# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T05:56:54+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'R 3 c :R' 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
"1011213","6.88","","6.88","","6.88","","103.42","","103.42","","103.42","","293.7","","","","","","","","","","","","from Jachymov, Bohemia","3","R 3 c :R","P 3* -2n","161","","Silver trithioarsenate(III)","Proustite","- Ag3 As S3 -","- Ag3 As S3 -","- Ag6 As2 S6 -","2","0.333333","","Hocart, R","Schema structural de la proustite et de la pyrargyrite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1937","205","","68","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011214","7","","7","","7","","103.97","","103.97","","103.97","","306.2","","","","","","","","","","","","from Freiberg, Saxony","3","R 3 c :R","P 3* -2n","161","","Silver trithioantimonate(III)","Pyrargyrite","- Ag3 S3 Sb -","- Ag3 S3 Sb -","- Ag6 S6 Sb2 -","2","0.333333","","Hocart, R","Schema structural de la proustite et de la pyrargyrite.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1937","205","","68","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520824","7.764","","7.764","","7.764","","97.21","","97.21","","97.21","","455.871","","","","","","","","","","","","","5","R 3 c :R","P 3* -2n","161","","(N H3 O H)3 (In F6)","","- F6 H12 In N3 O3 -","- F6 H12 In N3 O3 -","- F12 H24 In2 N6 O6 -","2","0.333333","","Ban, I.; Kristl, M.; Volavsek, B.; Golic, L.","Kristallstruktur und thermische Analyse von Hydroxylammoniumhexafluorotitanat(IV) - dihydrat und Hydroxyalammoniumhexafluoroindat(III)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1999","130","","401","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530787","9.106","","9.106","","9.106","","60.6","","60.6","","60.6","","541.145","","","","","","","","","","","","","4","R 3 c :R","P 3* -2n","161","","Na4 Zr2 (Si O4)3","","- Na4 O12 Si3 Zr2 -","- Na4 O12 Si3 Zr2 -","- Na8 O24 Si6 Zr4 -","2","0.333333","","Sizova, R.G.; Blinov, V.A.; Belov, N.V.; Voronkov, A.A.; Ilyukhin, V.V.","The refined structure of Na4 Zr2 (Si O4)3 and its place in the series of mixed frameworks with the general formula M2 (T O4)3","Kristallografiya","1981","26","","293","300","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1560398","8.173","0.0006","8.173","0.0006","8.173","0.0006","89.614","0.003","89.614","0.003","89.614","0.003","545.9","0.07","9","","","","","","","","","","","4","R 3 c :R","P 3* -2n","161","","","","- O3 Pb Ti0.4 Zr0.6 -","- O3 Pb Ti0.4 Zr0.6 -","- O24 Pb8 Ti3.2 Zr4.8 -","8","1.33333","","Amin, A.; Newnham, R. E.; Cross, L. E.; Cox, D. E.","Phenomenological and structural study of a low-temperature phase transition in the Pb Zr O3 - Pb Ti O3 system","Journal of Solid State Chemistry","1981","37","","248","255","10.1016/0022-4596(81)90091-8","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","287953","2023-12-03","18:10:14",""
"1566106","17.2991","0.0009","17.2991","0.0009","17.2991","0.0009","117.373","0.002","117.373","0.002","117.373","0.002","2143.3","0.5","100","2","100","2","","","","","","","","5","R 3 c :R","P 3* -2n","161","","","","- C8 H12 I3 N Sn -","- C8 H12 I3 N Sn -","- C48 H72 I18 N6 Sn6 -","6","1","","Kamminga, Machteld E.; Gélvez-Rueda, María C.; Maheshwari, Sudeep; van Droffelaar, Irene S.; Baas, Jacob; Blake, Graeme R.; Grozema, Ferdinand C.; Palstra, Thomas T.M.","Electronic mobility and crystal structures of 2,5-dimethylanilinium triiodide and tin-based organic-inorganic hybrid compounds","Journal of Solid State Chemistry","2019","270","","593","600","10.1016/j.jssc.2018.12.029","","","0.71073","MoKα","","0.0683","0.0494","","","0.1128","0.1347","","","","","","1.2","","","","has coordinates","272208","2022-01-24","08:27:49",""
"2000652","8.3806","0.0004","8.3806","0.0004","8.3806","0.0004","65.527","0.003","65.527","0.003","65.527","0.003","535.72","0.05","","","","","","","","","","","","4","R 3 c :R","P 3* -2n","161","","","","- Al2 H6 O12 Se3 -","- Al2 O12 Se3 -","- Al4 O24 Se6 -","2","0.333333","CR0386","Harrison, W. T. A.; Stucky, G. D.; Morris, R. E.; Cheetham, A. K.","Synthesis and structure of aluminium selenite trihydrate, Al~2~(SeO~3~)~3~.3H~2~O","Acta Crystallographica Section C","1992","48","8","1365","1367","10.1107/S0108270192000015","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2003271","17.158","0.002","17.158","0.002","17.158","0.002","116.66","0.02","116.66","0.02","116.66","0.02","2344","4","293","2","293","2","","","","","","","","4","R 3 c :R","P 3* -2n","161","","","","- C15 H25 N3 O -","- C15 H25 N3 O -","- C90 H150 N18 O6 -","6","1","KA1083","Anulewicz, R.; Fiertek, D.; Izdebski, J.","1-Cyclohexyl-2-cyclohexylamino-5(4<i>H</i>)-imidazolone","Acta Crystallographica Section C","1995","51","3","541","543","10.1107/S0108270194006529","","","1.54056","CuKα","","0.0943","0.0493","","0.1482","0.1148","","","","1.08","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003675","9.841","0.002","9.841","","9.841","","81.33","0.02","81.33","","81.33","","923.37","0.19","295","","295","","","","","","","","Umsetzung von Urotropiniumiodid UrHI mit iodges\""attigter Acetonitrill\""osung","4","R 3 c :R","P 3* -2n","161","Urotropin-3-Diiod","1,3,5,7-Tetraazatricyclo[3.3.1.1^3,7^]decan-3-Diiod","","- C6 H12 I6 N4 -","- C6 H12 I6 N4 -","- C12 H24 I12 N8 -","2","0.333333","JZ1025","Tebbe, K.-F.; Nagel, K.","Urotropin-3-Diiod, Ur.3I~2~","Acta Crystallographica Section C","1995","51","7","1388","1390","10.1107/S0108270194015003","","","0.71069","MoKα","","0.0295","0.0262","","0.0705","0.069","","","","1.059","1.083","1.083","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2310555","7.43","","7.43","","7.43","","87","","87","","87","","408.543","","","","","","","","","","","","","2","R 3 c :R","P 3* -2n","161","","P4 O10","","- O10 P4 -","- O10 P4 -","- O20 P8 -","2","0.333333","","Cruickshank, D.W.J.","Refinements of structures containing bonds between Si, P, S or Cl and O or N","Acta Crystallographica (1,1948-23,1967)","1964","17","","677","679","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030516","8.54","0.004","8.54","0.004","8.54","0.004","65.7","0.01","65.7","0.01","65.7","0.01","494.9","0.4","","","298","","","","","","","","","4","R 3 c :R","P 3* -2n","161","","","","- Cr2 H6 O12 Se3 -","- Cr2 O12 Se3 -","- Cr4 O24 Se6 -","2","0.333333","","Harrison, W. T. A.; Stucky, G. D.; Cheetham, A. K.","The syntheses and crystal structures of the two trivalent metal selenites: InHSe2O6 and Cr2(SeO3)3.3H2O","European Journal of Solid State and Inorganic Chemistry","1993","30","","347","356","","","x-ray","0.71073","MoKα","","","0.0424","","","0.0486","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104533","14.4533","0.0009","14.4533","0.0009","14.4533","0.0009","112.201","0.001","112.201","0.001","112.201","0.001","2056.1","0.2","163","2","163","2","","","","","","","","5","R 3 c :R","P 3* -2n","161","","","","- C9 H6 Fe2 O7 S2 -","- C9 H6 Fe2 O7 S2 -","- C54 H36 Fe12 O42 S12 -","6","1","","Tianbiao Liu; Bin Li; Michael L. Singleton; Michael B. Hall; Marcetta Y. Darensbourg","Sulfur Oxygenates of Biomimetics of the Diiron Subsite of the [FeFe]-Hydrogenase Active Site: Properties and Oxygen Damage Repair Possibilities","Journal of the American Chemical Society","2009","131","","8296","8307","10.1021/ja9016528","","","0.71073","MoKα","","0.0452","0.0434","","","0.1076","0.1097","","","","","","1.078","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4334463","16.0514","0.0019","16.0514","0.0019","16.0514","0.0019","97.046","0.017","97.046","0.017","97.046","0.017","4033.4","0.9","100","2","100","2","","","","","","","","8","R 3 c :R","P 3* -2n","161","","(chlorido)-{κ^2^ C,N-3-isopropyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-{κ^3^ N,N',N''-tris(pirazolyl)borate}-ruthenium(II) 0.35 silver bromide","","- C21 H25 Ag0.35 B Br0.35 Cl N9 Ru -","- C21 H25 Ag0.349 B Br0.349 Cl N9 Ru -","- C126 H150 Ag2.094 B6 Br2.094 Cl6 N54 Ru6 -","6","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0454","0.0431","","","0.1233","0.1303","","","","","","1.124","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4350788","15.1087","0.0005","15.1087","0.0005","15.1087","0.0005","94.35","","94.35","","94.35","","3417.5","0.2","","","296","","","","","","","","","5","R 3 c :R","P 3* -2n","161","","(μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-4-(benzyloxy)phenylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum acetone solvate","","- C72 H86 B3 O14 Ta3 -","- C76 H96 B3 O14 Ta3 -","- C152 H192 B6 O28 Ta6 -","2","0.333333","","Christian N. Garon; Maxime Daigle; Isabelle Levesque; Philippe Dufour; Hassan Iden; Christian Tessier; Thierry Maris; Jean-François Morin; Frédéric-Georges Fontaine","On the Interaction of Acetone with Electrophilic Metallocavitands Having Extended Cavities","Inorganic Chemistry","2012","51","","10384","10393","10.1021/ic3015755","","","","","","","0.0265","","","0.0265","","","","","","","","","","","has coordinates","260384","2021-01-03","16:04:29",""
"4504285","8.3824","0.0003","8.3824","0.0003","8.3824","0.0003","96.86","","96.86","","96.86","","575.22","0.04","153","2","153","2","","","","","","","","3","R 3 c :R","P 3* -2n","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B12 Ba6 O24 -","6","1","","Pan, Shilie; Smit, Jared P.; Lanier, Courtney H.; Marvel, Michael R.; Marks, Laurence D.; Poeppelmeier, Kenneth R.","Optical Floating Zone Growth of β-BaB2O4from a LiBa2B5O10-Based Solvent","Crystal Growth & Design","2007","7","8","1561","","10.1021/cg0702232","","","0.71073","MoKα","","0.0214","0.0209","","","0.0517","0.0518","","","","","","1.025","","","","has coordinates","179577","2020-10-21","18:00:00",""
"7004240","16.983","0.002","16.983","0.002","16.983","0.002","57.3","0.01","57.3","0.01","57.3","0.01","3248.3","0.8","123","2","123","2","","","","","","","","7","R 3 c :R","P 3* -2n","161","3-(2,6-Diisopropylphenyl)-(1,5-a)-pyridine-(1,3,2)- diazaphospholenium-triflate","3-(2,6-Diisopropylphenyl)-(1,5-a]-pyridine-[1,3,2]- diazaphospholenium-triflate","","- C19 H22 F3 N2 O3 P S -","- C19 H22 F3 N2 O3 P S -","- C114 H132 F18 N12 O18 P6 S6 -","6","1","","Benkő, Zoltán; Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Nyulászi, László; Shore, Nicholas","Pyrido-annellated diazaphospholenes and phospholenium ions","Dalton Transactions","2008","","36","4937","4945","10.1039/b804621b","","","0.71073","MoKα","","0.0448","0.0405","","","0.1041","0.1076","","","","","","1.09","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7009796","18.186","0.002","18.186","0.002","18.186","0.002","69.784","0.017","69.784","0.017","69.784","0.017","5118.8","1.2","293","2","293","2","","","","","","","","6","R 3 c :R","P 3* -2n","161","","","","- C66 H96 Cu6 N6 O60 Pr2 -","- C66 H48 Cu6 N6 O60 Pr2 -","- C132 H96 Cu12 N12 O120 Pr4 -","2","0.333333","","Zhang, Yuan-Jing; Ma, Bao-Qing; Gao, Song; Li, Jun-Ran; Liu, Qin-De; Wen, Ge-Hui; Zhang, Xi-Xiang","The first lanthanide-templated molecular wheel containing six copper ions †","Journal of the Chemical Society, Dalton Transactions","2000","","14","2249","","10.1039/b003670f","","","0.71073","MoKα","","0.0687","0.0615","","","0.1575","0.1633","","","","","","1.07","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7013892","17.903","0.009","17.903","0.009","17.903","0.009","108.35","0.06","108.35","0.06","108.35","0.06","4592","6","293","2","100","2","","","","","","","","5","R 3 c :R","P 3* -2n","161","","","","- C20 H40 Cl2 O18 Sm -","- C20 H40 Cl2 O18 Sm -","- C120 H240 Cl12 O108 Sm6 -","6","1","","Starynowicz, Przemysław","Two complexes of Sm(II) with crown ethers-electrochemical synthesis, structure and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2004","","5","825","832","10.1039/b316253b","","","0.71073","MoKα","","0.1009","0.0548","","","0.0726","0.0811","","","","","","0.931","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013893","18.053","0.011","18.053","0.011","18.053","0.011","108.3","0.06","108.3","0.06","108.3","0.06","4715","7","240","2","240","2","","","","","","","","5","R 3 c :R","P 3* -2n","161","","","","- C20 H40 Cl2 O18 Sm -","- C20 H40 Cl2 O18 Sm -","- C120 H240 Cl12 O108 Sm6 -","6","1","","Starynowicz, Przemysław","Two complexes of Sm(II) with crown ethers-electrochemical synthesis, structure and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2004","","5","825","832","10.1039/b316253b","","","0.71073","MoKα","","0.1464","0.0467","","","0.0526","0.069","","","","","","0.839","","","","has coordinates","179842","2020-10-21","18:00:00",""
"9013407","7.8147","","7.8147","","7.8147","","89.17","","89.17","","89.17","","477.091","","","","84","","","","","","","","","3","R 3 c :R","P 3* -2n","161","","","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","1.33333","","Seidel, P.; Hoffmann, W.","Verfeinerung der kristallstruktur von NaNbO3 N. Bestimmung der absoluten konfiguration und des zwillingsgesetzes Note T = 84 K","Zeitschrift fur Kristallographie","1976","143","","444","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9017518","5.43","","5.43","","5.43","","55.28","","55.28","","55.28","","100.792","","","","","","","","","","","","","2","R 3 c :R","P 3* -2n","161","","","Hematite","- Fe O3 -","- Fe O3 -","- Fe2 O6 -","2","0.333333","","Pauling, L.; Hendricks, S.","The Structure of Hematite","Journal of the American Chemical Society","1925","47","","781","790","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""