# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T07:26:59+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of the American Chemical Society') AND volume = 99 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
"4119066","12.295","","12.295","","12.295","","90","","90","","90","","1858.6","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag12 (Si12 Al12 O48)","","- Ag12 Al12 O48 Si12 -","- Ag11.8994 Al12 O48 Si12 -","- Ag11.8994 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","Structure of a very small piece of silver metal. The octahedral Ag6 molecule. Two crystal structures of partially decomposed vacuum-dehydrated fully Ag+ -exchanged zeolite A","Journal of the American Chemical Society","1977","99","","7055","7057","10.1021/ja00463a047","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4124425","12.261","","12.261","","12.261","","90","","90","","90","","1843.22","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Rb11 Na (Al12 Si12 O48)","","- Al12 Na O48 Rb11 Si12 -","- Al12 Na O48 Rb11 Si12 -","- Al12 Na O48 Rb11 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Zero-coordinate Rb+. The dehydrated and hydrated crystal structures of eleven-twelfths rubidium-exchanged zeolite A","Journal of the American Chemical Society","1977","99","","1112","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124426","12.321","","12.321","","12.321","","90","","90","","90","","1870.42","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Rb11 Na (Al Si O4)12 (H2 O)7","","- Al12 H14 Na O55 Rb11 Si12 -","- Al12 O54.996 Rb11.0062 Si12 -","- Al12 O54.996 Rb11.0062 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Zero-coordinate Rb+. The dehydrated and hydrated crystal structures of eleven-twelfths rubidium-exchanged zeolite A","Journal of the American Chemical Society","1977","99","","1112","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124427","12.266","","12.266","","12.266","","90","","90","","90","","1845.48","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Cs7 K5 Al12 Si12 O48","","- Al12 Cs7 K5 O48 Si12 -","- Al12 Cs7 K5 O48 Si12 -","- Al12 Cs7 K5 O48 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Zero-coordinate K+: Crystal structure of dehydrated cesium and potassium exchanged zeolite A. Cs7 K5 - A","Journal of the American Chemical Society","1977","99","","6249","6253","","","","","","","","","","","","","","","","","","","","","","has coordinates","154858","2020-10-21","18:00:00",""
"4124428","12.296","","12.296","","12.296","","90","","90","","90","","1859.05","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Eu5.75 Na0.5 Si12 Al12 O48","","- Al12 Eu5.75 Na0.5 O48 Si12 -","- Al12 Eu5.7499 O48 Si12 -","- Al12 Eu5.7499 O48 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Near-zero-coordinate, three-coordinate, and four-coordinate europium(II). Bonding effects involving europium(II) valence orbitals. Crystal structure of dehydrated near-fully europium(II)- exchanged zeolite A","Journal of the American Chemical Society","1977","99","","7059","7061","","","","","","","","","","","","","","","","","","","","","","has coordinates","154859","2020-10-21","18:00:00",""
"4124429","12.38","","12.38","","12.38","","90","","90","","90","","1897.41","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Tl13 (Al12 Si12 O48) (O H) (H2 O)9","","- Al12 H19 O58 Si12 Tl13 -","- Al12 O57 Si12 Tl13.0016 -","- Al12 O57 Si12 Tl13.0016 -","1","0.0208333","","Firor, R.L.; Seff, K.","Near-zero-coordinate thallium(I). The crystal structures of hydrated and dehydrated zeolite A fully exchanged with Tl O H","Journal of the American Chemical Society","1977","99","","4039","4044","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124430","12.18","","12.18","","12.18","","90","","90","","90","","1806.93","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Tl12 (Al12 Si12 O48)","","- Al12 O48 Si12 Tl12 -","- Al12 O48 Si12 Tl12.0008 -","- Al12 O48 Si12 Tl12.0008 -","1","0.0208333","","Firor, R.L.; Seff, K.","Near-zero-coordinate thallium(I). The crystal structures of hydrated and dehydrated zeolite A fully exchanged with Tl O H","Journal of the American Chemical Society","1977","99","","4039","4044","","","","","","","","","","","","","","","","","","","","","","has coordinates","154861","2020-10-21","18:00:00",""
"4124442","12.295","","12.295","","12.295","","90","","90","","90","","1858.6","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Ag4)2 (N3 H5)9 (Si12 Al12 O48)","","- Ag8 Al12 H45 N27 O48 Si12 -","- Ag8.0004 Al12 N27.0006 O48 Si12 -","- Ag8.0004 Al12 N27.0006 O48 Si12 -","1","0.0208333","","Kim, Y.; Gilje, J.W.; Seff, K.","Synthesis and structures of two new hydrides of nitrogen, triazane (N3 H5) and cyclotriazane (N3 H3). Crystallographic ... analyses of vacuum-dehydrated patially decomposed fully Ag+ -exchanged Zeolite A ...","Journal of the American Chemical Society","1977","99","","7057","7059","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124455","5.687","","15.168","","12.909","","90","","90","","90","","1113.54","","","","","","","","","","","","","1","C m c m","-C 2c 2","63","","Ir (C O)3 Cl","","- Ir -","- Ir -","- Ir8 -","8","0.5","","Reis, A.H.jr.; Hagley, V.S.; Peterson, S.W.","Stabilization of one-dimensional conducting materials by carbonyl ligands. Crystal structure and molecular structure of Ir (C O)3 Cl","Journal of the American Chemical Society","1977","99","","4184","4186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124469","23.072","","11.557","","5.543","","90","","90","","90","","1478","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","K2 Fe (C O)4","","- C4 Fe K2 O4 -","- C4 Fe K2 O4 -","- C32 Fe8 K16 O32 -","8","0.25","","Teller, R.G.; Finke, R.G.; Bau, R.; Collman, J.P.; Chin, H.B.","Dependence of the (Fe (C O)4)(2-) geometry on counterion: crystal structures of K2 Fe (C O)4 and (Na(Crypt))2(Fe (C O)4) (Crypt=N(CH2CH2OCH2CH2OCH2CH2)3N)","Journal of the American Chemical Society","1977","99","","1104","1111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124471","16.587","","16.587","","7.087","","90","","90","","90","","1949.84","","","","","","","","","","","","","4","I -4","I -4","82","","Cs8.087 (Xe O3 Cl2.01)4 Cl0.247","","- Cl8.287 Cs8.087 O12 Xe4 -","- Cl8.287 Cs8.087 O12 Xe4 -","- Cl16.574 Cs16.174 O24 Xe8 -","2","0.25","","Willett, R.D.; Peterson, S.W.; Coyle, B.A.","Structural evidence for xenon-chlorine bonding. Neutron and X-Ray diffraction determinations of the structure of cesium and rubidium trioxodichloroxenate(VI) chloride, Cs9 (Xe O3 Cl2)4 Cl and Rb9 (Xe O3 Cl2)4 Cl","Journal of the American Chemical Society","1977","99","","8202","8207","","","","","","","","","","","","","","","","","","","","","","has coordinates","156248","2020-10-21","18:00:00",""
"4124472","15.97","","15.97","","6.91","","90","","90","","90","","1762.33","","","","","","","","","","","","","4","I -4","I -4","82","","Rb8.213 (Xe O3 Cl1.98)4 Cl0.253","","- Cl8.173 O10.8 Rb8.213 Xe4 -","- Cl8.173 O10.8 Rb8.213 Xe4 -","- Cl16.346 O21.6 Rb16.426 Xe8 -","2","0.25","","Willett, R.D.; Peterson, S.W.; Coyle, B.A.","Structural evidence for xenon-chlorine bonding. Neutron and X-Ray diffraction determinations of the structure of cesium and rubidium trioxodichloroxenate(VI) chloride, Cs9 (Xe O3 Cl2)4 Cl and Rb9 (Xe O3 Cl2)4 Cl","Journal of the American Chemical Society","1977","99","","8202","8207","","","","","","","","","","","","","","","","","","","","","","has coordinates","156249","2020-10-21","18:00:00",""
"4124791","10.799","","10.684","","10.663","","90","","95.71","","90","","1224.16","","","","","","","","","","","","","1","P 1 21 1","P 2yb","4","","","","- S8 -","- S8 -","- S48 -","6","3","","Goldsmith, L.M.; Strouse, C.E.","Molecular dynamics in the solid state. the order - disorder transition of monoclinic sulfur","Journal of the American Chemical Society","1977","99","","7580","7589","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124843","6.763","","7.89","","7.256","","92.3","","133.1","","91","","281.942","","","","","","","","","","","","","4","P -1","-P 1","2","","((N H3)2 Pt O H)2 (N O3)2","","- H14 N6 O8 Pt2 -","- H14 N6 O8 Pt2 -","- H14 N6 O8 Pt2 -","1","0.5","","Faggiani, R.; Lippert, B.; Rosenberg, B.; Lock, C. J. L.","Hydroxo-Bridged Platinum(II) Complexes. I. Di-mue-hydroxo-bis(diammineplatinum(II)) Nitrate, ((N H3)2 Pt (O H)2 Pt (N H3)2) (N O3)2. Crystalline Structure and Vibrational Spectra","Journal of the American Chemical Society","1977","99","","777","780","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"5000139","8.836","0.001","12.416","0.001","18.76","0.002","90","","90","","90","","2058.12","","","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Oxytetracycline","","- C22 H24 N2 O9 -","- C22 H24 N2 O9 -","- C88 H96 N8 O36 -","4","1","","Prewo, R.; Stezowski, J. J.","Chemical-structural properties of tetracycline derivatives. 3. The integrity of the conformation of the nonionized free base","Journal of the American Chemical Society","1977","99","4","1117","1121","10.1021/ja00446a024","","","","","","","5.4","","","5.4","","","","","","","","","","","has coordinates","187366","2020-10-21","18:00:00",""
"5000280","8.144","0.006","11.439","0.006","19.712","0.008","90","","94.12","0.05","90","","1831.61","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","","Miles, D. Howard; Bhattacharyya, J.; Mody, Naresh V.; Atwood, Jerry L.; Black, Susan; Hedin, Paul A.","Antineoplastic agents. 3. The structure of juncusol. A novel cytotoxic dihydrophenanthrene from the estuarine marsh plant juncus reomerianus","Journal of the American Chemical Society","1977","99","2","618","620","10.1021/ja00444a056","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""