# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:35:10+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 'Chemistry Central Journal') AND volume = 7 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
"1547183","6.357","0.0003","7.2377","0.0003","16.7375","0.0007","80.359","0.003","82.469","0.003","72.36","0.003","720.87","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Hamada_F8_30_09_12_a","","","- C15 H10 Cl2 N2 O2 -","- C15 H10 Cl2 N2 O2 -","- C30 H20 Cl4 N4 O4 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","CuKα","","0.0457","0.0424","","","0.1442","0.1474","","","","","","1.9","","","","has coordinates","200923","2020-10-21","18:00:00",""
"1547184","6.0147","0.0002","7.3767","0.0002","16.5968","0.0004","80.941","0.002","85.362","0.001","67.694","0.001","672.6","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Hamada_F4_20_05_12","","","- C15 H11 Cl N2 O2 -","- C15 H11 Cl N2 O2 -","- C30 H22 Cl2 N4 O4 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","","","0.0379","0.0359","","","0.1016","0.1035","","","","","","1.063","","","","has coordinates","200924","2020-10-21","18:00:00",""
"1547185","7.7965","0.0011","11.0035","0.0013","12.2289","0.0017","70.789","0.008","89.602","0.007","85.231","0.007","987","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl2 N4 O2 -","- C20 H16 Cl2 N4 O2 -","- C40 H32 Cl4 N8 O4 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0641","","","","0.2135","","","","","","0.874","","","","has coordinates","200925","2020-10-21","18:00:00",""
"1547186","27.918","0.004","6.6325","0.0008","24.125","0.003","90","","113.965","0.009","90","","4082","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hamada_F24_22_04_12","","","- C20 H16 Cl N5 O4 -","- C20 H16 Cl N5 O4 -","- C160 H128 Cl8 N40 O32 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","CuKα","","0.1154","0.0781","","","0.1746","0.1984","","","","","","1.109","","","","has coordinates,has disorder","200926","2020-10-21","18:00:00",""
"1547187","7.5481","0.0006","21.3823","0.0013","27.862","0.002","90","","90","","90","","4496.8","0.6","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Cl2 N4 O4 -","- C22 H20 Cl2 N4 O4 -","- C176 H160 Cl16 N32 O32 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.067","","","","0.1965","","","","","","0.998","","","","has coordinates","200927","2020-10-21","18:00:00",""
"1547188","8.918","0.001","10.6964","0.0011","13.2165","0.0014","73.044","0.006","81.609","0.006","70.078","0.005","1132.2","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 N6 O3 S -","- C20 H16 Cl2 N6 O3 S -","- C40 H32 Cl4 N12 O6 S2 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0471","","","","0.1891","","","","","","1.122","","","","has coordinates","200928","2020-10-21","18:00:00",""
"1547189","9.8702","0.0007","18.7297","0.0014","19.4912","0.0015","90","","92.397","0.004","90","","3600.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hamada_F6_14_03_12","","","- C20 H15 Cl N2 O4 -","- C20 H15 Cl N2 O4 -","- C160 H120 Cl8 N16 O32 -","8","2","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","CuKα","","0.0685","0.0468","","","0.1277","0.1346","","","","","","1.054","","","","has coordinates,has disorder","200929","2020-10-21","18:00:00",""
"1547190","26.252","0.002","7.3051","0.0005","24.0223","0.0018","90","","90","","90","","4606.8","0.6","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H17 Cl2 N5 O5 -","- C22 H17 Cl2 N5 O5 -","- C176 H136 Cl16 N40 O40 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0585","","","","0.1531","","","","","","0.961","","","","has coordinates","200930","2020-10-21","18:00:00",""
"1547191","8.0271","0.001","14.5864","0.0013","21.531","0.003","90","","97.548","0.007","90","","2499.1","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N5 O6 -","- C24 H19 Cl2 N5 O6 -","- C96 H76 Cl8 N20 O24 -","4","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0458","","","","0.1531","","","","","","1.098","","","","has coordinates","200931","2020-10-21","18:00:00",""
"1547206","8.002","0.0008","9.498","0.001","11.6401","0.0012","81.034","0.008","77.83","0.008","73.12","0.008","823.29","0.15","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","Bis[tris(2-hydroxyethyl)amine]-nickel(II)- bis-[(4-chlorophenylsulfanyl)acetate]","","- C28 H42 Cl2 N2 Ni O10 S2 -","- C28 H42 Cl2 N2 Ni O10 S2 -","- C28 H42 Cl2 N2 Ni O10 S2 -","1","0.5","","Adamovich, S. N.; Mirskova, A. N.; Mirskov, R. G.; Schilde, Uwe","Reaction of pharmacological active tris-(2-hydroxyethyl)ammonium 4-chlorophenylsulfanylacetate with ZnCl2 or NiCl2: First conversion of a protic ionic liquid into metallated ionic liquid","Chemistry Central Journal","2013","7","","34","","10.1186/1752-153X-7-34","","","0.71073","MoKα","","0.0445","0.03","","","0.0575","0.0603","","","","","","0.964","","","","has coordinates","200971","2020-10-21","18:00:00",""
"1547207","8.2822","0.0002","16.5364","0.0003","14.5365","0.0003","90","","91.988","0.0019","90","","1989.69","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Co Fe N12 O2 -","- C12 H28 Co Fe N12 O2 -","- C48 H112 Co4 Fe4 N48 O8 -","4","1","","Zdenek Travnicek; Radek Zboril; Miroslava Matikova-Malarova; Bohuslav Drahos; Juraj Cernak","Thermal decomposition of [Co(en)3][Fe(CN)6].2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation","Chemistry Central Journal","2013","7","","28","","10.1186/1752-153X-7-28","","","0.71073","MoKα","","0.0354","0.0265","","","0.0807","0.0976","","","","","","1.169","","","","has coordinates","200972","2020-10-21","18:00:00",""
"1547208","15.0448","0.0003","8.4631","0.0002","14.9812","0.0003","90","","90.1603","0.0019","90","","1907.48","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Co2 Fe2 N24 O -","- C24 H50 Co2 Fe2 N24 O -","- C48 H100 Co4 Fe4 N48 O2 -","2","0.5","","Zdenek Travnicek; Radek Zboril; Miroslava Matikova-Malarova; Bohuslav Drahos; Juraj Cernak","Thermal decomposition of [Co(en)3][Fe(CN)6].2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation","Chemistry Central Journal","2013","7","","28","","10.1186/1752-153X-7-28","","","0.71073","MoKα","","0.0333","0.0263","","","0.0796","0.0948","","","","","","1.246","","","","has coordinates","200973","2020-10-21","18:00:00",""
"1547209","9.699","0.001","8.5","0.001","18.044","0.002","90","","101.29","0.007","90","","1458.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O S -","- C16 H15 N3 O S -","- C64 H60 N12 O4 S4 -","4","1","","Behrooz Rezaei; Mehrnoosh Fazlollahi","Synthesis, solvatochromism and crystal structure of 5-Methoxy-5,6-diphenyl-4,5-dihydro-2H -1,2,4-triazine-3-thione","Chemistry Central Journal","2013","7","","130","","10.1186/1752-153X-7-130","","","0.71069","MoKα","","0.0391","0.0371","","","0.1008","0.1024","","","","","","1.062","","","","has coordinates","200974","2020-10-21","18:00:00",""
"1547215","10.2944","0.0001","13.6664","0.0002","19.4983","0.0002","90","","90","","90","","2743.16","0.06","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N O2 P S2 -","- C24 H46 N O2 P S2 -","- C96 H184 N4 O8 P4 S8 -","4","1","","Samet Solak; Cemal Aydemir; Mehmet Karakus; Peter Lonnecke","Novel Gold(I) and Silver(I) Complexes of Phosphorus-1,1,-dithiolates and Molecular Structure of [O,O'-(Bornyl)2PS2]H3NC(CH3)3","Chemistry Central Journal","2013","7","","89","","10.1186/1752-153X-7-89","","","0.71073","MoKα","","0.0403","0.0348","","","0.0909","0.0925","","","","","","0.997","","","","has coordinates","200980","2020-10-21","18:00:00",""
"1547244","11.234","0.0014","12.431","0.0017","13.347","0.0012","83.037","0.007","71.297","0.006","89.54","0.005","1751.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H56 N2 O4 Ti -","- C35 H56 N2 O4 Ti -","- C70 H112 N4 O8 Ti2 -","2","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.1066","0.0564","","","0.1265","0.1497","","","","","","1.034","","","","has coordinates","201063","2020-10-21","18:00:00",""
"1547245","19.372","0.0007","9.652","0.0004","20.395","0.001","90","","116.015","0.002","90","","3427","0.3","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H56 N2 O4 Ti -","- C35 H56 N2 O4 Ti -","- C140 H224 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.1272","0.0837","","","0.196","0.2254","","","","","","1.079","","","","has coordinates","201064","2020-10-21","18:00:00",""
"1547246","10.925","0.0007","14.72","0.0012","27.104","0.0014","90","","90","","90","","4358.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H76 N2 O4 Ti -","- C45 H76 N2 O4 Ti -","- C180 H304 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.0918","0.0607","","","0.1452","0.1651","","","","","","1.039","","","","has coordinates,has disorder","201065","2020-10-21","18:00:00",""
"1547247","14.053","0.0002","13.582","0.0002","20.148","0.0004","90","","91.528","0.001","90","","3844.24","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 N2 O4 Ti -","- C40 H60 N2 O4 Ti -","- C160 H240 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.083","0.0503","","","0.1156","0.1348","","","","","","1.027","","","","has coordinates,has disorder","201066","2020-10-21","18:00:00",""
"1547250","10.3809","0.0002","11.7017","0.0003","11.3918","0.0002","90","","91.742","0.001","90","","1383.17","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 Br2 N4 O2 -","- C28 H36 Br2 N4 O2 -","- C56 H72 Br4 N8 O4 -","2","1","","Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima","Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)","Chemistry Central Journal","2013","7","","27","","10.1186/1752-153X-7-27","","","0.71073","MoKα","","0.0457","0.0334","","","0.0598","0.063","","","","","","0.934","","","","has coordinates","201069","2020-10-21","18:00:00",""
"1547251","16.3719","0.0004","10.0392","0.0002","19.1499","0.0004","90","","96.896","0.001","90","","3124.72","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 F12 N4 P2 -","- C28 H32 F12 N4 P2 -","- C112 H128 F48 N16 P8 -","4","1","","Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima","Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)","Chemistry Central Journal","2013","7","","27","","10.1186/1752-153X-7-27","","","0.71073","MoKα","","0.0707","0.0522","","","0.1309","0.1531","","","","","","1.041","","","","has coordinates","201070","2020-10-21","18:00:00",""
"1547252","12.0379","0.0006","10.2165","0.0005","12.7232","0.0006","90","","96.236","0.001","90","","1555.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 F12 N4 P2 -","- C28 H32 F12 N4 P2 -","- C56 H64 F24 N8 P4 -","2","0.5","","Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima","Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)","Chemistry Central Journal","2013","7","","27","","10.1186/1752-153X-7-27","","","0.71073","MoKα","","0.0456","0.037","","","0.1068","0.1134","","","","","","1.043","","","","has coordinates","201071","2020-10-21","18:00:00",""
"1547257","9.5682","0.0002","15.8094","0.0004","13.5902","0.0002","90","","99.76","0.001","90","","2026","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O6 -","- C23 H24 O6 -","- C92 H96 O24 -","4","1","","Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket","Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination","Chemistry Central Journal","2013","7","","107","","10.1186/1752-153X-7-107","","","0.71069","MoKα","","0.1058","0.0671","","","0.1655","0.2056","","","","","","1.094","","","","has coordinates","201076","2020-10-21","18:00:00",""
"1547258","30.699","0.005","8.444","0.005","8.788","0.005","90","","90","","90","","2278","1.9","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H24 O7 -","- C24 H24 O7 -","- C96 H96 O28 -","4","0.5","","Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket","Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination","Chemistry Central Journal","2013","7","","107","","10.1186/1752-153X-7-107","","","0.71072","MoKα","","0.0891","0.0701","","","0.2122","0.231","","","","","","1.053","","","","has coordinates","201077","2020-10-21","18:00:00",""
"1547259","7.9853","0.0003","27.0569","0.0008","19.2058","0.0005","90","","101.888","0.003","90","","4060.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 O6 -","- C23 H24 O6 -","- C184 H192 O48 -","8","2","","Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket","Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination","Chemistry Central Journal","2013","7","","107","","10.1186/1752-153X-7-107","","","0.71073","MoKα","","0.1256","0.0642","","","0.162","0.1897","","","","","","1.058","","","","has coordinates","201078","2020-10-21","18:00:00",""
"1547260","10.8388","0.0003","8.8885","0.0003","22.1827","0.0007","90","","100.433","0.003","90","","2101.76","0.12","291","2","291","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","3-nitroso-2-phenylimidazo[1,2-a]pyridine","","- C13 H9 N3 O -","- C13 H9 N3 O -","- C104 H72 N24 O8 -","8","2","","Manuel Velazquez-Ponce; Hector Salgado-Zamora; Hugo A Jimenez-Vazquez; Maria Elena Campos-Aldrete; Rogelio Jimenez; Humberto Cervantes; Taibi Ben Hadda","Intramolecular H-bonding interaction in angular 3-pi-EWG substituted imidazo[1,2-a]pyridines contributes to conformational preference","Chemistry Central Journal","2013","7","","20","","10.1186/1752-153X-7-20","","x-ray","0.71073","MoKα","","0.1249","0.0754","","","0.134","0.1481","","","","","","1.125","","","","has coordinates","201079","2020-10-21","18:00:00",""