# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-10-27T18:28:16+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 'Inorganica Chimica Acta') AND volume = 378 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
"1509140","8.0816","0.0005","8.2729","0.0005","12.4711","0.0008","94.457","0.001","99.007","0.001","111.19","0.001","759.63","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Cl2 Cu N12 O8 -","- C20 H36 Cl2 Cu N12 O8 -","- C20 H36 Cl2 Cu N12 O8 -","1","0.5","","Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Inorganica Chimica Acta","2011","378","","194","201","10.1016/j.ica.2011.08.060","","","0.71073","MoKα","","0.04","0.0378","","","0.1154","0.1173","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509141","8.841","0.005","8.667","0.005","16.086","0.005","90","","110","0.02","90","","1158.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N12 Ni O2 -","- C18 H30 N12 Ni O2 -","- C36 H60 N24 Ni2 O4 -","2","0.5","","Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Inorganica Chimica Acta","2011","378","","194","201","10.1016/j.ica.2011.08.060","","","0.71069","MoKα","","0.0323","0.029","","","0.0788","0.081","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509142","9.1952","0.0006","10.0364","0.0006","13.0833","0.0008","78.24","0.001","75.027","0.001","77.782","0.001","1125.69","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N12 Ni O2 -","- C18 H30 N12 Ni O2 -","- C36 H60 N24 Ni2 O4 -","2","1","","Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Inorganica Chimica Acta","2011","378","","194","201","10.1016/j.ica.2011.08.060","","","0.71073","MoKα","","0.0375","0.034","","","0.0816","0.0837","","","","","","1.078","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509143","14.9583","0.0009","19.8392","0.0012","14.5068","0.0009","90","","107.401","0.001","90","","4108","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Cl Cu N8 O5.5 -","- C12 H25 Cl Cu N8 O5.5 -","- C96 H200 Cl8 Cu8 N64 O44 -","8","2","","Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Inorganica Chimica Acta","2011","378","","194","201","10.1016/j.ica.2011.08.060","","","0.71073","MoKα","","0.0839","0.0695","","","0.1706","0.1801","","","","","","1.15","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509144","9.018","0.005","12.357","0.005","13.105","0.005","68.762","0.005","88.86","0.005","88.401","0.005","1360.6","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H28 Cl2 N14 O8 Zn2 -","- C16 H28 Cl2 N14 O8 Zn2 -","- C32 H56 Cl4 N28 O16 Zn4 -","2","1","","Caballero, Ana B.; Rodríquez-Diéguez, Antonio; Quirós, Miguel; Lezama, Luis; Salas, Juan M.","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Inorganica Chimica Acta","2011","378","","194","201","10.1016/j.ica.2011.08.060","","","0.71069","MoKα","","0.1692","0.0936","","","0.1967","0.238","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513096","10.0902","0.0007","11.9848","0.0009","14.7501","0.0011","89.088","0.001","71.984","0.001","88.251","0.001","1695.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 N6 O18 Rh2 -","- C66 H54 N6 O18 Rh2 -","- C66 H54 N6 O18 Rh2 -","1","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Rhodium paddlewheel dimers containing the π···π stacking, 1,8-naphthalimide supramolecular synthon","Inorganica Chimica Acta","2011","378","1","42","48","10.1016/j.ica.2011.08.011","","","0.71073","MoKα","","0.051","0.0384","","","0.0845","0.0879","","","","","","0.941","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1513099","11.1223","0.0007","11.8226","0.0007","14.3795","0.0009","101.559","0.001","103.35","0.001","96.669","0.001","1776.07","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H71 N9 O19 Rh2 -","- C79 H71 N9 O19 Rh2 -","- C79 H71 N9 O19 Rh2 -","1","0.5","","Daniel L. Reger; Agota Debreczeni; Mark D. Smith","Rhodium paddlewheel dimers containing the π···π stacking, 1,8-naphthalimide supramolecular synthon","Inorganica Chimica Acta","2011","378","1","42","48","10.1016/j.ica.2011.08.011","","","0.71073","MoKα","","0.0397","0.0341","","","0.0851","0.0885","","","","","","1.064","","","","has coordinates,has disorder","301776","2025-08-18","14:47:42",""