# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-15T07:02:09+01:00
# 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 Physical Chemistry') AND volume = 88 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
"1530006","15.923","","7.7011","","8.458","","90","","121.148","","90","","887.636","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Rb3 (N (Ru Cl4 (H2 O))2)","","- Cl8 H4 N O2 Rb3 Ru2 -","- Cl8 H4 N O2 Rb3 Ru2 -","- Cl16 H8 N2 O4 Rb6 Ru4 -","2","0.25","","Good, M.L.; Cavanaugh, M.A.; Trefonas, L.M.; Patil, M.D.; Dodge, J.; Alexander, C.J.; Majeste, R.J.","Further studies on the chemical and physical properties of the nitrido-bridged complexes of ruthenium","Journal of Physical Chemistry","1984","88","","483","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530544","14.601","","14.601","","14.601","","90","","90","","90","","3112.78","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","Cs2.7 D7.3 (Al10 Si38 O96)","","- Al10 Cs2.7 D7.3 O96 Si38 -","- Al9.984 Cs2.7 O96 Si38.016 -","- Al9.984 Cs2.7 O96 Si38.016 -","1","0.0208333","","Parise, J.B.; Abrams, L.; Gier, T.E.; Prince, E.; Corbin, D.R.; Jorgensen, J.D.","Flexibility of the framework of zeolite rho. Structural variation from 11 to 573 K. a study using neutron powder diffraction","Journal of Physical Chemistry","1984","88","","2303","2307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530545","14.758","","14.758","","14.758","","90","","90","","90","","3214.27","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","Cs3.78 D6.22 Si38 Al10 O96","","- Al10 Cs3.78 D6.22 O96 Si38 -","- Al9.984 Cs3.78 O96 Si38.016 -","- Al9.984 Cs3.78 O96 Si38.016 -","1","0.0208333","","Parise, J.B.; Gier, T.E.; Abrams, L.; Corbin, D.R.; Prince, E.; Jorgensen, J.D.","Flexibility of the framework of zeolite rho. Structural variation from 11 to 573 K. a study using neutron powder diffraction","Journal of Physical Chemistry","1984","88","","2303","2307","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530630","6.858","","10.579","","6.646","","90","","94.01","","90","","480.992","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Tc (N O) (N H3)4 (H2 O) Cl2","","- Cl2 H14 N5 O2 Tc -","- Cl2 H14 N5 O2 Tc -","- Cl4 H28 N10 O4 Tc2 -","2","0.5","","Radonovich, L.J.; Hoard, J.L.","The crystal structure and molecular stereochemistry of trans-aquonitrosyl(tetraammine)technetium dichloride. Correlation of stereochemistry with bonding theory.","Journal of Physical Chemistry","1984","88","","6711","6716","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""