# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T23:20:01+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 'Symmetry') 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
"1558009","17.4894","0.0005","7.242","0.00017","20.4992","0.0005","90","","106.179","0.003","90","","2493.56","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N3 O2 -","- C12 H14 Br N3 O2 -","- C96 H112 Br8 N24 O16 -","8","2","","Bolotin, Dmitrii S.; Il’in, Mikhail V.; Suslonov, Vitalii V.; Novikov, Alexander S.","Symmetrical Noncovalent Interactions Br···Br Observed in Crystal Structure of Exotic Primary Peroxide","Symmetry","2020","12","4","637","","10.3390/sym12040637","","","0.71073","MoKα","","0.0502","0.0351","","","0.0731","0.0793","","","","","","1.03","","","","has coordinates","251784","2020-10-21","18:00:00",""
"1559476","11.1004","0.0009","11.3611","0.0008","13.2166","0.0009","65.35","0.003","89.871","0.004","81.713","0.003","1495.97","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","2","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0926","0.0576","","","0.1418","0.165","","","","","","1.04","","","","has coordinates,has disorder","259006","2020-11-06","21:31:28",""
"1559477","11.2314","0.0003","11.6094","0.0003","12.1689","0.0003","85.027","0.002","73.439","0.002","78.714","0.002","1490.66","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-[rel-(1S,4R,8S)-6-Acetyl-8-(2-oxo-1-pyrrolidinyl)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]-3,4,5-trimethoxybenzamide 1-vinyl-2-pyrrolidone solvate","","- C30 H37 N3 O9 -","- C30 H37 N3 O9 -","- C60 H74 N6 O18 -","2","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0715","0.0482","","","0.1219","0.1385","","","","","","1.017","","","","has coordinates","259007","2020-11-06","21:31:51",""
"1559478","12.1827","0.0003","14.8081","0.0004","18.6214","0.0004","90","","90","","90","","3359.35","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","rac-Methyl 5-(Benzoylamino)-4-ethoxy-2-methylcyclohexa-1,5-diene-1-carboxylate","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.094","0.0586","","","0.1431","0.1709","","","","","","1.046","","","","has coordinates","259008","2020-11-06","21:32:15",""
"1559479","9.2483","0.0003","11.4819","0.0003","12.1508","0.0003","112.763","0.002","93.341","0.002","106.199","0.002","1122.23","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C52 H48 N4 O10 -","2","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0768","0.0535","","","0.1356","0.1547","","","","","","1.025","","","","has coordinates","259009","2020-11-06","21:32:36",""
"1559480","25.6982","0.0006","13.3577","0.0002","18.3592","0.0004","90","","127.29","0.001","90","","5013.85","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-[rel-(1S,4R,8S)-6-Benzoyl-8-(cyclohexyloxy)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]benzamide","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C224 H232 N8 O40 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0874","0.0551","","","0.1413","0.1683","","","","","","1.023","","","","has coordinates","259010","2020-11-06","21:32:58",""
"1559481","13.6258","0.0002","15.0585","0.0003","17.0887","0.0003","90","","90","","90","","3506.33","0.11","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","N-[rel-(1S,4R,8S)-6-Acetyl-8-ethoxy-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-4-yl]benzamide","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C152 H168 N8 O40 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0595","0.0442","","","0.1092","0.1206","","","","","","1.05","","","","has coordinates","259011","2020-11-06","21:33:20",""
"1559482","10.1996","0.0004","19.644","0.0011","12.5325","0.0006","90","","113.734","0.003","90","","2298.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[rel-(1S,4R,8R)-6-Acetyl-8-(2-oxo-1-pyrrolidinyl)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]-3,4,5-trimethoxybenzamide","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C96 H112 N8 O32 -","4","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.1184","0.0573","","","0.1252","0.1572","","","","","","1.038","","","","has coordinates","259012","2020-11-06","21:33:41",""
"1559483","13.2171","0.0002","14.2221","0.0003","17.1809","0.0004","90","","90","","90","","3229.58","0.11","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C136 H152 N8 O48 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0618","0.0471","","","0.1293","0.1429","","","","","","1.044","","","","has coordinates","259013","2020-11-06","21:34:03",""
"1569087","10.2051","0.0016","6.3872","0.0009","12.4369","0.0018","90","","102.597","0.012","90","","791.1","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.673 Eu0.327 O10 -","- B4 Ba Bi1.666 Eu0.334 O10 -","- B16 Ba4 Bi6.664 Eu1.336 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0659","0.0342","","","0.0318","0.0351","","","","1.25","1.25","1.12","","","","has coordinates","283561","2023-05-06","07:06:06",""
"1569088","10.1862","0.0016","6.3819","0.0009","12.4466","0.0018","90","","102.701","0.012","90","","789.3","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.942 Eu0.058 O10 -","- B4 Ba Bi1.94 Eu0.06 O10 -","- B16 Ba4 Bi7.76 Eu0.24 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0551","0.0317","","","0.0305","0.0329","","","","1.25","1.25","1.13","","","","has coordinates","283562","2023-05-06","07:06:43",""
"1569089","10.236","0.0016","6.3962","0.0009","12.3912","0.0018","90","","102.424","0.012","90","","792.3","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba Bi1.574 Eu0.426 O10 -","- B4 Ba Bi1.574 Eu0.426 O10 -","- B16 Ba4 Bi6.296 Eu1.704 O40 -","4","1","","Shablinskii, Andrey P.; Povolotskiy, Alexey V.; Yuriev, Artem A.; Biryukov, Yaroslav P.; Bubnova, Rimma S.; Avdontceva, Margarita S.; Janson, Svetlana Yu.; Filatov, Stanislav K.","Novel Red-Emitting BaBi2B4O10:Eu3+ Phosphors: Synthesis, Crystal Structure and Luminescence","Symmetry","2023","15","4","918","","10.3390/sym15040918","","x-ray","0.71073","MoKα","","0.0414","0.0269","","","0.0281","0.0299","","","","1.32","1.32","1.22","","","","has coordinates","283563","2023-05-06","07:07:10",""
"1570282","12.1859","0.0003","12.1859","0.0003","19.308","0.0006","90","","90","","120","","2483.04","0.12","300.1","0.6","300.1","0.6","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","- Cl3 F18 Na63 O84 S21 -","3","0.5","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0434","0.0334","","","0.0954","0.1017","","","","","","1.009","","","","has coordinates","287466","2023-11-07","08:11:13",""
"1570283","7.0714","0.0002","7.0714","0.0002","19.5972","0.0007","90","","90","","120","","848.66","0.05","600","0.4","600","0.4","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","- Cl F6 Na21 O28 S7 -","1","0.0833333","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0578","0.0485","","","0.1602","0.1697","","","","","","1.018","","","","has coordinates,has disorder","287467","2023-11-07","08:11:40",""
"1570284","12.1903","0.0002","12.1903","0.0002","13.9454","0.0002","90","","90","","120","","1794.69","0.05","300.1","0.6","300.1","0.6","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Cl F4 Na15 O20 S5 -","- Cl F4 Na15 O20 S5 -","- Cl3 F12 Na45 O60 S15 -","3","0.5","","Avdontceva, Margarita S.; Zolotarev, Andrey A.; Shablinskii, Andrey P.; Bocharov, Vladimir N.; Kasatkin, Anatoly V.; Krivovichev, Sergey V.","Galeite, Na15(SO4)5ClF4, and Schairerite, Na21(SO4)7ClF6: Phase Transitions, Thermal Expansion and Thermal Stability","Symmetry","2023","15","10","1871","","10.3390/sym15101871","","x-ray","0.71073","MoKα","","0.0294","0.0273","","","0.0709","0.0722","","","","","","1.031","","","","has coordinates","287468","2023-11-07","08:12:03",""
"1571563","7.4865","","17.8463","","25.6545","","90","","90","","90","","3427.6","","103","","103","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- Na8.154744 O124.8117 Si60 -","- Na8.156 O124.812 Si60 -","- Na8.156 O124.812 Si60 -","1","0.125","","Örs, Taylan; Deroche, Irena; Chatelard, Corentin; Dodin, Mathias; Martinez-Franco, Raquel; Tuel, Alain; Paillaud, Jean-Louis","Determination of Na+ Cation Locations in Nanozeolite ECR-1 Using a 3D ED Method","Symmetry","2024","16","4","477","","10.3390/sym16040477","","electron","0.02508","electron","","0.5174","0.0966","","","0.1798","0.2245","","","","2.7302","2.7302","0.7976","","","","has coordinates","291713","2024-05-06","01:26:35",""
"1572542","10.9657","0.0004","10.9657","0.0004","19.0815","0.001","90","","90","","120","","1987.08","0.15","304","","304","","","","","","","","","5","P 65","P 65","170","","","","- C11 H12 N2 O5 Zn -","- C11 H12 N2 O5 Zn -","- C66 H72 N12 O30 Zn6 -","6","1","","Song, Ting; Zhu, Yinning; Li, Zhehao; Mei, Zhewei; Shao, Zhen-Wu; Liu, Chong","A Robust Zn-Hydroxamate Metal–Organic Framework Constructed from an Unsymmetrical Ligand for Iodine Capture","Symmetry","2024","16","8","1049","","10.3390/sym16081049","","","0.71073","MoKα","","0.0527","0.0396","","","0.0927","0.0981","","","","","","1.034","","","","has coordinates","294672","2024-09-07","02:23:16",""