3","298","2","298","2","","","","","","","","6","P 21 n b","P -2bc 2a","33","","","","- C16 H11 Cl Hg I2 N2 -","- C16 H11 Cl Hg I2 N2 -","- C64 H44 Cl4 Hg4 I8 N8 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.0827","0.0631","","","0.1637","0.1722","","","","","","1.011","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7039499","7.4259","0.0006","8.814","0.001","28.085","0.003","90","","90","","90","","1838.2","0.3","298","2","298","2","","","","","","","","6","P 21 n b","P -2bc 2a","33","","","","- C16 H11 Br Hg I2 N2 -","- C16 H11 Br Hg I2 N2 -","- C64 H44 Br4 Hg4 I8 N8 -","4","1","","Khavasi, Hamid Reza; Kavand, Sima","Conformational variety of flexible mono-dentate ligands in coordination compounds: influence of π-involving interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10761","10770","10.1039/c6dt01563h","","","0.71073","MoKα","","0.0912","0.0863","","","0.1086","0.1313","","","","","","1.011","","","","has coordinates","185355","2020-10-21","18:00:00",""
"7051142","10.2631","0.0008","10.4883","0.0005","15.9213","0.0012","90","","90","","90","","1713.8","0.2","173","0.1","173","0.1","","","","","","","","2","P 21 n b","P -2bc 2a","33","","","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0494","0.0371","","","0.0657","0.0688","","","","","","1.085","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7102539","8.106","0.003","13.166","0.003","25.16","0.004","90","","90","","90","","2685.2","1.2","293","2","293","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C26 H26 Cu2 N2 O8 -","- C26 H26 Cu2 N2 O8 -","- C104 H104 Cu8 N8 O32 -","4","1","","Mukherjee, Arindam; Saha, Manas K; Nethaji, Munirathinam; Chakravarty, Akhil R","Helical supramolecular host with aquapores anchoring alternate molecules of helical water chains.","Chemical communications (Cambridge, England)","2004","","6","716","717","10.1039/b316275c","","","0.71073","MoKα","","0.0931","0.0546","","","0.1399","0.1669","","","","","","0.978","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7152376","3.7524","0.0007","12.666","0.003","21.009","0.004","90","","90","","90","","998.5","0.4","120","2","120","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C11 H5 Cl2 N O2 -","- C11 H5 Cl2 N O2 -","- C44 H20 Cl8 N4 O8 -","4","1","","Duncanson, Philip; Cheong, Yuen-Ki; Motevalli, Majid; Griffiths, D. Vaughan","A novel approach to isoindolo[2,1-a]indol-6-ones.","Organic & biomolecular chemistry","2012","10","21","4266","4279","10.1039/c2ob25314c","","","0.71073","MoKα","","0.0983","0.0842","","","0.2141","0.226","","","","","","1.078","","","","has coordinates","180309","2020-10-21","18:00:00",""
"9000739","7.675","","9.711","","7.635","","90","","90","","90","","569.051","","","","","","","","","","","","","4","P 21 n b","P -2bc 2a","33","","","Senegalite","- Al2 H5 O8 P -","- Al2 H2 O8 P -","- Al8 H8 O32 P4 -","4","1","","Keegan, T. D.; Araki, T.; Moore, P. B.","Senegalite, Al2(OH)3(H2O)(PO4), a novel structure type","American Mineralogist","1979","64","","1243","1247","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9004175","11.836","","12.94","","6.735","","90","","90","","90","","1031.52","","","","","","","","","","","","","6","P 21 n b","P -2bc 2a","33","","","Georgechaoite","- H4 K Na O11 Si3 Zr -","- H4 K Na O11 Si3 Zr -","- H16 K4 Na4 O44 Si12 Zr4 -","4","1","","Ghose, S.; Thakur, P.","The crystal structure of georgechaoite NaKZrSi3O9.2H2O","The Canadian Mineralogist","1985","23","","5","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004176","11.74","","12.82","","6.691","","90","","90","","90","","1007.04","","","","","","","","","","","","Mont St. Hilaire, Quebec, Canada","5","P 21 n b","P -2bc 2a","33","","","Gaidonnayite","- H4 Na2 O11 Si3 Zr -","- H4 Na2 O11 Si3 Zr -","- H16 Na8 O44 Si12 Zr4 -","4","1","","Chao, G. Y.","The crystal structure of gaidonnayite Na2ZrSi3O9.2H2O","The Canadian Mineralogist","1985","23","","11","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9011059","5.13","","10.82","","12.4","","90","","90","","90","","688.282","","","","","","","","","","","","","2","P 21 n b","P -2bc 2a","33","","","","- O3 S -","- O3 S -","- O36 S12 -","12","3","","Pascard, R.; Pascard-Billy C","Structure precise de l'anhydride sulfurique","Acta Crystallographica","1965","18","","830","834","10.1107/S0365110X65002049","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011063","5.191","","10.82","","12.384","","90","","90","","90","","695.567","","","","","","","","","","","","","2","P 21 n b","P -2bc 2a","33","","","","- O3 S -","- O3 S -","- O36 S12 -","12","3","","McDonald, W. S.; Cruickshank, D. W. J.","A refinement of the structure of S3O9","Acta Crystallographica","1967","22","","48","51","10.1107/S0365110X6700009X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011949","9.66","","14.2","","7.86","","90","","90","","90","","1078.17","","","","","","","","","","","","Synthetic","5","P 21 n b","P -2bc 2a","33","","","Poughite","- Fe2 H6 O13 S Te2 -","- Fe2 H6 O13 S Te2 -","- Fe8 H24 O52 S4 Te8 -","4","1","","Pertlik, F.","Die kristallstruktur von poughit, Fe2[TeO3]2[SO4]*3H2O","Tschermaks Mineralogische und Petrographische Mitteilungen","1971","15","","279","290","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9014725","9.6967","","14.2676","","7.8748","","90","","90","","90","","1089.47","","","","","","","","","","","","Tambo mine, Coquimbo Regioin, Chile","5","P 21 n b","P -2bc 2a","33","","","Poughite","- Fe2 H6 O13 S Te2 -","- Fe2 H6 O13 S Te2 -","- Fe8 H24 O52 S4 Te8 -","4","1","","Kampf, A. R.; Mills, S. J.","The role of hydrogen in tellurites: crystal structure refinements of juabite, poughite and rodalquilarite","Journal of Geosciences","2011","56","","235","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""