# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-26T19:49:26+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 'New Journal of Chemistry') AND volume = 31 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
"7052040","18.795","0.0009","18.795","0.0009","29.9286","0.0019","90","","90","","90","","10572.3","1","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C23 H45 Ce0.5 Cl N2 Na0.5 -","- C23 H45 Ce0.5 Cl N2 Na0.5 -","- C368 H720 Ce8 Cl16 N32 Na8 -","16","1","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.0628","0.0333","","","0.0715","0.0798","","","","","","0.914","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052041","12.6251","0.0013","15.995","0.0013","24.079","0.004","90","","100.451","0.016","90","","4781.8","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H78 Cl2 Na O4 Sm -","- C42 H78 Cl2 Na O4 Sm -","- C168 H312 Cl8 Na4 O16 Sm4 -","4","1","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.0787","0.0373","","","0.0656","0.0735","","","","","","0.82","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052042","12.6235","0.0007","18.0143","0.001","35.025","0.003","90","","90","","90","","7964.8","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H67 Al Cl Nd -","- C37 H67 Al Cl Nd -","- C296 H536 Al8 Cl8 Nd8 -","8","1","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.0686","0.0411","","","0.0955","0.1048","","","","","","1.041","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052043","13.2826","0.0008","11.7557","0.0005","34.576","0.003","90","","97.344","0.008","90","","5354.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 Cl2 O2 Yb -","- C25 H45 Cl2 O2 Yb -","- C200 H360 Cl16 O16 Yb8 -","8","2","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.0536","0.04","","","0.0789","0.0825","","","","","","0.984","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052044","16.2836","0.0011","16.2836","0.0011","16.2836","0.0011","109.604","0.007","109.604","0.007","109.604","0.007","3307.3","0.6","293","2","293","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C40 H72 Cl2 O4 Yb2 -","- C40 H72 Cl2 O4 Yb2 -","- C120 H216 Cl6 O12 Yb6 -","3","0.5","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.0483","0.0422","","","0.0842","0.0871","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052045","11.7891","0.0006","15.4829","0.0008","18.5865","0.001","90","","95.586","0.006","90","","3376.5","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 I Tm -","- C34 H58 I Tm -","- C136 H232 I4 Tm4 -","4","1","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.038","0.0244","","","0.0483","0.0502","","","","","","0.885","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052046","8.8947","0.0006","13.8338","0.0007","10.3037","0.0008","90","","105.603","0.008","90","","1221.12","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H39 Cl2 O2 Tm -","- C21 H39 Cl2 O2 Tm -","- C42 H78 Cl4 O4 Tm2 -","2","1","","Marc D. Walter; Dirk Bentz; Frank Weber; Oliver Schmitt; Gotthelf Wolmershäuser; Helmut Sitzmann","Cation size dependent reactivity of lanthanide trihalides with bulky alkylcyclopentadienyl anions","New Journal of Chemistry","2007","31","2","305","","10.1039/b603701a","","","0.71073","MoKα","","0.0569","0.0367","","","0.0702","0.0745","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052047","16.33","0.06","11.47","0.07","21.45","0.06","90","","103.8","0.2","90","","3902","3","298","2","298","2","","","","","","","Synthesis","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Mo8 N4 O26 -","- C24 H28 Mo8 N4 O26 -","- C96 H112 Mo32 N16 O104 -","4","0.5","","Reinaldo Atencio; Alexander Briceño; Pedro Silva; José A. Rodríguez; Jonathan C. Hanson","Sequential transformations in assemblies based on octamolybdate clusters and 1,2-bis(4-pyridyl)ethane","New Journal of Chemistry","2007","31","1","33","","10.1039/b603996k","","","0.71073","MoKα","","0.0617","0.0452","","","0.1153","0.128","","","","","","1.138","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052048","10.716","0.002","11.128","0.002","11.666","0.002","68.08","0.03","85.5","0.03","76.19","0.03","1253.2","0.5","298","2","298","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C18 H20 Mo4 N3 O13 -","- C18 H20 Mo4 N3 O13 -","- C36 H40 Mo8 N6 O26 -","2","1","","Reinaldo Atencio; Alexander Briceño; Pedro Silva; José A. Rodríguez; Jonathan C. Hanson","Sequential transformations in assemblies based on octamolybdate clusters and 1,2-bis(4-pyridyl)ethane","New Journal of Chemistry","2007","31","1","33","","10.1039/b603996k","","","0.71073","MoKα","","0.0444","0.0351","","","0.0867","0.0918","","","","","","1.042","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052049","11.581","0.003","17.146","0.007","12.875","0.003","90","","101.447","0.016","90","","2505.7","1.4","298","2","298","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Mo8 N6 O26 -","- C36 H40 Mo8 N6 O26 -","- C72 H80 Mo16 N12 O52 -","2","0.5","","Reinaldo Atencio; Alexander Briceño; Pedro Silva; José A. Rodríguez; Jonathan C. Hanson","Sequential transformations in assemblies based on octamolybdate clusters and 1,2-bis(4-pyridyl)ethane","New Journal of Chemistry","2007","31","1","33","","10.1039/b603996k","","","0.71073","MoKα","","0.082","0.0426","","","0.088","0.103","","","","","","1.041","","","","has coordinates,has disorder","180074","2020-10-21","18:00:00",""
"7052050","9.6894","0.0017","13.447","0.003","15.341","0.002","90","","100.614","0.013","90","","1964.6","0.6","273","2","273","2","","","","","","","Synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Mo4 N2 O13 -","- C12 H14 Mo4 N2 O13 -","- C48 H56 Mo16 N8 O52 -","4","1","","Reinaldo Atencio; Alexander Briceño; Pedro Silva; José A. Rodríguez; Jonathan C. Hanson","Sequential transformations in assemblies based on octamolybdate clusters and 1,2-bis(4-pyridyl)ethane","New Journal of Chemistry","2007","31","1","33","","10.1039/b603996k","","","0.71073","MoKα","","0.051","0.0382","","","0.0939","0.1009","","","","","","1.067","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052051","9.432","0.001","27.584","0.002","9.901","0.001","90","","114.26","0.01","90","","2348.5","0.4","208","2","208","2","","","","","","","","3","C 1 c 1","C -2yc","9","Cryptant-S6-Me2","Cryptant-S6-Me2","","- C19 H36 S6 -","- C19 H36 S6 -","- C76 H144 S24 -","4","1","","Alberto, Roger; Angst, Daniela; Ortner, Kirstin; Abram, Ulrich; Schubiger, P. August; Kaden, Thomas A.","Syntheses of a series of S6 thioether cages and their coordination chemistry with Ag+","New Journal of Chemistry","2007","31","3","409","","10.1039/b606510b","","","1.54184","CuKα","","0.0957","0.0754","","","0.1989","0.2235","","","","","","0.931","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052052","10.396","0.001","15.421","0.002","18.421","0.005","90","","90","","90","","2953.2","0.9","208","2","208","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","S6-Ethylenecagesilver(i) trifluoromethylsulfonate","S6-Ethylenecagesilver(I) trifluoromethylsulfonate","","- C21 H38 Ag F3 O3 S7 -","- C21 H38 Ag F3 O3 S7 -","- C84 H152 Ag4 F12 O12 S28 -","4","1","","Alberto, Roger; Angst, Daniela; Ortner, Kirstin; Abram, Ulrich; Schubiger, P. August; Kaden, Thomas A.","Syntheses of a series of S6 thioether cages and their coordination chemistry with Ag+","New Journal of Chemistry","2007","31","3","409","","10.1039/b606510b","","","0.71073","MoKα","","0.141","0.0675","","","0.1353","0.1668","","","","","","1.029","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052053","21.614","0.008","13.491","0.002","18.364","0.008","90","","109.7","0.02","90","","5041","3","208","2","208","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ag2(3-S6-cage-3-NO2)(triflat)2] x 2 AN","","","- C35 H60 Ag2 F6 N4 O10 S8 -","- C35 H60 Ag2 F6 N4 O10 S8 -","- C140 H240 Ag8 F24 N16 O40 S32 -","4","0.5","","Alberto, Roger; Angst, Daniela; Ortner, Kirstin; Abram, Ulrich; Schubiger, P. August; Kaden, Thomas A.","Syntheses of a series of S6 thioether cages and their coordination chemistry with Ag+","New Journal of Chemistry","2007","31","3","409","","10.1039/b606510b","","","0.71073","MoKα","","0.1007","0.0476","","","0.1055","0.1235","","","","","","1.005","","","","has coordinates,has disorder","180074","2020-10-21","18:00:00",""
"7052054","18.186","0.004","26.587","0.004","10.255","0.002","90","","101.16","0.01","90","","4864.6","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-S6-Hydroxy cage","","- C19 H36 O S6 -","- C19 H36 O S6 -","- C152 H288 O8 S48 -","8","2","","Alberto, Roger; Angst, Daniela; Ortner, Kirstin; Abram, Ulrich; Schubiger, P. August; Kaden, Thomas A.","Syntheses of a series of S6 thioether cages and their coordination chemistry with Ag+","New Journal of Chemistry","2007","31","3","409","","10.1039/b606510b","","","1.54184","CuKα","","0.0899","0.0552","","","0.1378","0.1604","","","","","","0.997","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052055","10.707","0.004","17.737","0.004","19.081","0.008","90","","103.61","0.02","90","","3522","2","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(S6-Cage-C4-OH-CH3)(tosylato)silver(I)] polymer","","- C29 H49 Ag O4 S7 -","- C29 H49 Ag O4 S7 -","- C116 H196 Ag4 O16 S28 -","4","1","","Alberto, Roger; Angst, Daniela; Ortner, Kirstin; Abram, Ulrich; Schubiger, P. August; Kaden, Thomas A.","Syntheses of a series of S6 thioether cages and their coordination chemistry with Ag+","New Journal of Chemistry","2007","31","3","409","","10.1039/b606510b","","","0.71073","MoKα","","0.3303","0.0776","","","0.0755","0.1173","","","","","","0.956","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052056","19.785","0.001","11.7253","0.0004","19.6134","0.0007","90","","90","","90","","4550","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C38 H78 N4 O7 Ti2 -","- C38 H78 N4 O7 Ti2 -","- C152 H312 N16 O28 Ti8 -","4","1","","Day, Joanna K.; Baghurst, Rebecca E.; Strevens, Robert R.; Light, Mark E.; Hursthouse, Michael B.; Stengel, Bruno F.; Fallis, Ian A.; Aldridge, Simon","Influence of ligand backbone flexibility in group 4 metal complexes of tetradentate mixed tertiary amine/alkoxide ligands","New Journal of Chemistry","2007","31","1","135","","10.1039/b608680b","","","0.71073","MoKα","","0.1033","0.0607","","","0.1248","0.141","","","","","","1.008","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7052057","10.762","0.002","12.115","0.002","15.963","0.003","76.68","0.03","72.59","0.03","68.58","0.03","1831.5","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H68 N4 O4 Zr -","- C32 H68 N4 O4 Zr -","- C64 H136 N8 O8 Zr2 -","2","1","","Day, Joanna K.; Baghurst, Rebecca E.; Strevens, Robert R.; Light, Mark E.; Hursthouse, Michael B.; Stengel, Bruno F.; Fallis, Ian A.; Aldridge, Simon","Influence of ligand backbone flexibility in group 4 metal complexes of tetradentate mixed tertiary amine/alkoxide ligands","New Journal of Chemistry","2007","31","1","135","","10.1039/b608680b","","","0.71073","MoKα","","0.0458","0.0373","","","0.0851","0.0886","","","","","","1.032","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7052058","11.019","0.0005","14.3144","0.0006","15.7604","0.0008","70.24","0.003","88.145","0.002","71.787","0.002","2214.83","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H76 N2 O8 Ti2 -","- C35 H76 N2 O8 Ti2 -","- C70 H152 N4 O16 Ti4 -","2","1","","Day, Joanna K.; Baghurst, Rebecca E.; Strevens, Robert R.; Light, Mark E.; Hursthouse, Michael B.; Stengel, Bruno F.; Fallis, Ian A.; Aldridge, Simon","Influence of ligand backbone flexibility in group 4 metal complexes of tetradentate mixed tertiary amine/alkoxide ligands","New Journal of Chemistry","2007","31","1","135","","10.1039/b608680b","","","0.71073","MoKα","","0.1451","0.0684","","","0.1524","0.1758","","","","","","1.002","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052059","8.83","0.005","9.726","0.005","17.047","0.005","93.801","0.005","98.098","0.005","112.844","0.005","1323.9","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H48 N2 O4 Ti -","- C22 H48 N2 O4 Ti -","- C44 H96 N4 O8 Ti2 -","2","1","","Day, Joanna K.; Baghurst, Rebecca E.; Strevens, Robert R.; Light, Mark E.; Hursthouse, Michael B.; Stengel, Bruno F.; Fallis, Ian A.; Aldridge, Simon","Influence of ligand backbone flexibility in group 4 metal complexes of tetradentate mixed tertiary amine/alkoxide ligands","New Journal of Chemistry","2007","31","1","135","","10.1039/b608680b","","","0.71069","MoKα","","0.0538","0.0416","","","0.0881","0.0932","","","","","","1.03","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052060","15.2741","0.0008","23.8114","0.0011","21.7021","0.0014","90","","91.297","0.002","90","","7891","0.8","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H107.5 Cl0.5 N O32 -","- C76 H107.5 Cl0.5 N O32 -","- C304 H430 Cl2 N4 O128 -","4","1","","Antti Åhman; Minna Luostarinen; Kari Rissanen; Maija Nissinen","Complexation of C-methyl pyrogallarene with small quaternary and tertiary alkyl ammonium cations","New Journal of Chemistry","2007","31","1","169","","10.1039/b609117b","","","0.71073","MoKα","","0.2813","0.1489","","","0.2742","0.3258","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052061","13.9176","0.0007","15.1093","0.0009","18.6526","0.001","90","","109.008","0.003","90","","3708.5","0.4","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 Cl N O14 -","- C37 H50 Cl N O14 -","- C148 H200 Cl4 N4 O56 -","4","1","","Antti Åhman; Minna Luostarinen; Kari Rissanen; Maija Nissinen","Complexation of C-methyl pyrogallarene with small quaternary and tertiary alkyl ammonium cations","New Journal of Chemistry","2007","31","1","169","","10.1039/b609117b","","","0.71073","MoKα","","0.1739","0.0837","","","0.1243","0.1549","","","","","","1.095","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052062","21.2275","0.0011","25.3429","0.0013","17.9561","0.0005","90","","122.883","0.002","90","","8112.1","0.7","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H58 Cl N O14 -","- C41 H58 Cl N O14 -","- C328 H464 Cl8 N8 O112 -","8","1","","Antti Åhman; Minna Luostarinen; Kari Rissanen; Maija Nissinen","Complexation of C-methyl pyrogallarene with small quaternary and tertiary alkyl ammonium cations","New Journal of Chemistry","2007","31","1","169","","10.1039/b609117b","","","0.71073","MoKα","","0.153","0.1021","","","0.2296","0.2541","","","","","","1.111","","","","has coordinates,has disorder","180074","2020-10-21","18:00:00",""
"7052063","28.6719","0.0006","14.5214","0.0005","20.4197","0.0006","90","","131.685","0.002","90","","6349.3","0.4","173","0.1","173","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C70 H82 O27 -","- C70 H82 O27 -","- C280 H328 O108 -","4","0.5","","Antti Åhman; Minna Luostarinen; Kari Rissanen; Maija Nissinen","Complexation of C-methyl pyrogallarene with small quaternary and tertiary alkyl ammonium cations","New Journal of Chemistry","2007","31","1","169","","10.1039/b609117b","","","0.71073","MoKα","","0.1509","0.0942","","","0.2198","0.2677","","","","","","1.111","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052064","33.824","0.008","10.759","0.003","23.446","0.006","90","","100.613","0.004","90","","8386","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.5 H33.5 Br2 Cl10.5 N4 Ni -","- C32.5 H33 Br2 Cl9.75 N4 Ni -","- C260 H264 Br16 Cl78 N32 Ni8 -","8","1","","Yohan D. M. Champouret; Jean-Didier Maréchal; Rajinder K. Chaggar; John Fawcett; Kuldip Singh; Feliu Maseras; Gregory A. Solan","Factors affecting imine coordination in (iminoterpyridine)MX2 (M = Fe, Co, Ni, Zn): synthesis, structures, DFT calculations and ethylene oligomerisation studies","New Journal of Chemistry","2007","31","1","75","","10.1039/b610562a","","","0.71073","MoKα","","0.2232","0.1088","","","0.2653","0.325","","","","","","0.893","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7052065","10.3842","0.0007","16.8912","0.0011","17.4972","0.0012","90","","96.166","0.001","90","","3051.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl5 N4 Zn -","- C29 H29 Cl5 N4 Zn -","- C116 H116 Cl20 N16 Zn4 -","4","1","","Yohan D. M. Champouret; Jean-Didier Maréchal; Rajinder K. Chaggar; John Fawcett; Kuldip Singh; Feliu Maseras; Gregory A. Solan","Factors affecting imine coordination in (iminoterpyridine)MX2 (M = Fe, Co, Ni, Zn): synthesis, structures, DFT calculations and ethylene oligomerisation studies","New Journal of Chemistry","2007","31","1","75","","10.1039/b610562a","","","0.71073","MoKα","","0.0471","0.0367","","","0.0884","0.0919","","","","","","0.974","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7052066","10.0666","0.0012","17.26","0.002","16.987","0.002","90","","96.542","0.002","90","","2932.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl2 Fe N5 -","- C30 H31 Cl2 Fe N5 -","- C120 H124 Cl8 Fe4 N20 -","4","1","","Yohan D. M. Champouret; Jean-Didier Maréchal; Rajinder K. Chaggar; John Fawcett; Kuldip Singh; Feliu Maseras; Gregory A. Solan","Factors affecting imine coordination in (iminoterpyridine)MX2 (M = Fe, Co, Ni, Zn): synthesis, structures, DFT calculations and ethylene oligomerisation studies","New Journal of Chemistry","2007","31","1","75","","10.1039/b610562a","","","0.71073","MoKα","","0.0497","0.0408","","","0.1039","0.1089","","","","","","1.045","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7052067","10.089","0.003","17.124","0.005","16.991","0.005","90","","96.459","0.005","90","","2916.8","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl2 Co N5 -","- C30 H31 Cl2 Co N5 -","- C120 H124 Cl8 Co4 N20 -","4","1","","Yohan D. M. Champouret; Jean-Didier Maréchal; Rajinder K. Chaggar; John Fawcett; Kuldip Singh; Feliu Maseras; Gregory A. Solan","Factors affecting imine coordination in (iminoterpyridine)MX2 (M = Fe, Co, Ni, Zn): synthesis, structures, DFT calculations and ethylene oligomerisation studies","New Journal of Chemistry","2007","31","1","75","","10.1039/b610562a","","","0.71073","MoKα","","0.0409","0.0336","","","0.092","0.0947","","","","","","1.036","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7052068","10.2739","0.0019","10.5553","0.0019","12.623","0.002","94.301","0.003","101.922","0.003","96.325","0.003","1324.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl2 N4 Zn -","- C29 H30 Cl2 N4 Zn -","- C58 H60 Cl4 N8 Zn2 -","2","1","","Yohan D. M. Champouret; Jean-Didier Maréchal; Rajinder K. Chaggar; John Fawcett; Kuldip Singh; Feliu Maseras; Gregory A. Solan","Factors affecting imine coordination in (iminoterpyridine)MX2 (M = Fe, Co, Ni, Zn): synthesis, structures, DFT calculations and ethylene oligomerisation studies","New Journal of Chemistry","2007","31","1","75","","10.1039/b610562a","","","0.71073","MoKα","","0.0567","0.044","","","0.1004","0.1055","","","","","","1.003","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7052069","16.936","0.003","15.203","0.003","21.457","0.004","90","","90","","90","","5524.7","1.8","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C52 H58 Cl2 Fe4 N8 O18 -","- C52 H58 Cl2 Fe4 N8 O18 -","- C208 H232 Cl8 Fe16 N32 O72 -","4","0.5","","Sujit K. Dutta; Meenakshi Ghosh; Papu Biswas; Ulrich Flörke; Cristoph Saal; Wolfgang Haase; Kamalaksha Nag","Formation of oxo-bridged tetrairon(iii) complexes mediated by oxygen activation. Structure, spectroscopy, magnetism and electrochemistry","New Journal of Chemistry","2007","31","1","93","","10.1039/b610649h","","","0.71073","MoKα","","0.2755","0.0583","","","0.0876","0.1355","","","","","","0.733","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052070","21.958","0.004","15.182","0.003","19.591","0.004","90","","91.61","0.02","90","","6528","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H62 Cl2 Fe4 N8 O18 -","- C62 H62 Cl2 Fe4 N8 O18 -","- C248 H248 Cl8 Fe16 N32 O72 -","4","0.5","","Sujit K. Dutta; Meenakshi Ghosh; Papu Biswas; Ulrich Flörke; Cristoph Saal; Wolfgang Haase; Kamalaksha Nag","Formation of oxo-bridged tetrairon(iii) complexes mediated by oxygen activation. Structure, spectroscopy, magnetism and electrochemistry","New Journal of Chemistry","2007","31","1","93","","10.1039/b610649h","","","0.71073","MoKα","","0.1307","0.0597","","","0.1212","0.1511","","","","","","1.012","","","","has coordinates,has disorder","301851","2025-08-21","20:32:39",""
"7052071","7.8781","0.0002","12.7652","0.0003","12.8795","0.0003","91.972","0.005","102.869","0.005","92.2","0.005","1260.54","0.06","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H32 O5 -","- C31 H32 O5 -","- C62 H64 O10 -","2","1","","Sergio Andrés Pérez Guarìn; Derek Tsang; W. G. Skene","Spectroscopic studies of a fluorescent fluoresceinophane formed via a practical synthetic route","New Journal of Chemistry","2007","31","2","210","","10.1039/b611060f","","","0.71073","Mo-Kα","","0.12","0.047","","0.232","","0.064","","","3.963","","","1.083","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052072","7.2136","0.0009","7.6191","0.0008","8.101","0.0011","102.96","0.01","106.797","0.01","111.387","0.009","368.76","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3-Fluoro-2-formyl-phenylboronic acid","3-Fluoro-2-formyl-phenylboronic acid","","- C7 H6 B F O3 -","- C7 H6 B F O3 -","- C14 H12 B2 F2 O6 -","2","1","","Sergiusz Luliński; Izabela Madura; Janusz Serwatowski; Halina Szatyłowicz; Janusz Zachara","A tautomeric equilibrium between functionalized 2-formylphenylboronic acids and corresponding 1,3-dihydro-1,3-dihydroxybenzo[c][2,1]oxaboroles","New Journal of Chemistry","2007","31","1","144","","10.1039/b611195e","","","0.71073","MoKα","","0.037","0.0327","","","0.0874","0.0907","","","","","","1.066","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052073","7.0559","0.0016","8.3747","0.0018","9.656","0.002","89.986","0.017","99.607","0.018","108.329","0.017","533.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3,5-Dibromo-2-formyl-phenylboronic acid monohydrate","3,5-Dibromo-2-formyl-phenylboronic acid monohydrate","","- C7 H7 B Br2 O4 -","- C7 H7 B Br2 O4 -","- C14 H14 B2 Br4 O8 -","2","1","","Sergiusz Luliński; Izabela Madura; Janusz Serwatowski; Halina Szatyłowicz; Janusz Zachara","A tautomeric equilibrium between functionalized 2-formylphenylboronic acids and corresponding 1,3-dihydro-1,3-dihydroxybenzo[c][2,1]oxaboroles","New Journal of Chemistry","2007","31","1","144","","10.1039/b611195e","","","0.71073","MoKα","","0.0327","0.0253","","","0.0622","0.0652","","","","","","1.05","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052074","11.159","0.003","11.116","0.002","29.383","0.007","90","","94.473","0.018","90","","3633.7","1.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1,3-Dihydro-1,3-dihydroxy-4-bromo-2,1-benzoxaborole monohydrate","","- C7 H8 B Br O4 -","- C7 H6 B Br O4 -","- C112 H96 B16 Br16 O64 -","16","4","","Sergiusz Luliński; Izabela Madura; Janusz Serwatowski; Halina Szatyłowicz; Janusz Zachara","A tautomeric equilibrium between functionalized 2-formylphenylboronic acids and corresponding 1,3-dihydro-1,3-dihydroxybenzo[c][2,1]oxaboroles","New Journal of Chemistry","2007","31","1","144","","10.1039/b611195e","","","0.71073","MoKα","","0.0809","0.0593","","","0.1481","0.1617","","","","","","1.04","","","","has coordinates,has disorder","180074","2020-10-21","18:00:00",""
"7052075","7.0108","0.0002","11.0338","0.0003","16.912","0.0004","93.637","0.001","95.736","0.001","95.729","0.001","1291.62","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Ag F6 N3 O3 Sb -","- C24 H18 Ag F6 N3 O3 Sb -","- C48 H36 Ag2 F12 N6 O6 Sb2 -","2","1","","Bourlier, Julien; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: generation of 1-D interdigitated and 2-D interwoven helical silver coordination networks by oligoethylene glycol based tectons bearing two benzonitrile moieties","New Journal of Chemistry","2007","31","1","25","","10.1039/b611415f","","","0.71073","MoKα","","0.0286","0.022","","","0.0542","0.057","","","","","","1.041","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052076","9.123","0.0006","11.624","0.0006","12.477","0.0009","62.419","0.002","83.793","0.002","83.386","0.005","1162.71","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Ag As F6 N2 O4 -","- C20 H12 Ag As F6 N2 O4 -","- C40 H24 Ag2 As2 F12 N4 O8 -","2","1","","Bourlier, Julien; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: generation of 1-D interdigitated and 2-D interwoven helical silver coordination networks by oligoethylene glycol based tectons bearing two benzonitrile moieties","New Journal of Chemistry","2007","31","1","25","","10.1039/b611415f","","","0.71073","MoKα","","0.1316","0.0658","","","0.1597","0.1903","","","","","","1.054","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052077","11.768","0.0002","25.757","0.0006","8.587","0.0004","90","","96.92","0.0009","90","","2583.83","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Ag As F6 N2 O5 -","- C22 H24 Ag As F6 N2 O5 -","- C88 H96 Ag4 As4 F24 N8 O20 -","4","1","","Bourlier, Julien; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: generation of 1-D interdigitated and 2-D interwoven helical silver coordination networks by oligoethylene glycol based tectons bearing two benzonitrile moieties","New Journal of Chemistry","2007","31","1","25","","10.1039/b611415f","","","0.71073","MoKα","","0.1806","0.0508","","","0.0709","0.092","","","","","","0.975","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052078","11.964","0.0001","25.717","0.0004","8.632","0.0002","90","","97.078","0.0006","90","","2635.64","0.08","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Ag F6 N2 O5 Sb -","- C22 H24 Ag F6 N2 O5 Sb -","- C88 H96 Ag4 F24 N8 O20 Sb4 -","4","1","","Bourlier, Julien; Hosseini, Mir Wais; Planeix, Jean-Marc; Kyritsakas, Nathalie","Molecular tectonics: generation of 1-D interdigitated and 2-D interwoven helical silver coordination networks by oligoethylene glycol based tectons bearing two benzonitrile moieties","New Journal of Chemistry","2007","31","1","25","","10.1039/b611415f","","","0.71073","MoKα","","0.0874","0.0464","","","0.1151","0.1321","","","","","","1.035","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052079","6.6026","0.0001","12.932","0.0002","15.1197","0.0003","90","","102.109","0.0009","90","","1262.27","0.04","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.71073","MoKα","","0.0491","0.0421","","","0.1146","0.1211","","","","","","1.07","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052080","10.2904","0.0002","8.7167","0.0002","14.0155","0.0003","90","","100.932","0.0009","90","","1234.36","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C48 H56 N16 O12 -","4","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.71073","MoKα","","0.0466","0.0396","","","0.1107","0.1169","","","","","","1.078","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052081","6.9786","0.0002","14.2655","0.0005","13.2947","0.0006","90","","101.364","0.001","90","","1297.58","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.71073","MoKα","","0.0625","0.0454","","","0.1151","0.1256","","","","","","1.028","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052082","8.1028","0.0002","10.4312","0.0002","10.4731","0.0002","67.932","0.001","76.578","0.001","71.72","0.001","772.36","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C36 H38 N6 O2 -","2","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.71073","MoKα","","0.0555","0.0432","","","0.1144","0.1242","","","","","","1.052","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052083","7.7167","0.0001","10.8913","0.0001","18.8973","0.0003","90","","90","","90","","1588.22","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.7107","MoKα","","0.0421","0.0368","","","0.0894","0.0932","","","","","","1.022","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052084","8.0995","0.0001","9.5542","0.0002","20.4491","0.0004","90","","98.2804","0.0008","90","","1565.94","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N4 O3 -","- C17 H16 N4 O3 -","- C68 H64 N16 O12 -","4","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.7107","MoKα","","0.0747","0.0493","","","0.1141","0.1316","","","","","","1.037","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052085","13.6403","0.0002","9.6489","0.0002","24.3685","0.0005","90","","90","","90","","3207.23","0.1","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C144 H152 N24 O16 -","8","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.71073","MoKα","","0.0533","0.0391","","","0.0952","0.1026","","","","","","1.038","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052086","8.6915","0.0002","17.1912","0.0004","13.2188","0.0003","90","","101.066","0.001","90","","1938.39","0.08","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C84 H100 N12 O4 -","4","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.71073","MoKα","","0.0674","0.0519","","","0.1335","0.1487","","","","","","1.014","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052087","8.5205","0.0002","12.6244","0.0003","18.1441","0.0004","90","","90","","90","","1951.69","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C84 H100 N12 O4 -","4","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.71073","MoKα","","0.0605","0.044","","","0.1106","0.1213","","","","","","1.019","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052088","8.3729","0.0006","14.6999","0.001","9.1764","0.0006","90","","98.917","0.002","90","","1115.79","0.13","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O2 -","- C12 H10 N4 O2 -","- C48 H40 N16 O8 -","4","1","","Tzeng, Biing-Chiau; Chen, Yen-Fei; Wu, Chia-Chin; Hu, Cho-Chun; Chang, Ya-Ting; Chen, Chang-Kai","Anion-recognition studies of a Re(i)-based square containing the dipyridyl-amide ligand","New Journal of Chemistry","2007","31","2","202","","10.1039/b613508k","","","0.71073","MoKα","","0.0618","0.0487","","","0.1121","0.1193","","","","","","1.068","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052089","6.2667","0.0009","8.5979","0.0012","19.959","0.003","83.907","0.002","89.471","0.002","77.551","0.002","1044.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H26 O2 -","- C27 H26 O2 -","- C54 H52 O4 -","2","1","","Han, Jie; Li, Yan-Xia; Pang, Mei-Li; Cheng, Kai-Ge; Wang, Yan-Mei; Ma, Yu-Xin; Meng, Ji-Ben","A novel photochromic liquid crystal system based on biindenylidenedione derivatives","New Journal of Chemistry","2007","31","4","543","","10.1039/b613549h","","","0.71073","MoKα","","0.1149","0.0529","","","0.1342","0.1626","","","","","","1.019","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052090","32.142","0.006","6.2276","0.0012","11.413","0.002","90","","101.7","0.03","90","","2237","0.8","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H26 O3 -","- C29 H26 O3 -","- C116 H104 O12 -","4","1","","Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P.","?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions","New Journal of Chemistry","2007","31","1","127","","10.1039/b613669a","","","0.71073","MoKα","","0.1474","0.0876","","","0.1387","0.1579","","","","","","1.068","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052091","6.001","0.0012","18.79","0.004","20.595","0.004","90","","90","","90","","2322.3","0.8","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O3 -","- C30 H28 O3 -","- C120 H112 O12 -","4","1","","Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P.","?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions","New Journal of Chemistry","2007","31","1","127","","10.1039/b613669a","","","0.71073","MoKα","","0.0698","0.05","","","0.0901","0.096","","","","","","1.086","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052092","20.793","0.004","6.122","0.0012","20.961","0.004","90","","114.24","0.03","90","","2433","1","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 O3 -","- C31 H30 O3 -","- C124 H120 O12 -","4","1","","Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P.","?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions","New Journal of Chemistry","2007","31","1","127","","10.1039/b613669a","","","0.71073","MoKα","","0.1077","0.0554","","","0.1081","0.1247","","","","","","1.014","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052093","5.7983","0.0012","9.0444","0.0018","15.82","0.003","94.69","0.03","100","0.03","106.81","0.03","774.4","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O -","- C21 H18 O -","- C42 H36 O2 -","2","1","","Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P.","?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions","New Journal of Chemistry","2007","31","1","127","","10.1039/b613669a","","","0.71073","MoKα","","0.0907","0.0594","","","0.128","0.1413","","","","","","1.068","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052094","9.0898","0.0018","19.066","0.004","20.516","0.004","90","","95.84","0.03","90","","3537.1","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Ga3 I5 O4 -","- C28 H20 Ga3 I5 O4 -","- C112 H80 Ga12 I20 O16 -","4","1","","Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P.","?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions","New Journal of Chemistry","2007","31","1","127","","10.1039/b613669a","","","0.71073","MoKα","","0.0607","0.0399","","","0.0878","0.0955","","","","","","1.049","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052095","7.4458","0.0015","18.197","0.004","12.271","0.003","90","","94.13","0.03","90","","1658.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Ga I3 O2 -","- C11 H12 Ga I3 O2 -","- C44 H48 Ga4 I12 O8 -","4","1","","Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P.","?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions","New Journal of Chemistry","2007","31","1","127","","10.1039/b613669a","","","0.71073","MoKα","","0.0852","0.0533","","","0.1217","0.1356","","","","","","1.021","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052096","12.2707","0.0013","13.5989","0.0015","15.4906","0.0017","71.1","0.002","73.3","0.002","72.169","0.002","2276.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H46 N6 O6 -","- C56 H46 N6 O6 -","- C112 H92 N12 O12 -","2","1","","Anas, S.; Krishnan, K. Syam; Sajisha, V. Sanjayan; Anju, K. Sasidharan; Radhakrishnan, K. V.; Suresh, Eringathodi; Suresh, Cherumuttathu H.","Interplay of dual reactivity in the reaction of pentafulvenes with 1,2,4-triazoline-3,5-diones: experimental and theoretical investigations","New Journal of Chemistry","2007","31","2","237","","10.1039/b614533g","","","0.71073","MoKα","","0.1444","0.0738","","","0.1924","0.235","","","","","","1.025","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052097","9.75","0.002","10.216","0.002","11.647","0.002","64.72","0.03","84.92","0.03","76.29","0.03","1019","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 La2 O30 S8 -","- C24 H30 La2 O30 S8 -","- C24 H30 La2 O30 S8 -","1","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.038","0.029","","0.035","","0.033","","","1.013","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052098","7.6971","0.0015","34.283","0.007","8.5201","0.0017","90","","111.43","0.03","90","","2092.8","0.8","123","","123","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 Ho2 O34 S6 -","- C18 H44 Ho2 O34 S6 -","- C36 H88 Ho4 O68 S12 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.031","0.023","","0.15","","0.035","","","1.451","","","1.056","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052099","7.6711","0.0005","34.174","0.002","8.5082","0.0005","90","","111.555","0.001","90","","2074.5","0.2","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 O34 S6 Yb2 -","- C18 H44 O34 S6 Yb2 -","- C36 H88 O68 S12 Yb4 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.038","0.036","","0.065","","0.065","","","0.987","","","1.009","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052100","7.256","0.0005","12.7526","0.0008","19.514","0.001","90","","90","","90","","1805.69","0.19","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 Cl La O14 S2 -","- C6 H20 Cl La O14 S2 -","- C24 H80 Cl4 La4 O56 S8 -","4","1","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.024","0.023","","0.03","","0.03","","","1.304","","","1.306","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052101","8.6666","0.0005","14.2258","0.0006","19.4202","0.0007","103.476","0.001","98.679","0.001","100.967","0.001","2237.55","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H48.5 O36.25 S6 Sm2 -","- C18 H38 O36.25 S6 Sm2 -","- C36 H76 O72.5 S12 Sm4 -","2","1","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.037","0.025","","0.037","","0.035","","","1.152","","","1.229","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052102","7.7426","0.0005","34.467","0.003","8.5532","0.0005","90","","111.174","0.001","90","","2128.4","0.3","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 Eu2 O34 S6 -","- C18 H44 Eu2 O34 S6 -","- C36 H88 Eu4 O68 S12 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.042","0.03","","0.103","","0.06","","","1.777","","","1.092","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052103","7.7246","0.0004","34.366","0.002","8.5388","0.0004","90","","111.327","0.001","90","","2111.51","0.19","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 O34 S6 Tb2 -","- C18 H44 O34 S6 Tb2 -","- C36 H88 O68 S12 Tb4 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.044","0.035","","0.054","","0.051","","","1.236","","","1.249","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052104","7.6984","0.0004","34.311","0.002","8.5293","0.0005","90","","111.463","0.001","90","","2096.7","0.2","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 O34 S6 Y2 -","- C18 H44 O34 S6 Y2 -","- C36 H88 O68 S12 Y4 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.052","0.039","","0.052","","0.05","","","1.203","","","1.249","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052105","7.664","0.0007","34.161","0.003","8.5009","0.0008","90","","111.641","0.001","90","","2068.7","0.3","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H44 Lu2 O34 S6 -","- C18 H44 Lu2 O34 S6 -","- C36 H88 Lu4 O68 S12 -","2","0.5","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.025","0.025","","0.023","","0.023","","","1.298","","","1.353","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052106","6.491","0.001","18.388","0.004","7.23","0.001","90","","112.18","0.03","90","","799.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium hydrogen succinate","Guanidinium hydrogen butanedicarboxylate'","","- C5 H11 N3 O4 -","- C5 H11 N3 O4 -","- C20 H44 N12 O16 -","4","1","","Veneta Videnova-Adrabinska; Elżbieta Obara; Tadeusz Lis","Two-dimensional hydrogen-bonded networks in guanidinium hydrogen dicarboxylates","New Journal of Chemistry","2007","31","2","287","","10.1039/b614843c","","","0.71073","MoKα","","0.0669","0.06","","","0.1716","0.1796","","","","","","1.075","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052107","3.696","0.003","18.824","0.005","5.496","0.002","90","","94.76","0.04","90","","381.1","0.4","297","","297","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","guanidinium hydrogen fumarate","guanidinium hydrogen E-butenedicarboxylate","","- C5 H9 N3 O4 -","- C5 H9 N3 O4 -","- C10 H18 N6 O8 -","2","0.5","","Veneta Videnova-Adrabinska; Elżbieta Obara; Tadeusz Lis","Two-dimensional hydrogen-bonded networks in guanidinium hydrogen dicarboxylates","New Journal of Chemistry","2007","31","2","287","","10.1039/b614843c","","","0.71073","MoKα","","","0.053","","","","0.067","","","","","","2.17","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052108","5.284","0.002","8.501","0.003","10.466","0.004","69.1","0.03","77.91","0.03","89.42","0.03","428.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","guanidinium hydrogen adipate","Guanidinium hydrogen pentanedicarboxylate","","- C6 H13 N3 O4 -","- C6 H13 N3 O4 -","- C12 H26 N6 O8 -","2","1","","Veneta Videnova-Adrabinska; Elżbieta Obara; Tadeusz Lis","Two-dimensional hydrogen-bonded networks in guanidinium hydrogen dicarboxylates","New Journal of Chemistry","2007","31","2","287","","10.1039/b614843c","","","0.71073","MoKα","","0.0346","0.0305","","","0.0783","0.0809","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052109","10.602","0.0003","10.9717","0.0003","12.6859","0.0004","90","","99.022","0.002","90","","1457.39","0.07","120","0.2","120","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov","4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals","New Journal of Chemistry","2007","31","6","980","","10.1039/b615056j","","","0.71073","MoKα","","0.0538","0.0434","","","0.1209","0.1262","","","","","","1.043","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052110","10.702","0.0007","10.9624","0.0007","12.5151","0.0008","90","","98.443","0.003","90","","1452.35","0.16","120","0.2","120","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N2 O4 -","- C38 H34 N2 O4 -","- C76 H68 N4 O8 -","2","0.5","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov","4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals","New Journal of Chemistry","2007","31","6","980","","10.1039/b615056j","","","0.71073","MoKα","","0.0864","0.0648","","","0.1466","0.1558","","","","","","1.07","","","","has coordinates,has disorder","180075","2020-10-21","18:00:00",""
"7052111","7.034","0.0005","21.0718","0.0014","14.6964","0.001","90","","94.305","0.001","90","","2172.1","0.3","120","0.2","120","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N O6 -","- C24 H25 Cl N O6 -","- C96 H100 Cl4 N4 O24 -","4","1","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov","4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals","New Journal of Chemistry","2007","31","6","980","","10.1039/b615056j","","","0.71073","MoKα","","0.0662","0.0443","","","0.122","0.1311","","","","","","0.983","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052112","14.135","0.004","7.983","0.002","25.02","0.007","90","","100.855","0.01","90","","2772.7","1.3","120","0.2","120","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl2 N O7 -","- C28 H34 Cl2 N O7 -","- C112 H136 Cl8 N4 O28 -","4","1","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov","4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals","New Journal of Chemistry","2007","31","6","980","","10.1039/b615056j","","","0.71073","MoKα","","0.339","0.1576","","","0.4168","0.4553","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052113","10.9855","0.0012","10.8828","0.0012","12.212","0.0013","90","","98.282","0.005","90","","1444.8","0.3","120","0.2","120","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N2 O4 -","- C38 H34 N2 O4 -","- C76 H68 N4 O8 -","2","0.5","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov","4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals","New Journal of Chemistry","2007","31","6","980","","10.1039/b615056j","","","0.71073","MoKα","","0.1123","0.069","","","0.1333","0.1472","","","","","","1.054","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052114","11.4976","0.0005","12.2916","0.0006","13.5348","0.0006","93.589","0.002","110.545","0.002","92.542","0.002","1783.11","0.14","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Cl2 N2 O12 -","- C38 H36 Cl2 N2 O12 -","- C76 H72 Cl4 N4 O24 -","2","1","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov","4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals","New Journal of Chemistry","2007","31","6","980","","10.1039/b615056j","","","0.71073","MoKα","","0.1263","0.0614","","","0.135","0.1547","","","","","","0.938","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052115","7.7053","0.0009","20.304","0.002","14.3081","0.0015","90","","99.737","0.005","90","","2206.2","0.4","120","0.2","120","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cl2 N2 O12 -","- C48 H50 Cl2 N2 O11.2 -","- C96 H100 Cl4 N4 O22.4 -","2","0.5","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov","4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals","New Journal of Chemistry","2007","31","6","980","","10.1039/b615056j","","","0.71073","MoKα","","0.2886","0.1495","","","0.3078","0.3606","","","","","","1.065","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052116","11.023","0.0004","11.2484","0.0004","12.5132","0.0005","82.944","0.002","76.649","0.002","61.394","0.002","1325.18","0.09","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 Cl2 N2 O12 -","- C60 H62 Cl2 N2 O12 -","- C60 H62 Cl2 N2 O12 -","1","0.5","","Lyudmila G. Kuz'mina; Artem I. Vedernikov; Natalia A. Lobova; Andrei V. Churakov; Judith A. K. Howard; Michael V. Alfimov; Sergey P. Gromov","4-Styrylquinolines: synthesis and study of [2 + 2]-photocycloaddition reactions in thin films and single crystals","New Journal of Chemistry","2007","31","6","980","","10.1039/b615056j","","","0.71073","MoKα","","0.0977","0.0523","","","0.1156","0.1283","","","","","","0.959","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052117","8.3685","0.0002","9.1253","0.0002","9.7248","0.0003","69.2894","0.001","82.1053","0.001","77.1832","0.0014","675.92","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","mar147","","","- C12 H14 F3 N O5 -","- C12 H14 F3 N O5 -","- C24 H28 F6 N2 O10 -","2","1","","Alberto Avenoza; Jesús H. Busto; Noelia Canal; José I. García; Gonzalo Jiménez-Osés; Jesús M. Peregrina; Marta Pérez-Fernández","Mechanistic study of the ring-size modulation in Michael?Dieckmann type reactions of 2-acylaminoacrylates with ketene diethyl acetal","New Journal of Chemistry","2007","31","2","224","","10.1039/b615220a","","","0.71073","MoKα","","0.0542","0.0385","","","0.09","0.0979","","","","","","1.045","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052118","13.6418","0.0016","16.7","0.002","20.05","0.002","85.446","0.008","83.877","0.007","70.685","0.007","4281.3","0.9","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 F12 N5 O27 P4 -","- C78 H105 F12 N5 O27 P4 -","- C156 H210 F24 N10 O54 P8 -","2","1","","Mezei, Gellert; Kampf, Jeff W.; Pecoraro, Vincent L.","Temperature-, molar ratio- and counterion-effects on the crystal growth of bipyridinium-bis(alkylcarboxylic acid)?crown ether pseudorotaxanes","New Journal of Chemistry","2007","31","3","439","","10.1039/b615273b","","","0.71073","MoKα","","0.1011","0.0627","","","0.153","0.1777","","","","","","0.994","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052119","14.3358","0.0019","16.055","0.002","20.135","0.003","90","","101.999","0.009","90","","4533","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H102 F24 N6 O18 P4 -","- C80 H102 F24 N6 O18 P4 -","- C160 H204 F48 N12 O36 P8 -","2","0.5","","Mezei, Gellert; Kampf, Jeff W.; Pecoraro, Vincent L.","Temperature-, molar ratio- and counterion-effects on the crystal growth of bipyridinium-bis(alkylcarboxylic acid)?crown ether pseudorotaxanes","New Journal of Chemistry","2007","31","3","439","","10.1039/b615273b","","","0.71073","MoKα","","0.0667","0.0436","","","0.1091","0.1192","","","","","","1.092","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052120","10.7969","0.0013","11.6598","0.0014","13.4326","0.0016","69.073","0.002","66.558","0.002","76","0.002","1439.2","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H66 F12 N2 O14 P2 -","- C54 H66 F12 N2 O14 P2 -","- C54 H66 F12 N2 O14 P2 -","1","0.5","","Mezei, Gellert; Kampf, Jeff W.; Pecoraro, Vincent L.","Temperature-, molar ratio- and counterion-effects on the crystal growth of bipyridinium-bis(alkylcarboxylic acid)?crown ether pseudorotaxanes","New Journal of Chemistry","2007","31","3","439","","10.1039/b615273b","","","0.71073","MoKα","","0.0438","0.0355","","","0.0956","0.102","","","","","","1.041","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052121","10.405","0.002","11.148","0.002","14.021","0.003","69.539","0.003","81.494","0.003","74.025","0.003","1462.5","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H66 F12 N2 O14 P2 -","- C55 H66 F12 N2 O14 P2 -","- C55 H66 F12 N2 O14 P2 -","1","0.5","","Mezei, Gellert; Kampf, Jeff W.; Pecoraro, Vincent L.","Temperature-, molar ratio- and counterion-effects on the crystal growth of bipyridinium-bis(alkylcarboxylic acid)?crown ether pseudorotaxanes","New Journal of Chemistry","2007","31","3","439","","10.1039/b615273b","","","0.71073","MoKα","","0.0748","0.0592","","","0.1653","0.1782","","","","","","1.02","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052122","11.7067","0.0011","12.1212","0.0011","13.9127","0.0013","94.769","0.006","110.295","0.006","109.052","0.006","1706.7","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H78 F12 N6 O14 P2 -","- C62 H78 F12 N6 O14 P2 -","- C62 H78 F12 N6 O14 P2 -","1","0.5","","Mezei, Gellert; Kampf, Jeff W.; Pecoraro, Vincent L.","Temperature-, molar ratio- and counterion-effects on the crystal growth of bipyridinium-bis(alkylcarboxylic acid)?crown ether pseudorotaxanes","New Journal of Chemistry","2007","31","3","439","","10.1039/b615273b","","","0.71073","MoKα","","0.0953","0.0508","","","0.1098","0.1261","","","","","","1.025","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052123","17.349","0.002","33.402","0.004","42.855","0.005","90","","93.069","0.002","90","","24798","5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C212 H198 N20 O88 S16 -","- C212 H134 N20 O88 S16 -","- C848 H536 N80 O352 S64 -","4","0.5","","Smith, Christopher B.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state interplay of isomeric 4?-(pyridyl)-3,2?:6?,3?-terpyridines with p-sulfonatocalix[4]arene","New Journal of Chemistry","2007","31","4","535","","10.1039/b615508a","","","0.71073","MoKα","","0.3617","0.2234","","","0.4862","0.5783","","","","","","0.985","","","","has coordinates,has disorder","180075","2020-10-21","18:00:00",""
"7052124","17.195","0.001","17.804","0.003","23.132","0.002","78.326","0.009","86.573","0.004","68.775","0.009","6464","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H142 N12 O58 S8 -","- C116 H132 N12 O58 S8 -","- C232 H264 N24 O116 S16 -","2","1","","Smith, Christopher B.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state interplay of isomeric 4?-(pyridyl)-3,2?:6?,3?-terpyridines with p-sulfonatocalix[4]arene","New Journal of Chemistry","2007","31","4","535","","10.1039/b615508a","","","0.71073","MoKα","","0.2007","0.1382","","","0.3765","0.4013","","","","","","1.022","","","","has coordinates,has disorder","180075","2020-10-21","18:00:00",""
"7052125","49.471","0.002","11.382","0.001","21.92","0.001","90","","115.321","0.004","90","","11156.9","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H53 N4 O24 S4 -","- C48 H37 N4 O23.97 S4 -","- C384 H296 N32 O191.76 S32 -","8","1","","Smith, Christopher B.; Makha, Mohamed; Raston, Colin L.; Sobolev, Alexandre N.","Solution and solid state interplay of isomeric 4?-(pyridyl)-3,2?:6?,3?-terpyridines with p-sulfonatocalix[4]arene","New Journal of Chemistry","2007","31","4","535","","10.1039/b615508a","","","0.71073","MoKα","","0.1444","0.1391","","","0.317","0.3218","","","","","","1.086","","","","has coordinates,has disorder","180075","2020-10-21","18:00:00",""
"7052126","11.6399","0.0004","12.1551","0.0004","12.5581","0.0004","75.915","0.002","72.576","0.002","76.92","0.002","1621.52","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 Cl2 N5 O10 -","- C27 H29 N5 O10 -","- C54 H58 N10 O20 -","2","1","","Sessler, Jonathan L.; Barkey, Natalie M.; Pantos, G. Dan; Lynch, Vincent M.","Acyclic pyrrole-based anion receptors: design, synthesis, and anion-binding properties","New Journal of Chemistry","2007","31","5","646","","10.1039/b615673h","","","0.71073","MoKα","","0.1227","0.0735","","","0.1973","0.2147","","","","","","1.165","","","","has coordinates,has disorder","180075","2020-10-21","18:00:00",""
"7052127","16.2474","0.0007","16.2674","0.0007","20.5931","0.0007","83.54","0.003","76.736","0.003","71.072","0.002","5006.9","0.4","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C90 H93.5 Cl3 N4.5 O16 S4 -","- C90 H93.5 Cl3 N4.5 O16 S4 -","- C180 H187 Cl6 N9 O32 S8 -","2","1","","Ngong Kodiah Beyeh; Jukka Aumanen; Antti Åhman; Minna Luostarinen; Heidi Mansikkamäki; Maija Nissinen; Jouko Korppi-Tommola; Kari Rissanen","Dansylated resorcinarenes","New Journal of Chemistry","2007","31","3","370","","10.1039/b615772f","","","0.71073","MoKα","","0.2545","0.1274","","","0.3377","0.3917","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052128","29.3447","0.0009","22.6903","0.0005","22.2725","0.0007","90","","109.033","0.001","90","","14019.2","0.7","173","0.2","173","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C142 H147.5 N9.5 O25 S8 -","- C142 H147.5 N9.5 O25 S8 -","- C568 H590 N38 O100 S32 -","4","0.5","","Ngong Kodiah Beyeh; Jukka Aumanen; Antti Åhman; Minna Luostarinen; Heidi Mansikkamäki; Maija Nissinen; Jouko Korppi-Tommola; Kari Rissanen","Dansylated resorcinarenes","New Journal of Chemistry","2007","31","3","370","","10.1039/b615772f","","","0.71073","MoKα","","0.22","0.0913","","","0.2217","0.2794","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052129","8.218","0.0004","11.3823","0.0004","17.5254","0.0009","90","","101.113","0.002","90","","1608.58","0.13","173","0.2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Ngong Kodiah Beyeh; Jukka Aumanen; Antti Åhman; Minna Luostarinen; Heidi Mansikkamäki; Maija Nissinen; Jouko Korppi-Tommola; Kari Rissanen","Dansylated resorcinarenes","New Journal of Chemistry","2007","31","3","370","","10.1039/b615772f","","","0.71073","MoKα","","0.0654","0.0399","","","0.0831","0.0918","","","","","","1.047","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052130","8.2722","0.0011","11.2447","0.0016","37.776","0.005","90","","90","","90","","3513.9","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[(1R,2S,5R)-(-)-menthoxymethyl]-3-methylimidazolium chloride hydrate","","- C15 H29 Cl N2 O2 -","- C15 H29 Cl N2 O2 -","- C120 H232 Cl8 N16 O16 -","8","2","","Juliusz Pernak; Joanna Feder-Kubis; Anna Cieniecka-Rosłonkiewicz; Cedric Fischmeister; Scott T. Griffin; Robin D. Rogers","Synthesis and properties of chiral imidazolium ionic liquids with a (1R,2S,5R)-(?)-menthoxymethyl substituent","New Journal of Chemistry","2007","31","6","879","","10.1039/b616215k","","","0.71073","MoKα","","0.0802","0.0486","","","0.0765","0.0838","","","","","","1.015","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052131","13.0143","0.0014","8.0671","0.0008","17.9287","0.0018","90","","103.636","0.002","90","","1829.2","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[(1R,2S,5R)‒(‒)‒menthoxymethyl]-3-ethylimidazolium chloride hemihydrate","","- C16 H30 Cl N2 O1.5 -","- C16 H29 Cl N2 O1.5 -","- C64 H116 Cl4 N8 O6 -","4","2","","Juliusz Pernak; Joanna Feder-Kubis; Anna Cieniecka-Rosłonkiewicz; Cedric Fischmeister; Scott T. Griffin; Robin D. Rogers","Synthesis and properties of chiral imidazolium ionic liquids with a (1R,2S,5R)-(?)-menthoxymethyl substituent","New Journal of Chemistry","2007","31","6","879","","10.1039/b616215k","","","0.71073","MoKα","","0.0982","0.0569","","","0.1478","0.1668","","","","","","0.993","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052132","9.4408","0.001","34.119","0.004","12.1754","0.0013","90","","90.292","0.002","90","","3921.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-[(1R,2S,5R)‒(‒)‒menthoxymethyl]-3-propylimidazolium chloride hemihydrate","","- C17 H32 Cl N2 O1.5 -","- C17 H32 Cl N2 O1.5 -","- C136 H256 Cl8 N16 O12 -","8","4","","Juliusz Pernak; Joanna Feder-Kubis; Anna Cieniecka-Rosłonkiewicz; Cedric Fischmeister; Scott T. Griffin; Robin D. Rogers","Synthesis and properties of chiral imidazolium ionic liquids with a (1R,2S,5R)-(?)-menthoxymethyl substituent","New Journal of Chemistry","2007","31","6","879","","10.1039/b616215k","","","0.71073","MoKα","","0.1361","0.0651","","","0.1222","0.1471","","","","","","0.99","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052134","25.43","0.004","11.8649","0.0017","16.688","0.002","90","","90","","90","","5035.2","1.2","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C40 H63 Cu2 N10 O16.5 -","- C40 H60 Cu2 N10 O16.5 -","- C160 H240 Cu8 N40 O66 -","4","1","","Boiocchi, Massimo; Bonizzoni, Marco; Moletti, Alberto; Pasini, Dario; Taglietti, Angelo","Linear recognition of dicarboxylates by ditopic macrocyclic complexes","New Journal of Chemistry","2007","31","3","352","","10.1039/b616492g","","","0.71073","MoKα","","0.0976","0.0574","","","0.1447","0.1708","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052135","16.0948","0.0001","26.2675","0.0001","19.298","0.0001","90","","90","","90","","8158.62","0.07","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H56 N4 O2 S4 -","- C42 H56 N4 O2 S4 -","- C336 H448 N32 O16 S32 -","8","1","","Martin Valik; Vladimir Král; Eberhardt Herdtweck; Franz P. Schmidtchen","Sulfoniumcalixpyrrole: the decoration of a calix[4]pyrrole host with positive charges boosts affinity and selectivity of anion binding in DMSO solvent","New Journal of Chemistry","2007","31","5","703","","10.1039/b617465e","","","0.71073","MoKα","","0.0432","0.0354","","","0.0859","0.0908","","","","","","1.016","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052136","9.014","0.0008","14.873","0.002","16.749","0.002","77.96","0.01","83.05","0.01","77.57","0.01","2137.8","0.4","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 N2 O2 -","- C52 H56 N2 O2 -","- C104 H112 N4 O4 -","2","1","","Stéphanie Leroy-Lhez; Magali Allain; Jean Oberlé; Frédéric Fages","Synthesis and zinc(ii) complexation modulated fluorescence emission properties of two pyrene-oligo(phenylene vinylene)-2,2?-bipyridine conjugated molecular rods","New Journal of Chemistry","2007","31","6","1013","","10.1039/b617497c","","x-ray","0.71073","MoKα","","","0.0471","","","","0.1413","","","","","","0.794","","","","has coordinates","301851","2025-08-21","20:32:39",""
"7052137","37.1517","0.0005","37.1517","0.0005","19.4231","0.0003","90","","90","","120","","23217","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H58 Br2 N2 O4 -","- C54 H58 Br2 N2 O4 -","- C972 H1044 Br36 N36 O72 -","18","1","","van de Coevering, Rob; Bruijnincx, Pieter C. A.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Ionic core–shell dendrimers with a polycationic core: structural aspects and host–guest binding properties","New Journal of Chemistry","2007","31","7","1337","","10.1039/b617669k","","","0.71073","MoKα","","0.0758","0.0586","","","0.1749","0.1881","","","","","","1.082","","","","has coordinates,has disorder","301851","2025-08-21","20:32:40",""
"7052138","9.9322","0.0002","13.9718","0.0002","19.304","0.0004","100.327","0.001","92.3451","0.0008","103.829","0.0009","2549.18","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H61 N4 O5 S -","- C59 H61 N4 O5 S -","- C118 H122 N8 O10 S2 -","2","1","","van de Coevering, Rob; Bruijnincx, Pieter C. A.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Ionic core–shell dendrimers with a polycationic core: structural aspects and host–guest binding properties","New Journal of Chemistry","2007","31","7","1337","","10.1039/b617669k","","","0.71073","MoKα","","0.0604","0.0433","","","0.1055","0.1142","","","","","","1.026","","","","has coordinates,has disorder","301851","2025-08-21","20:32:40",""
"7052139","8.907","0.0009","5.6894","0.0008","13.0599","0.0013","90","","90.588","0.012","90","","661.78","0.13","180","","180","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 -","- C8 H8 N2 -","- C32 H32 N8 -","4","1","","Johannes Teichert; Pascal Oulié; Kane Jacob; Laure Vendier; Michel Etienne; Rosa M. Claramunt; Concepción López; Carlos Pérez Medina; Ibon Alkorta; José Elguero","The structure of fluorinated indazoles: the effect of the replacement of a H by a F atom on the supramolecular structure of NH-indazoles","New Journal of Chemistry","2007","31","6","936","","10.1039/b617988f","","","0.71073","MoKα","","0.042","0.0368","","","0.091","0.0943","","","","","","1.063","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052140","12.5397","0.0018","12.5397","0.0018","4.3463","0.0009","90","","90","","120","","591.87","0.17","180","","180","","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C8 H5 F3 N2 -","- C8 H5 F3 N2 -","- C24 H15 F9 N6 -","3","1","","Johannes Teichert; Pascal Oulié; Kane Jacob; Laure Vendier; Michel Etienne; Rosa M. Claramunt; Concepción López; Carlos Pérez Medina; Ibon Alkorta; José Elguero","The structure of fluorinated indazoles: the effect of the replacement of a H by a F atom on the supramolecular structure of NH-indazoles","New Journal of Chemistry","2007","31","6","936","","10.1039/b617988f","","","0.71073","MoKα","","0.1277","0.0885","","","0.1489","0.1687","","","","","","1.048","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052141","12.5382","0.0018","12.5382","0.0018","4.9499","0.001","90","","90","","120","","673.9","0.19","180","","180","","","","","","","","synthesis as described","4","P 32","P 32","145","","","","- C8 H F7 N2 -","- C8 H F7 N2 -","- C24 H3 F21 N6 -","3","1","","Johannes Teichert; Pascal Oulié; Kane Jacob; Laure Vendier; Michel Etienne; Rosa M. Claramunt; Concepción López; Carlos Pérez Medina; Ibon Alkorta; José Elguero","The structure of fluorinated indazoles: the effect of the replacement of a H by a F atom on the supramolecular structure of NH-indazoles","New Journal of Chemistry","2007","31","6","936","","10.1039/b617988f","","","0.71073","MoKα","","0.1385","0.0418","","","0.0713","0.0934","","","","","","0.92","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052142","9.3629","0.0013","10.7928","0.0009","12.9505","0.0016","68.589","0.008","83.856","0.009","85.975","0.007","1210.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.75 H53 B2 Cu3 F8 N6 O6.75 -","- C44.75 H53 B2 Cu3 F8 N6 O6.75 -","- C44.75 H53 B2 Cu3 F8 N6 O6.75 -","1","0.5","","Koval, Iryna A.; Akhideno, Hilda; Tanase, Stefania; Belle, Catherine; Duboc, Carole; Saint-Aman, Eric; Gamez, Patrick; Tooke, Duncan M.; Spek, Anthony L.; Pierre, Jean-Louis; Reedijk, Jan","Changes in magnetic properties from solid state to solution in a trinuclear linear copper(ii) complex","New Journal of Chemistry","2007","31","4","512","","10.1039/b618154f","","","0.71073","MoKα","","0.0378","0.0312","","","0.0826","0.0864","","","","","","1.048","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052143","6.5739","0.0013","11.597","0.002","12.604","0.003","90","","90.13","0.03","90","","960.9","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","piperazinediium bis(4-aminobenzoate) dihydrate","piperazinediium bis(4-aminobenzoate) dihydrate","","- C18 H28 N4 O6 -","- C18 H28 N4 O6 -","- C36 H56 N8 O12 -","2","0.5","","Moulton, Brian; Luisi, Brian S.; Fonari, Marina S.; Basok, Stepan S.; Ganin, Eduard V.; Kravtsov, Victor Ch.","Supramolecular associates of para-aminobenzoic acid with N- and N,O-heterocyclic molecules","New Journal of Chemistry","2007","31","4","561","","10.1039/b618207k","","","","MoKα","","0.042","0.0373","","","0.1039","0.1073","","","","","","1.005","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052144","19.0506","0.0013","12.12","0.0009","14.4397","0.001","90","","107.72","0.001","90","","3175.8","0.4","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","meso-(5S,12S)-5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8- diazoniacyclotetradecane bis(4-aminobenzoate) hydrate","meso-(5S,12S)-5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane bis(4-aminobenzoate) hydrate","","- C30 H52 N6 O5 -","- C30 H52 N6 O5 -","- C120 H208 N24 O20 -","4","0.5","","Moulton, Brian; Luisi, Brian S.; Fonari, Marina S.; Basok, Stepan S.; Ganin, Eduard V.; Kravtsov, Victor Ch.","Supramolecular associates of para-aminobenzoic acid with N- and N,O-heterocyclic molecules","New Journal of Chemistry","2007","31","4","561","","10.1039/b618207k","","","0.71073","MoKα","","0.0619","0.0484","","","0.1211","0.1283","","","","","","1.006","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052145","9.6004","0.0019","11.35","0.002","12.088","0.002","90","","111.91","0.03","90","","1222","0.5","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","4,10-diaza-1,7-diazoniacyclododecane bis(4-aminobenzoate) dihydrate","4,10-diaza-1,7-diazoniacyclododecane bis(4-aminobenzoate) dihydrate","","- C22 H38 N6 O6 -","- C22 H38 N6 O6 -","- C44 H76 N12 O12 -","2","1","","Moulton, Brian; Luisi, Brian S.; Fonari, Marina S.; Basok, Stepan S.; Ganin, Eduard V.; Kravtsov, Victor Ch.","Supramolecular associates of para-aminobenzoic acid with N- and N,O-heterocyclic molecules","New Journal of Chemistry","2007","31","4","561","","10.1039/b618207k","","","","MoKα","","0.04","0.0366","","","0.0881","0.0906","","","","","","1.009","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052146","10.9044","0.0014","9.9475","0.0013","12.1429","0.0015","90","","114.267","0.002","90","","1200.8","0.3","90","2","90","2","","","","","","","","4","P 1 c 1","P -2yc","7","1,7-dioxa-4,10-diazoniacyclododecane bis(4-aminobenzoate) dihydrate","1,7-dioxa-4,10-diazoniacyclododecane bis(4-aminobenzoate) dihydrate","","- C22 H36 N4 O8 -","- C22 H36 N4 O8 -","- C44 H72 N8 O16 -","2","1","","Moulton, Brian; Luisi, Brian S.; Fonari, Marina S.; Basok, Stepan S.; Ganin, Eduard V.; Kravtsov, Victor Ch.","Supramolecular associates of para-aminobenzoic acid with N- and N,O-heterocyclic molecules","New Journal of Chemistry","2007","31","4","561","","10.1039/b618207k","","","","MoKα","","0.0381","0.0349","","","0.08","0.0825","","","","","","1.004","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052147","24.784","0.004","9.6757","0.0017","10.0867","0.0018","90","","90","","90","","2418.8","0.7","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane 4-aminobenzoate trihydrate","1,4,7,10,13-pentaoxa-16-azoniacyclooctadecane 4-aminobenzoate trihydrate","","- C19 H38 N2 O10 -","- C19 H38 N2 O10 -","- C76 H152 N8 O40 -","4","1","","Moulton, Brian; Luisi, Brian S.; Fonari, Marina S.; Basok, Stepan S.; Ganin, Eduard V.; Kravtsov, Victor Ch.","Supramolecular associates of para-aminobenzoic acid with N- and N,O-heterocyclic molecules","New Journal of Chemistry","2007","31","4","561","","10.1039/b618207k","","","","MoKα","","0.0575","0.0424","","","0.0848","0.0913","","","","","","0.996","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052148","14.2714","0.0009","12.8482","0.001","39.425","0.003","90","","104.958","0.007","90","","6984.1","0.9","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Cl4 Fe O2 S16 -","- C22 H12 Cl4 Fe O2 S16 -","- C176 H96 Cl32 Fe8 O16 S128 -","8","2","","Jean-Philippe Savy; Dominique de Caro; Christophe Faulmann; Lydie Valade; Manuel Almeida; Tadahiro Koike; Hideki Fujiwara; Toyonari Sugimoto; Jordi Fraxedas; Thierry Ondarçuhu; Claude Pasquier","Nanowires of molecule-based charge-transfer salts","New Journal of Chemistry","2007","31","4","519","","10.1039/b618241k","","","0.71073","MoKα","","0.1466","0.1038","","","0.2551","0.2693","","","","","","1.063","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052149","20.562","0.004","8.4423","0.0017","14.824","0.003","90","","106.93","0.03","90","","2461.8","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N2 O Se -","- C12 H16 N2 O Se -","- C96 H128 N16 O8 Se8 -","8","1","","Bruce, Jocelyn C.; Revaprasadu, Neerish; Koch, Klaus R.","Cadmium(ii) complexes of N,N-diethyl-N′-benzoylthio(seleno)urea as single-source precursors for the preparation of CdS and CdSe nanoparticles","New Journal of Chemistry","2007","31","9","1647","","10.1039/b618254b","","","0.71073","MoKα","","0.0247","0.0228","","","0.0585","0.0592","","","","","","1.095","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052150","8.73","0.0013","13.374","0.002","17.707","0.003","90","","95.956","0.003","90","","2056.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1","","","- C19 H24 Cl2 Cu N4 O -","- C19 H24 Cl2 Cu N4 O -","- C76 H96 Cl8 Cu4 N16 O4 -","4","1","","Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour","The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles","New Journal of Chemistry","2007","31","5","669","","10.1039/b618495m","","","0.71073","MoKα","","0.072","0.0521","","","0.1197","0.1284","","","","","","1.027","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052151","8.59","0.002","12.854","0.003","18.163","0.004","90","","91.596","0.004","90","","2004.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C18 H21 Cl2 Cu N5 -","- C18 H21 Cl2 Cu N5 -","- C72 H84 Cl8 Cu4 N20 -","4","1","","Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour","The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles","New Journal of Chemistry","2007","31","5","669","","10.1039/b618495m","","","0.71073","MoKα","","0.1973","0.1044","","","0.1959","0.231","","","","","","1.084","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052152","12.8579","0.0011","14.746","0.0013","13.8823","0.0012","90","","98.669","0.002","90","","2602","0.4","303","2","303","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","10","","","- C22 H32 Cl2 Cu N6 O2 -","- C22 H32 Cl2 Cu N6 O2 -","- C88 H128 Cl8 Cu4 N24 O8 -","4","1","","Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour","The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles","New Journal of Chemistry","2007","31","5","669","","10.1039/b618495m","","","0.71073","MoKα","","0.1436","0.0837","","","0.1932","0.2273","","","","","","1.015","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052153","8.598","0.003","13.177","0.004","18.105","0.006","90","","95.181","0.006","90","","2042.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C34 H40 Cl8 Cu2 N8 -","- C34 H40 Cl8 Cu2 N8 -","- C68 H80 Cl16 Cu4 N16 -","2","0.5","","Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour","The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles","New Journal of Chemistry","2007","31","5","669","","10.1039/b618495m","","","0.71073","MoKα","","0.12","0.062","","","0.1108","0.1307","","","","","","0.966","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052154","8.826","0.003","13.103","0.005","18.057","0.006","90","","95.838","0.007","90","","2077.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4","","","- C40 H52 Cl4 Cu2 N8 O2 -","- C40 H52 Cl4 Cu2 N8 O2 -","- C80 H104 Cl8 Cu4 N16 O4 -","2","0.5","","Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour","The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles","New Journal of Chemistry","2007","31","5","669","","10.1039/b618495m","","","0.71073","MoKα","","0.1549","0.0908","","","0.1486","0.1706","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052155","8.8822","0.0014","13.05","0.002","17.792","0.003","90","","95.486","0.003","90","","2052.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","5","","","- C36 H48 Cl4 Cu2 N8 O2 S2 -","- C36 H48 Cl4 Cu2 N8 O2 S2 -","- C72 H96 Cl8 Cu4 N16 O4 S4 -","2","0.5","","Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour","The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles","New Journal of Chemistry","2007","31","5","669","","10.1039/b618495m","","","0.71073","MoKα","","0.0757","0.0516","","","0.1074","0.1161","","","","","","1.033","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052156","8.4038","0.0015","12.927","0.002","18.195","0.003","90","","91.267","0.003","90","","1976.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6","","","- C36 H44 Cl4 Cu2 N8 O2 -","- C36 H44 Cl4 Cu2 N8 O2 -","- C72 H88 Cl8 Cu4 N16 O4 -","2","0.5","","Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour","The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles","New Journal of Chemistry","2007","31","5","669","","10.1039/b618495m","","","0.71073","MoKα","","0.1056","0.0721","","","0.1311","0.1414","","","","","","1.153","","","","has coordinates,has disorder","301851","2025-08-21","20:32:40",""
"7052157","15.7","0.013","21.205","0.018","8.132","0.007","90","","121.048","0.013","90","","2319","3","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","7","","","- C35 H39 Cl13 Cu2 N8 -","- C35 H39 Cl13 Cu2 N8 -","- C70 H78 Cl26 Cu4 N16 -","2","0.25","","Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour","The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles","New Journal of Chemistry","2007","31","5","669","","10.1039/b618495m","","","0.71073","MoKα","","0.1739","0.0824","","","0.1724","0.2169","","","","","","0.955","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052158","8.6006","0.0017","13.126","0.003","17.942","0.004","87.547","0.004","87.705","0.004","81.627","0.004","2000.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","8","","","- C38 H48 Cl4 Cu2 N8 O3 -","- C38 H48 Cl4 Cu2 N8 O3 -","- C76 H96 Cl8 Cu4 N16 O6 -","2","1","","Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour","The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles","New Journal of Chemistry","2007","31","5","669","","10.1039/b618495m","","","0.71073","MoKα","","0.1327","0.0879","","","0.1568","0.1733","","","","","","1.116","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7052159","8.539","0.005","10.673","0.006","13.386","0.007","104.272","0.01","91.858","0.01","112.793","0.009","1078.7","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9","","","- C18 H22 Cl4 Cu N4 -","- C18 H22 Cl4 Cu N4 -","- C36 H44 Cl8 Cu2 N8 -","2","1","","Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour","The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles","New Journal of Chemistry","2007","31","5","669","","10.1039/b618495m","","","0.71073","MoKα","","0.1259","0.0731","","","0.142","0.1655","","","","","","0.959","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052160","8.5803","0.0012","11.9991","0.0015","12.9458","0.0018","90","","92.406","0.017","90","","1331.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Ni S4 -","- C11 H13 Ni S4 -","- C44 H52 Ni4 S16 -","4","1","","Mitsushiro Nomura; Marc Fourmigué","The contrasted structural and magnetic behaviour of two single-component paramagnetic dithiolene complexes","New Journal of Chemistry","2007","31","4","528","","10.1039/b700278e","","","0.71073","MoKα","","0.1075","0.0454","","","0.0744","0.089","","","","","","0.842","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052161","8.769","0.001","9.318","0.0012","10.3604","0.0015","87.844","0.016","83.577","0.015","62.422","0.013","745.55","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Ni S4 -","- C15 H13 Ni S4 -","- C30 H26 Ni2 S8 -","2","1","","Mitsushiro Nomura; Marc Fourmigué","The contrasted structural and magnetic behaviour of two single-component paramagnetic dithiolene complexes","New Journal of Chemistry","2007","31","4","528","","10.1039/b700278e","","","0.71073","MoKα","","0.1208","0.0752","","","0.2006","0.2299","","","","","","0.98","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052162","14.1796","0.0013","14.1796","0.0013","25.007","0.002","90","","90","","120","","4354.3","0.7","293","2","293","2","","","","","","","","6","P 31 2 1","P 31 2""","152","bis(mu2-R,R-N,N'-(2-methyl-8-methoxyquinoline)-1,2-trans-cyclohexanedi-imine) -di-copper(i) diperchlorate","","","- C56 H56 Cl2 Cu2 N8 O12 -","- C56 H56 Cl2 Cu2 N8 O12 -","- C168 H168 Cl6 Cu6 N24 O36 -","3","0.5","","Pallavicini, Piersandro; Boiocchi, Massimo; Dacarro, Giacomo; Mangano, Carlo","Enhanced kinetic inertness in the electrochemical interconversion of Cu(i) double helical to Cu(ii) monomeric complexes","New Journal of Chemistry","2007","31","6","927","","10.1039/b700488e","","","0.71073","MoKα","","0.1557","0.089","","","0.2429","0.2853","","","","","","0.974","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052163","13.8593","0.0016","12.171","0.0019","20.914","0.002","90","","90","","90","","3527.8","0.8","293","2","293","2","","","","","","","","6","I 2 2 2","I 2 2","23","bis(mu2-R,R-N,N'-(2-methyl-8-buthoxyquinoline)-1,2-trans-cyclohexanedi-imine) -di-copper(i) diperchlorate","","","- C68 H80 Cl2 Cu2 N8 O12 -","- C68 H80 Cl2 Cu2 N8 O12 -","- C136 H160 Cl4 Cu4 N16 O24 -","2","0.25","","Pallavicini, Piersandro; Boiocchi, Massimo; Dacarro, Giacomo; Mangano, Carlo","Enhanced kinetic inertness in the electrochemical interconversion of Cu(i) double helical to Cu(ii) monomeric complexes","New Journal of Chemistry","2007","31","6","927","","10.1039/b700488e","","","0.71073","MoKα","","0.1482","0.0638","","","0.1369","0.1776","","","","","","0.992","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052164","13.409","0.003","14.202","0.003","15.345","0.003","109.09","0.03","99.73","0.03","99.82","0.03","2640.6","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H60 N4 O5 Zn2 -","- C61 H60 N4 O5 Zn2 -","- C122 H120 N8 O10 Zn4 -","2","1","","Dalla Cort, Antonella; Mandolini, Luigi; Pasquini, Chiara; Rissanen, Kari; Russo, Luca; Schiaffino, Luca","Zinc–salophen complexes as selective receptors for tertiary amines","New Journal of Chemistry","2007","31","9","1633","","10.1039/b700723j","","","0.71073","MoKα","","0.127","0.0651","","","0.1263","0.1608","","","","","","1.032","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052165","21.55","0.004","11.749","0.002","30.5348","0.0006","90","","109.83","0.03","90","","7273","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.78 H41.78 Cl2.34 N3 O2 Zn -","- C37.7805 H41 Cl2.3415 N3 O2 Zn -","- C302.244 H328 Cl18.732 N24 O16 Zn8 -","8","2","","Dalla Cort, Antonella; Mandolini, Luigi; Pasquini, Chiara; Rissanen, Kari; Russo, Luca; Schiaffino, Luca","Zinc‒salophen complexes as selective receptors for tertiary amines","New Journal of Chemistry","2007","31","9","1633","","10.1039/b700723j","","","0.71073","MoKα","","0.2408","0.1953","","","0.4063","0.4311","","","","","","1.124","","","","has coordinates,has disorder","180075","2020-10-21","18:00:00",""
"7052166","23.3924","0.0017","9.5829","0.0007","19.3455","0.0014","90","","126.649","0.001","90","","3479.3","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 O2 -","- C26 H16 O2 -","- C208 H128 O16 -","8","1","","Gautrot, Julien E.; Hodge, Philip; Cupertino, Domenico; Helliwell, Madeleine","2,6-Diaryl-9,10-anthraquinones as models for electron-accepting polymers","New Journal of Chemistry","2007","31","9","1585","","10.1039/b701257h","","","0.71073","MoKα","","0.0439","0.0356","","","0.0917","0.0944","","","","","","1.024","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052167","5.686","0.0015","10.21","0.003","14.072","0.004","97.506","0.004","92.789","0.004","90.58","0.004","808.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H12 O2 S2 -","- C22 H12 O2 S2 -","- C44 H24 O4 S4 -","2","1","","Gautrot, Julien E.; Hodge, Philip; Cupertino, Domenico; Helliwell, Madeleine","2,6-Diaryl-9,10-anthraquinones as models for electron-accepting polymers","New Journal of Chemistry","2007","31","9","1585","","10.1039/b701257h","","","0.71073","MoKα","","0.0605","0.0428","","","0.0987","0.1085","","","","","","0.958","","","","has coordinates,has disorder","301851","2025-08-21","20:32:40",""
"7052168","8.736","0.006","8.973","0.006","18.358","0.012","89.562","0.013","88.762","0.012","81.196","0.012","1421.7","1.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H88 O2 -","- C72 H88 O2 -","- C72 H88 O2 -","1","0.5","","Gautrot, Julien E.; Hodge, Philip; Cupertino, Domenico; Helliwell, Madeleine","2,6-Diaryl-9,10-anthraquinones as models for electron-accepting polymers","New Journal of Chemistry","2007","31","9","1585","","10.1039/b701257h","","","0.71073","MoKα","","0.1054","0.0556","","","0.1114","0.1261","","","","","","0.879","","","","has coordinates,has disorder","301851","2025-08-21","20:32:40",""
"7052169","9.563","","12.095","","13.129","","73.31","","69.31","","88.65","","1355.62","","293","2","293","2","","","","","","","","7","P -1","-P 1","2","((R/S)-EDT-TTF(SMe)-oxazoline)2(Mo6Cl14)","","","- C26 H26 Cl14 Mo6 N2 O2 S14 -","- C26 H26 Cl14 Mo6 N2 O2 S14 -","- C26 H26 Cl14 Mo6 N2 O2 S14 -","1","0.5","","Réthoré, Céline; Madalan, Augustin; Fourmigué, Marc; Canadell, Enric; Lopes, Elsa B.; Almeida, Manuel; Clérac, Rodolphe; Avarvari, Narcis","O⋯S vs. N⋯S intramolecular nonbonded interactions in neutral and radical cation salts of TTF-oxazoline derivatives: synthesis, theoretical investigations, crystalline structures, and physical properties","New Journal of Chemistry","2007","31","8","1468","","10.1039/b701617d","","","0.7107","MoKα","","0.162","0.06","","","0.0955","0.1181","","","","","","1.004","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052170","10.392","","13.868","","18.026","","91.19","","102.84","","107.28","","2408.03","","293","2","293","2","","","","","","","","7","P -1","-P 1","2","((R/S)-EDT-TTF(SMe)-oxazoline)4(Mo6Cl14)","","","- C52 H52 Cl14 Mo6 N4 O4 S28 -","- C52 H52 Cl14 Mo6 N4 O4 S28 -","- C52 H52 Cl14 Mo6 N4 O4 S28 -","1","0.5","","Réthoré, Céline; Madalan, Augustin; Fourmigué, Marc; Canadell, Enric; Lopes, Elsa B.; Almeida, Manuel; Clérac, Rodolphe; Avarvari, Narcis","O⋯S vs. N⋯S intramolecular nonbonded interactions in neutral and radical cation salts of TTF-oxazoline derivatives: synthesis, theoretical investigations, crystalline structures, and physical properties","New Journal of Chemistry","2007","31","8","1468","","10.1039/b701617d","","","0.71073","MoKα","","0.1425","0.0528","","","0.1095","0.1354","","","","","","1.012","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052171","10.3656","0.0004","14.7041","0.0006","11.0971","0.0004","90","","111.493","0.002","90","","1573.77","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 Ag Cl N6 O6 -","- C10 H13 Ag Cl N6 O6 -","- C40 H52 Ag4 Cl4 N24 O24 -","4","1","","Fabrice Pointillart; Cyrille Train; Patrick Herson; Jérôme Marrot; Michel Verdaguer","Verdazyl-based extended structures: synthesis, structures and magnetic properties of silver(i) one dimensional compounds","New Journal of Chemistry","2007","31","6","1001","","10.1039/b701686g","","","0.71073","MoKα","","0.0902","0.0523","","","0.131","0.1469","","","","","","1.04","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052172","12.2251","0.0007","15.406","0.009","19.7291","0.001","90","","90","","90","","3716","2","250","","250","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H19 Ag Cl N7 O5 -","- C12 H19 Ag Cl N7 O5 -","- C96 H152 Ag8 Cl8 N56 O40 -","8","1","","Fabrice Pointillart; Cyrille Train; Patrick Herson; Jérôme Marrot; Michel Verdaguer","Verdazyl-based extended structures: synthesis, structures and magnetic properties of silver(i) one dimensional compounds","New Journal of Chemistry","2007","31","6","1001","","10.1039/b701686g","","","0.71073","MoKα","","0.1999","0.1142","","0.1415","0.1095","0.1095","","","","","","1.0707","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052173","7.2707","0.0006","12.3313","0.001","28.699","0.002","90","","96.684","0.002","90","","2555.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N2 Pt -","- C33 H24 N2 Pt -","- C132 H96 N8 Pt4 -","4","1","","Seneclauze, Julie Batcha; Retailleau, Pascal; Ziessel, Raymond","Design and preparation of neutral substituted fluorene- and carbazole-based platinum(ii)‒acetylide complexes","New Journal of Chemistry","2007","31","8","1412","","10.1039/b702374j","","","0.71073","MoKα","","0.0423","0.0399","","","0.1001","0.1008","","","","","","1.581","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052174","7.301","0.005","12.688","0.005","25.728","0.005","90","","90","","90","","2383.3","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 N3 Pt -","- C31 H21 N3 Pt -","- C124 H84 N12 Pt4 -","4","1","","Seneclauze, Julie Batcha; Retailleau, Pascal; Ziessel, Raymond","Design and preparation of neutral substituted fluorene- and carbazole-based platinum(ii)‒acetylide complexes","New Journal of Chemistry","2007","31","8","1412","","10.1039/b702374j","","","0.71069","MoKα","","0.0425","0.0307","","","0.0762","0.0901","","","","","","1.159","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052175","13.641","0.003","17.738","0.004","18.898","0.004","75.86","0.03","82.89","0.03","84.78","0.03","4391.2","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H78 Cl4 N15 O28.5 S4 Zn2 -","- C78 H77 Cl4 N15 O28.5 S4 Zn2 -","- C156 H154 Cl8 N30 O57 S8 Zn4 -","2","1","","Baylies, Christian J.; Harding, Lindsay P.; Jeffery, John C.; Moon, Ryan; Rice, Craig R.; Riis-Johannessen, T.","Electrostatic control of the formation of heteroleptic transition metal helicates","New Journal of Chemistry","2007","31","8","1525","","10.1039/b702608k","","","0.71073","MoKα","","0.1106","0.056","","","0.1368","0.1612","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052176","16.9511","0.0003","18.4571","0.0003","20.1644","0.0004","108.458","0.001","103.302","0.001","110.497","0.001","5176.27","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H80.5 Ba2 Cl8 N15.5 O45 S4 Zn2 -","- C79 H78.5 Ba2 Cl8 N15.5 O45 S4 Zn2 -","- C158 H157 Ba4 Cl16 N31 O90 S8 Zn4 -","2","1","","Baylies, Christian J.; Harding, Lindsay P.; Jeffery, John C.; Moon, Ryan; Rice, Craig R.; Riis-Johannessen, T.","Electrostatic control of the formation of heteroleptic transition metal helicates","New Journal of Chemistry","2007","31","8","1525","","10.1039/b702608k","","x-ray","1.54178","CuKα","","0.0771","0.0525","","","0.1281","0.1419","","","","","","0.996","","","","has coordinates","288091","2023-12-06","15:51:23",""
"7052177","6.35","0.0013","10.747","0.002","13.239","0.003","90","","92.69","0.03","90","","902.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H33 Al N2 O -","- C16 H33 Al N2 O -","- C32 H66 Al2 N4 O2 -","2","0.5","","Jones, Cameron; Rose, Richard P.","Synthesis and characterisation of tetramethylpiperidinyloxide (TEMPO) complexes of group 13 metal hydrides","New Journal of Chemistry","2007","31","8","1484","","10.1039/b702641b","","","0.71073","MoKα","","0.1041","0.0679","","","0.1507","0.1679","","","","","","1.072","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052178","6.35","0.0013","10.729","0.002","13.273","0.003","90","","92.61","0.03","90","","903.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C16 H33 Ga N2 O -","- C16 H33 Ga N2 O -","- C32 H66 Ga2 N4 O2 -","2","0.5","","Jones, Cameron; Rose, Richard P.","Synthesis and characterisation of tetramethylpiperidinyloxide (TEMPO) complexes of group 13 metal hydrides","New Journal of Chemistry","2007","31","8","1484","","10.1039/b702641b","","","0.71073","MoKα","","0.0962","0.0897","","","0.2239","0.2302","","","","","","1.134","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052179","12.707","0.003","11.963","0.002","17.66","0.004","90","","95.14","0.03","90","","2673.8","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H50 Al N3 O2 -","- C25 H50 Al N3 O2 -","- C100 H200 Al4 N12 O8 -","4","1","","Jones, Cameron; Rose, Richard P.","Synthesis and characterisation of tetramethylpiperidinyloxide (TEMPO) complexes of group 13 metal hydrides","New Journal of Chemistry","2007","31","8","1484","","10.1039/b702641b","","","0.71073","MoKα","","0.097","0.0599","","","0.1197","0.1356","","","","","","1.016","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052180","12.081","0.001","17.513","0.001","12.328","0.001","90","","118.022","0.001","90","","2302.5","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 P Si2 -","- C23 H29 P Si2 -","- C92 H116 P4 Si8 -","4","1","","Moores, Audrey; Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Experimental and theoretical study of phosphinine sulfides","New Journal of Chemistry","2007","31","8","1493","","10.1039/b702851b","","","0.71069","MoKα","","0.0573","0.041","","","0.1117","0.1197","","","","","","1.076","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052181","6.24","0.001","12.986","0.001","27.663","0.001","90","","90","","90","","2241.6","0.4","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 P S -","- C29 H21 P S -","- C116 H84 P4 S4 -","4","1","","Moores, Audrey; Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Experimental and theoretical study of phosphinine sulfides","New Journal of Chemistry","2007","31","8","1493","","10.1039/b702851b","","","0.71069","MoKα","","0.0511","0.0384","","","0.0933","0.099","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052182","17.932","0.001","12.292","0.001","20.981","0.001","90","","90","","90","","4624.6","0.5","150","0.1","150","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H29 P S Si2 -","- C23 H29 P S Si2 -","- C184 H232 P8 S8 Si16 -","8","1","","Moores, Audrey; Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Experimental and theoretical study of phosphinine sulfides","New Journal of Chemistry","2007","31","8","1493","","10.1039/b702851b","","","0.71069","MoKα","","0.043","0.0332","","","0.094","0.0998","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052183","9.273","0.002","9.672","0.002","21.274","0.004","97.75","0.03","91.62","0.03","117.78","0.03","1663.6","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis(n-tert-butyl-N'(diisopropoxyphosphoryl)-thiocaramido- N',S)nickel(ii)","Bis[n-tert-butyl-N'(diisopropoxyphosphoryl)- thiocaramido-N',S]nickel(II)","","- C22 H48 N4 Ni O6 P2 S2 -","- C22 H48 N4 Ni O6 P2 S2 -","- C44 H96 N8 Ni2 O12 P4 S4 -","2","1","","Sokolov, Felix D.; Baranov, Sergey V.; Safin, Damir A.; Hahn, F. Ekkehardt; Kubiak, Maria; Pape, Tania; Babashkina, Maria G.; Zabirov, Nail G.; Galezowska, Joanna; Kozlowski, Henryk; Cherkasov, Rafael A.","The influence of the intramolecular hydrogen bond on the 1,3-N,S- and 1,5-O,S-coordination of N-phosphoryl-N′-(R)-thioureas with Ni(ii) and Pd(ii)","New Journal of Chemistry","2007","31","9","1661","","10.1039/b702896b","","","0.71073","MoKα","","0.0823","0.0483","","","0.1114","0.1233","","","","","","1.012","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052184","12.194","0.002","8.439","0.002","16.951","0.003","90","","91.55","0.03","90","","1743.7","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Bis(N-(diisopropoxyphosphoryl)-N'-(p-metoxyphenyl) thiocarbamido-N,S)nickel(ii)","Bis[N-(diisopropoxyphosphoryl)-N'-(p-metoxyphenyl) thiocarbamido-N,S]nickel(II)","","- C14 H44 N4 Ni O8 P2 S2 -","- C28 H44 N4 Ni O8 P2 S2 -","- C56 H88 N8 Ni2 O16 P4 S4 -","2","0.5","","Sokolov, Felix D.; Baranov, Sergey V.; Safin, Damir A.; Hahn, F. Ekkehardt; Kubiak, Maria; Pape, Tania; Babashkina, Maria G.; Zabirov, Nail G.; Galezowska, Joanna; Kozlowski, Henryk; Cherkasov, Rafael A.","The influence of the intramolecular hydrogen bond on the 1,3-N,S- and 1,5-O,S-coordination of N-phosphoryl-N′-(R)-thioureas with Ni(ii) and Pd(ii)","New Journal of Chemistry","2007","31","9","1661","","10.1039/b702896b","","","0.71073","MoKα","","0.1451","0.061","","","0.0996","0.1148","","","","","","0.924","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052185","10.403","0.002","8.304","0.002","20.958","0.006","90","","105.78","0.03","90","","1742.3","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Bis(N-(p-bromophenyl)-N'-(diisopropoxyphosphoryl) thiocarbamido-N',S)nickel(ii)","Bis[N-(p-bromophenyl)-N'-(diisopropoxyphosphoryl) thiocarbamido-N',S]nickel(II)","","- C26 H38 Br2 N4 Ni O6 P2 S2 -","- C26 H38 Br2 N4 Ni O6 P2 S2 -","- C52 H76 Br4 N8 Ni2 O12 P4 S4 -","2","0.5","","Sokolov, Felix D.; Baranov, Sergey V.; Safin, Damir A.; Hahn, F. Ekkehardt; Kubiak, Maria; Pape, Tania; Babashkina, Maria G.; Zabirov, Nail G.; Galezowska, Joanna; Kozlowski, Henryk; Cherkasov, Rafael A.","The influence of the intramolecular hydrogen bond on the 1,3-N,S- and 1,5-O,S-coordination of N-phosphoryl-N′-(R)-thioureas with Ni(ii) and Pd(ii)","New Journal of Chemistry","2007","31","9","1661","","10.1039/b702896b","","","0.71073","MoKα","","0.126","0.0542","","","0.0894","0.1083","","","","","","0.997","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052186","18.981","0.004","9.764","0.002","16.498","0.003","90","","97.89","0.03","90","","3028.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Bis(N-(diisopropoxyphosphoryl)-N'-isopropylthiocarbamido- N,S)palladium(ii)","Bis[N-(diisopropoxyphosphoryl)-N'- isopropylthiocarbamido-N,S]palladium(II)","","- C20 H44 N4 O6 P2 Pd S2 -","- C20 H44 N4 O6 P2 Pd S2 -","- C80 H176 N16 O24 P8 Pd4 S8 -","4","1","","Sokolov, Felix D.; Baranov, Sergey V.; Safin, Damir A.; Hahn, F. Ekkehardt; Kubiak, Maria; Pape, Tania; Babashkina, Maria G.; Zabirov, Nail G.; Galezowska, Joanna; Kozlowski, Henryk; Cherkasov, Rafael A.","The influence of the intramolecular hydrogen bond on the 1,3-N,S- and 1,5-O,S-coordination of N-phosphoryl-N′-(R)-thioureas with Ni(ii) and Pd(ii)","New Journal of Chemistry","2007","31","9","1661","","10.1039/b702896b","","","0.71073","MoKα","","0.1088","0.0524","","","0.0693","0.0777","","","","","","1.006","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052187","18.747","0.004","17.566","0.004","19.95","0.004","90","","100.046","0.005","90","","6469","2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Bis(morpholine-N-yl-N`- (diisopropoxyphosphinyl)thiocarboxamide-O,S)palladium(ii)","Bis[morpholine-N-yl-N`- (diisopropoxyphosphinyl)thiocarboxamide-O,S]palladium(II)","","- C22 H44 N4 O8 P2 Pd S2 -","- C22 H44 N4 O8 P2 Pd S2 -","- C176 H352 N32 O64 P16 Pd8 S16 -","8","2","","Sokolov, Felix D.; Baranov, Sergey V.; Safin, Damir A.; Hahn, F. Ekkehardt; Kubiak, Maria; Pape, Tania; Babashkina, Maria G.; Zabirov, Nail G.; Galezowska, Joanna; Kozlowski, Henryk; Cherkasov, Rafael A.","The influence of the intramolecular hydrogen bond on the 1,3-N,S- and 1,5-O,S-coordination of N-phosphoryl-N′-(R)-thioureas with Ni(ii) and Pd(ii)","New Journal of Chemistry","2007","31","9","1661","","10.1039/b702896b","","","0.71073","MoKα","","0.0959","0.0555","","","0.0892","0.1","","","","","","1.036","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052188","9.6504","0.0007","11.4015","0.0008","9.651","0.0007","90","","100.871","0.001","90","","1042.83","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 S2 -","- C10 H8 N2 S2 -","- C40 H32 N8 S8 -","4","1","","Ghazzali, Mohamed; Langer, Vratislav; Lopes, Cesar; Eriksson, Anders; Öhrström, Lars","Syntheses, crystal structures, optical limiting properties, and DFT calculations of three thiophene-2-aldazine Schiff base derivatives","New Journal of Chemistry","2007","31","10","1777","","10.1039/b704009a","","","0.71073","MoKα","","0.0418","0.0346","","","0.0912","0.0973","","","","","","0.994","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052189","4.5456","0.0002","26.9807","0.0013","10.0137","0.0005","90","","97.484","0.001","90","","1217.65","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Br2 N2 S2 -","- C10 H6 Br2 N2 S2 -","- C40 H24 Br8 N8 S8 -","4","1","","Ghazzali, Mohamed; Langer, Vratislav; Lopes, Cesar; Eriksson, Anders; Öhrström, Lars","Syntheses, crystal structures, optical limiting properties, and DFT calculations of three thiophene-2-aldazine Schiff base derivatives","New Journal of Chemistry","2007","31","10","1777","","10.1039/b704009a","","","0.71073","MoKα","","0.0416","0.0304","","","0.073","0.0779","","","","","","0.988","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052190","10.6766","0.0006","11.5253","0.0006","10.2713","0.0006","90","","96.797","0.001","90","","1255.01","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Br2 N2 S2 -","- C10 H6 Br2 N2 S2 -","- C40 H24 Br8 N8 S8 -","4","1","","Ghazzali, Mohamed; Langer, Vratislav; Lopes, Cesar; Eriksson, Anders; Öhrström, Lars","Syntheses, crystal structures, optical limiting properties, and DFT calculations of three thiophene-2-aldazine Schiff base derivatives","New Journal of Chemistry","2007","31","10","1777","","10.1039/b704009a","","","0.71073","MoKα","","0.0854","0.049","","","0.1112","0.1259","","","","","","1.037","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052191","14.294","0.001","14.848","0.001","16.671","0.007","65.42","0.02","86.24","0.02","84.8","0.01","3202.8","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H81 Cl2 O20 V5 -","- C45 H81 Cl2 O20 V5 -","- C90 H162 Cl4 O40 V10 -","2","1","","Sañudo, E. Carolina; Ribas, Joan; Winpenny, Richard E. P.","Solid state synthesis of [V5O2(Me3CCO2)9Cl2]","New Journal of Chemistry","2007","31","8","1421","","10.1039/b704191h","","","0.6933","synchrotron","","0.075","0.0478","","","0.1195","0.1349","","","","","","1.041","","","","has coordinates,has disorder","180075","2020-10-21","18:00:00",""
"7052192","13.184","0.003","5.7697","0.001","18.696","0.004","90","","100.833","0.016","90","","1396.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","","Sanmartín, Jesús; Novio, Fernando; García-Deibe, Ana M.; Fondo, Matilde; Bermejo, Manuel R.","Trimorphism of an asymmetric disulfonamide Schiff base","New Journal of Chemistry","2007","31","9","1605","","10.1039/b704195k","","","1.5418","CuKα","","0.1395","0.0632","","","0.1731","0.2117","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052193","9.0457","0.0015","18.882","0.003","16.057","0.003","90","","105.144","0.003","90","","2647.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 N3 O4 S2 -","- C28 H27 N3 O4 S2 -","- C112 H108 N12 O16 S8 -","4","1","","Sanmartín, Jesús; Novio, Fernando; García-Deibe, Ana M.; Fondo, Matilde; Bermejo, Manuel R.","Trimorphism of an asymmetric disulfonamide Schiff base","New Journal of Chemistry","2007","31","9","1605","","10.1039/b704195k","","","0.71073","MoKα","","0.0832","0.0457","","","0.1168","0.1286","","","","","","1.033","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052194","8.797","0.005","10.788","0.004","14.713","0.008","100.53","0.05","101.7","0.05","100.23","0.06","1310.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N3 O4 S2 -","- C28 H27 N3 O4 S2 -","- C56 H54 N6 O8 S4 -","2","1","","Sanmartín, Jesús; Novio, Fernando; García-Deibe, Ana M.; Fondo, Matilde; Bermejo, Manuel R.","Trimorphism of an asymmetric disulfonamide Schiff base","New Journal of Chemistry","2007","31","9","1605","","10.1039/b704195k","","","1.5418","CuKα","","0.0636","0.0522","","","0.1465","0.1561","","","","","","1.046","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052195","10.2059","0.0006","10.7345","0.0005","12.8784","0.0005","97.962","0.004","95.36","0.005","108.697","0.005","1309.19","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N3 O4 S2 -","- C28 H27 N3 O4 S2 -","- C56 H54 N6 O8 S4 -","2","1","","Sanmartín, Jesús; Novio, Fernando; García-Deibe, Ana M.; Fondo, Matilde; Bermejo, Manuel R.","Trimorphism of an asymmetric disulfonamide Schiff base","New Journal of Chemistry","2007","31","9","1605","","10.1039/b704195k","","","1.54184","CuKα","","0.0581","0.0555","","","0.1596","0.1627","","","","","","1.059","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052196","8.25","0.001","8.25","0.001","7.15","0.001","90","","90","","120","","421.45","0.09","293","2","293","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C6 H11 N3 O3 -","- C6 H11.02 N3.01 O3 -","- C12 H22.04 N6.02 O6 -","2","0.333333","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; van de Streek, Jacco","Solid‒gas reactions between 1,3-dimethylbarbituric acid and amines. A structural and spectroscopic study","New Journal of Chemistry","2007","31","11","1935","","10.1039/b704772j","","","0.71073","MoKα","","0.0503","0.0355","","","0.0926","0.1007","","","","","","1.103","","","","has coordinates,has disorder","180075","2020-10-21","18:00:00",""
"7052197","8.42266","0.00014","6.97215","0.000061","8.06305","0.00013","90","","98.6845","0.0014","90","","468.066","0.012","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","1,3-dimethylbarbiturate methylammonium","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; van de Streek, Jacco","Solid‒gas reactions between 1,3-dimethylbarbituric acid and amines. A structural and spectroscopic study","New Journal of Chemistry","2007","31","11","1935","","10.1039/b704772j","","","1.5406","CuKα","","","","","","","","","","1.23","","","","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052198","8.5","0.002","10.56","0.003","11.412","0.002","65.843","0.017","88.118","0.018","71.467","0.019","880.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N5 O9 -","- C13 H23 N5 O9 -","- C26 H46 N10 O18 -","2","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; van de Streek, Jacco","Solid–gas reactions between 1,3-dimethylbarbituric acid and amines. A structural and spectroscopic study","New Journal of Chemistry","2007","31","11","1935","","10.1039/b704772j","","","0.71073","MoKα","","0.1382","0.0468","","","0.117","0.161","","","","","","0.918","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052199","11.29","0.005","19.761","0.006","8.3","0.003","90","","95.17","","90","","1844.2","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 N6 O6 -","- C14 H24 N6 O6 -","- C56 H96 N24 O24 -","4","0.5","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; van de Streek, Jacco","Solid–gas reactions between 1,3-dimethylbarbituric acid and amines. A structural and spectroscopic study","New Journal of Chemistry","2007","31","11","1935","","10.1039/b704772j","","","0.71073","MoKα","","0.1389","0.0583","","","0.1588","0.2106","","","","","","0.957","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052200","8.495","0.001","12.416","0.002","12.697","0.002","110.082","0.002","95.887","0.002","95.181","0.002","1239.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H31 N7 O9 -","- C20 H31 N7 O9 -","- C40 H62 N14 O18 -","2","1","","Braga, Dario; Cadoni, Marcella; Grepioni, Fabrizia; Maini, Lucia; van de Streek, Jacco","Solid–gas reactions between 1,3-dimethylbarbituric acid and amines. A structural and spectroscopic study","New Journal of Chemistry","2007","31","11","1935","","10.1039/b704772j","","","0.71073","MoKα","","0.0643","0.0457","","","0.1309","0.1453","","","","","","0.834","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052201","5.691","0.001","9.359","0.001","41.058","0.001","90","","90","","90","","2186.8","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br2 O6 -","- C23 H20 Br2 O6 -","- C92 H80 Br8 O24 -","4","1","","Albrecht, Markus; Schmid, Sören; Dehn, Sabrina; Wickleder, Claudia; Zhang, Shuang; Bassett, Andrew P.; Pikramenou, Zoe; Fröhlich, Roland","Diastereoselective formation of luminescent dinuclear lanthanide(iii) helicates with enantiomerically pure tartaric acid derived bis(β-diketonate) ligands","New Journal of Chemistry","2007","31","10","1755","","10.1039/b705090a","","","0.71073","MoKα","","0.0741","0.0424","","","0.0809","0.0913","","","","","","1.013","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052202","19.0372","0.0007","22.9422","0.0007","30.2456","0.0013","90","","90","","90","","13209.9","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C71 H101 N O9 -","- C71 H101 N O9 -","- C568 H808 N8 O72 -","8","1","","Marcos, Paula M.; Félix, Sandra; Ascenso, José R.; Segurado, Manuel A. P.; Thuéry, Pierre; Mellah, Besma; Michel, Sylvia; Hubscher-Bruder, Véronique; Arnaud-Neu, Françoise","Complexation and transport of transition and heavy metal cations by p-tert-butyldihomooxacalix[4]arene tetraketones and X-ray crystal structure of the tert-butyl ketone derivative","New Journal of Chemistry","2007","31","12","2111","","10.1039/b705879a","","","0.71073","MoKα","","0.1381","0.0776","","","0.196","0.2175","","","","","","1.026","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052203","9.884","0.014","11.444","0.014","12.684","0.017","74.4","0.01","77.902","0.01","66.15","0.01","1256","3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Drew, Michael G. B.; Parui, Debarati; De, Senjuti; Chowdhury, Shubhamoy; Datta, Dipankar","A monoaqua zinc complex. Unique acid dissociation behaviour","New Journal of Chemistry","2007","31","10","1763","","10.1039/b706230n","","","0.71073","MoKα","","0.1483","0.0695","","","0.1646","0.2038","","","","","","0.67","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052204","12.7999","0.0011","14.3093","0.0015","17.1281","0.0013","90","","103.118","0.007","90","","3055.3","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 F6 N6 O2 P Zn -","- C30 H27 F6 N6 O2 P Zn -","- C120 H108 F24 N24 O8 P4 Zn4 -","4","1","","Drew, Michael G. B.; Parui, Debarati; De, Senjuti; Chowdhury, Shubhamoy; Datta, Dipankar","A monoaqua zinc complex. Unique acid dissociation behaviour","New Journal of Chemistry","2007","31","10","1763","","10.1039/b706230n","","","0.71073","MoKα","","0.1559","0.0776","","","0.1984","0.212","","","","","","0.872","","","","has coordinates,has disorder","301851","2025-08-21","20:32:40",""
"7052205","10.263","0.011","15.745","0.017","21.37","0.02","90","","103.106","0.01","90","","3363","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cl2 N6 O10 Zn -","- C28 H26 Cl2 N6 O9.99 Zn -","- C112 H104 Cl8 N24 O39.96 Zn4 -","4","1","","Drew, Michael G. B.; Parui, Debarati; De, Senjuti; Chowdhury, Shubhamoy; Datta, Dipankar","A monoaqua zinc complex. Unique acid dissociation behaviour","New Journal of Chemistry","2007","31","10","1763","","10.1039/b706230n","","","0.71073","MoKα","","0.1091","0.0875","","","0.1637","0.1719","","","","","","1.226","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052206","17.8554","0.0009","15.7085","0.0009","17.7912","0.0009","90","","96.224","0.003","90","","4960.7","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 Mn4 N4 O24 P2 -","- C38 H50 Mn4 N4 O24 P2 -","- C152 H200 Mn16 N16 O96 P8 -","4","0.5","","Wang, Mei; Ma, Chengbing; Yuan, Daqiang; Hu, Mingqiang; Chen, Changneng; Liu, Qiutian","Synthesis and characterization of a family of tetranuclear manganese(iii) phosphonate complexes","New Journal of Chemistry","2007","31","12","2103","","10.1039/b706514k","","","0.71073","MoKα","","","0.04","","","0.1101","0.1134","","","","","","1.004","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052207","10.08","0.003","11.084","0.003","11.559","0.003","64.798","0.005","81.789","0.007","82.715","0.006","1153.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H52 Mn4 N4 O23 P2 -","- C32 H50 Mn4 N4 O23 P2 -","- C32 H50 Mn4 N4 O23 P2 -","1","0.5","","Wang, Mei; Ma, Chengbing; Yuan, Daqiang; Hu, Mingqiang; Chen, Changneng; Liu, Qiutian","Synthesis and characterization of a family of tetranuclear manganese(iii) phosphonate complexes","New Journal of Chemistry","2007","31","12","2103","","10.1039/b706514k","","","0.71073","MoKα","","","0.0316","","","0.0855","0.0887","","","","","","0.997","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052208","11.4387","0.0014","11.485","0.0012","11.9747","0.0011","100.459","0.001","103.024","0.004","113.282","0.003","1342","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 Mn4 N4 O24 P2 -","- C38 H48 Mn4 N4 O24 P2 -","- C38 H48 Mn4 N4 O24 P2 -","1","0.5","","Wang, Mei; Ma, Chengbing; Yuan, Daqiang; Hu, Mingqiang; Chen, Changneng; Liu, Qiutian","Synthesis and characterization of a family of tetranuclear manganese(iii) phosphonate complexes","New Journal of Chemistry","2007","31","12","2103","","10.1039/b706514k","","","0.71073","MoKα","","","0.0558","","","0.1564","0.1726","","","","","","1.053","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052209","18.0431","0.0007","11.0649","0.0003","21.7461","0.0009","90","","91.002","0.002","90","","4340.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H72 Mn4 N6 O24 P2 -","- C86 H66 Mn4 N6 O24 P2 -","- C172 H132 Mn8 N12 O48 P4 -","2","0.5","","Wang, Mei; Ma, Chengbing; Yuan, Daqiang; Hu, Mingqiang; Chen, Changneng; Liu, Qiutian","Synthesis and characterization of a family of tetranuclear manganese(iii) phosphonate complexes","New Journal of Chemistry","2007","31","12","2103","","10.1039/b706514k","","","0.71073","MoKα","","","0.0409","","","0.1143","0.1208","","","","","","1.005","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052210","27.766","0.0014","11.5247","0.0006","21.2342","0.001","90","","94.895","0.002","90","","6770.1","0.6","163.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H76 Na2 O50 S12 -","- C36 H18 Na2 O46.5 S12 -","- C144 H72 Na8 O186 S48 -","4","0.5","","Yamada, Manabu; Kondo, Yoshihiko; Akimoto, Kazuhiko; Kabuto, Chizuko; Hamada, Fumio","Supramolecular assembly based on p-sulfonatothiacalix[6]arene with sodium and water molecules","New Journal of Chemistry","2007","31","11","1874","","10.1039/b706891c","","","0.71069","MoKα","","","0.1034","","","","0.2714","","","","","","1.128","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052211","26.349","0.005","12.877","0.003","25.364","0.005","90","","111.33","0.05","90","","8016","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H79 Mn5 N15 Na2 O26 S4 -","- C61 H79 Mn5 N15 Na2 O26 S4 -","- C244 H316 Mn20 N60 Na8 O104 S16 -","4","1","","Beghidja, Chahrazed; Rogez, Guillaume; Welter, Richard","Synthesis, crystal structure and magnetic properties of a new mixed-valence [Mn4IIIMnII] pentanuclear complex","New Journal of Chemistry","2007","31","8","1403","","10.1039/b707170a","","","0.71069","MoKα","","0.153","0.0847","","","0.1264","0.1569","","","","","","1.114","","","","has coordinates,has disorder","180076","2020-10-21","18:00:00",""
"7052212","17.118","0.004","11.668","0.003","18.793","0.005","90","","99.925","0.006","90","","3697.4","1.6","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H41 F6 Fe N2 Ni O2 P Ru -","- C33 H37 F6 Fe N2 Ni O2 P Ru -","- C132 H148 F24 Fe4 N8 Ni4 O8 P4 Ru4 -","4","1","","Fuentealba, Mauricio; Hamon, Jean-René; Carrillo, David; Manzur, Carolina","Trinuclear π-conjugated chromophores formed by a neutral ferrocenyl group and a cationic mixed ruthenium sandwich linked through an unsymmetrical Schiff-base complex spacer","New Journal of Chemistry","2007","31","10","1815","","10.1039/b707934f","","","0.71073","MoKα","","0.2755","0.0844","","","0.1926","0.2538","","","","","","0.801","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052213","11.0723","0.001","9.9509","0.0009","18.5611","0.0017","90","","106.637","0.001","90","","1959.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Fe N2 Ni O2 -","- C23 H22 Fe N2 Ni O2 -","- C92 H88 Fe4 N8 Ni4 O8 -","4","1","","Fuentealba, Mauricio; Hamon, Jean-René; Carrillo, David; Manzur, Carolina","Trinuclear π-conjugated chromophores formed by a neutral ferrocenyl group and a cationic mixed ruthenium sandwich linked through an unsymmetrical Schiff-base complex spacer","New Journal of Chemistry","2007","31","10","1815","","10.1039/b707934f","","","0.71073","MoKα","","0.0573","0.0438","","","0.109","0.117","","","","","","1.043","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052214","7.4291","0.0004","9.8933","0.0006","11.8779","0.0007","73.116","0.003","78.757","0.003","86.088","0.004","819.28","0.08","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Compound X","","","- C11 H11 Fe2 N O7 S2 -","- C11 H11 Fe2 N O7 S2 -","- C22 H22 Fe4 N2 O14 S4 -","2","1","","Capon, Jean-François; Ezzaher, Salah; Gloaguen, Frédéric; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Davin, Thomas J.; McGrady, John E.; Muir, Kenneth W.","Electrochemical and theoretical investigations of the reduction of [Fe2(CO)5L{µ-SCH2XCH2S}] complexes related to [FeFe] hydrogenase","New Journal of Chemistry","2007","31","12","2052","","10.1039/b709273c","","x-ray","0.71073","MoKα","","0.0386","0.0299","","","0.0747","0.0799","","","","","","1.091","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052215","44.988","0.018","9.206","0.004","16.552","0.006","90","","108.938","0.007","90","","6484","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 Fe N O11 -","- C31 H45 Fe N O11 -","- C248 H360 Fe8 N8 O88 -","8","1","","McKeogh, Ian; Hill, Jonathan P.; Collins, Emily S.; McCabe, Thomas; Powell, Annie K.; Schmitt, Wolfgang","Self-assembly of FeIII complexes via hydrogen bonded water molecules into supramolecular coordination networks","New Journal of Chemistry","2007","31","11","1882","","10.1039/b711185a","","","0.71073","MoKα","","0.0518","0.0393","","","0.1042","0.1143","","","","","","1.097","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052216","9.25","0.002","12.011","0.003","14.326","0.004","90","","92.618","0.003","90","","1590","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15.5 Cd1.5 N5 O5.75 -","- C11 H14 Cd1.5 N5 O5.75 -","- C44 H56 Cd6 N20 O23 -","4","1","","Yang, En-Cui; Zhao, Hong-Kun; Ding, Bin; Wang, Xiu-Guang; Zhao, Xiao-Jun","The first 2D trinuclear Cd(ii)-complex with adenine nucleobase: hydrothermal synthesis, crystal structure and fluorescent properties","New Journal of Chemistry","2007","31","11","1887","","10.1039/b712387f","","","0.71073","MoKα","","0.0511","0.0362","","","0.0836","0.0918","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052217","21.66","0.004","4.7544","0.0009","9.9321","0.0019","90","","93.912","0.003","90","","1020.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-((1-pyrazolyl)methyl)benzamide","4-[(1-pyrazolyl)methyl]benzamide","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Aakeröy, Christer B.; Scott, Benjamin M. T.; Desper, John","How robust is the hydrogen-bonded amide ‘ladder’ motif?","New Journal of Chemistry","2007","31","12","2044","","10.1039/b715610c","","","0.71073","MoKα","","0.1042","0.0522","","","0.1146","0.1342","","","","","","0.974","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052218","8.4005","0.0007","8.0671","0.0007","18.0477","0.0018","90","","102.621","0.006","90","","1193.5","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-((3,5-dimethylpyrazol-1-yl)methyl)benzamide","4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide","","- C13 H15 N3 O -","- C13 H15 N3 O -","- C52 H60 N12 O4 -","4","1","","Aakeröy, Christer B.; Scott, Benjamin M. T.; Desper, John","How robust is the hydrogen-bonded amide ‘ladder’ motif?","New Journal of Chemistry","2007","31","12","2044","","10.1039/b715610c","","","0.71073","MoKα","","0.0892","0.0491","","","0.1184","0.1309","","","","","","0.934","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052219","12.437","0.003","8.8195","0.0017","12.468","0.002","90","","114.488","0.006","90","","1244.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BS-3-93-3G 3-((4-bromo-3,5-dimethylpyrazol-1- yl)methyl)benzamide, succinic acid","BS-3-93-3G 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide, succinic acid","","- C13 H14 Br N3 O -","- C13 H14 Br N3 O -","- C52 H56 Br4 N12 O4 -","4","1","","Aakeröy, Christer B.; Scott, Benjamin M. T.; Desper, John","How robust is the hydrogen-bonded amide ‘ladder’ motif?","New Journal of Chemistry","2007","31","12","2044","","10.1039/b715610c","","","0.71073","MoKα","","0.0319","0.0234","","","0.0588","0.0622","","","","","","1.026","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052220","7.7873","0.0005","8.113","0.0006","8.84","0.0006","77.6614","0.0013","74.4604","0.0013","68.3976","0.0012","496.14","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3-((1-pyrazolyl)methyl)benzamide","3-[(1-pyrazolyl)methyl]benzamide","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C22 H22 N6 O2 -","2","1","","Aakeröy, Christer B.; Scott, Benjamin M. T.; Desper, John","How robust is the hydrogen-bonded amide ‘ladder’ motif?","New Journal of Chemistry","2007","31","12","2044","","10.1039/b715610c","","","0.71073","MoKα","","0.0489","0.0449","","","0.1249","0.1292","","","","","","1.081","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052221","8.0162","0.0004","8.0603","0.0004","10.4542","0.0005","97.253","0.002","106.06","0.002","109.335","0.002","594.57","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","BS-3-92-4 3-((3,5-dimethylpyrazol-1-yl)methyl)benzamide","BS-3-92-4 3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide","","- C13 H15 N3 O -","- C13 H15 N3 O -","- C26 H30 N6 O2 -","2","1","","Aakeröy, Christer B.; Scott, Benjamin M. T.; Desper, John","How robust is the hydrogen-bonded amide ‘ladder’ motif?","New Journal of Chemistry","2007","31","12","2044","","10.1039/b715610c","","","0.71073","MoKα","","0.0556","0.0434","","","0.1205","0.1299","","","","","","1.083","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052222","8.9062","0.0012","11.6933","0.0018","14.146","0.002","73.396","0.01","74.274","0.009","70.553","0.009","1305.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","BS-3-93-4f 3-((3-bromo-2,4-dimethylpyrazol-1- yl)methyl)benzamide","BS-3-93-4f 3-[(3-bromo-2,4-dimethylpyrazol-1-yl)methyl]benzamide","","- C13 H14 Br N3 O -","- C13 H14 Br N3 O -","- C52 H56 Br4 N12 O4 -","4","2","","Aakeröy, Christer B.; Scott, Benjamin M. T.; Desper, John","How robust is the hydrogen-bonded amide ‘ladder’ motif?","New Journal of Chemistry","2007","31","12","2044","","10.1039/b715610c","","","0.71073","MoKα","","0.145","0.0704","","","0.1928","0.2376","","","","","","1.033","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7053692","7.4575","0.0012","11.6882","0.0012","12.8664","0.0015","114.651","0.01","94.767","0.011","101.729","0.01","980.1","0.2","150","","150","","","","","","","","see text","4","P -1","-P 1","2","","","","- C8 H11 N5 O3 -","- C8 H11 N5 O3 -","- C32 H44 N20 O12 -","4","2","","Corral, Eva; Kooijman, Huub; Spek, Anthony L.; Reedijk, Jan","Nucleic acids in two dimensions: layers of base pairs linked by carboxylate","New Journal of Chemistry","2007","31","1","21","","10.1039/b613845d","","x-ray","0.71073","MoKα","","0.0673","0.0515","","","0.1417","0.154","","","","","","1.085","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053693","9.7867","0.001","28.1721","0.0026","15.7764","0.0016","90","","94.616","0.004","90","","4335.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cis- and trans-bis(benzoylacetonato)pyridinecopper(ii)","cis- and trans-bis(benzoylacetonato)pyridinecopper(II)","","- C25 H23 Cu N O4 -","- C25 H23 Cu N O4 -","- C200 H184 Cu8 N8 O32 -","8","2","","Lennartson, Anders; Håkansson, Mikael; Jagner, Susan","cis- and trans-Bis(benzoylacetonato)pyridinecopper(ii): co-crystallisation of isomers and reversible pyridine loss with retention of crystallinity","New Journal of Chemistry","2007","31","3","344","347","10.1039/b615579k","","","0.71073","MoKα","","0.0332","0.03","","","0.072","0.0739","","","","","","0.855","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053694","16.449","0.002","28.272","0.004","29.144","0.004","90","","90.614","0.003","90","","13553","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C145 H147.5 N13.5 O26.5 Zn8 -","- C149.25 H135.5 N8.5 O26.5 Zn8 -","- C597 H542 N34 O106 Zn32 -","4","1","","Power, Nicholas P.; Dalgarno, Scott J.; Atwood, Jerry L.","Robust and stable pyrogallol[4]arene molecular capsules facilitated via an octanuclear zinc coordination belt","New Journal of Chemistry","2007","31","1","17","","10.1039/b615947h","","","0.71073","MoKα","","0.0932","0.0566","","","0.1555","0.1868","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053695","9.2003","0.0004","16.578","0.0008","20.418","0.001","90","","101.307","0.001","90","","3053.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 F3 N2 O18 Re3 S4 -","- C18 F3 N2 O18 Re3 S4 -","- C72 F12 N8 O72 Re12 S16 -","4","1","","Tzeng, Biing-Chiau; Wu, Ya-Ling; Lee, Gene-Hsiang; Peng, Shie-Ming","A novel trinuclear Re(i) complex containing 1,3,4-thiadiazole-2,5-dithiolate: structural and spectroscopic properties","New Journal of Chemistry","2007","31","2","199","","10.1039/b616122g","","","0.71073","MoKα","","0.0509","0.0383","","","0.0692","0.0728","","","","","","1.053","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053696","9.1246","0.001","20.319","0.002","47.951","0.005","90","","90","","90","","8890.2","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N8 O5.08 S2 -","- C27 H36 N8 O5.08333 S2 -","- C324 H432 N96 O61 S24 -","12","3","","Blondeau, Pascal; Benet-Buchholz, Jordi; de Mendoza, Javier","Enthalpy driven nitrate complexation by guanidinium-based macrocycles","New Journal of Chemistry","2007","31","5","736","","10.1039/b616409a","","","0.71073","MoKα","","0.105","0.0752","","","0.1644","0.1787","","","","","","1.091","","","","has coordinates,has disorder","180090","2020-10-21","18:00:00",""
"7053697","10.857","0.0015","12.4706","0.0016","12.9263","0.0016","98.088","0.003","112.786","0.003","107.966","0.003","1465.8","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H38 N8 O5 S2 -","- C28 H38 N8 O5 S2 -","- C56 H76 N16 O10 S4 -","2","2","","Blondeau, Pascal; Benet-Buchholz, Jordi; de Mendoza, Javier","Enthalpy driven nitrate complexation by guanidinium-based macrocycles","New Journal of Chemistry","2007","31","5","736","","10.1039/b616409a","","","0.71073","MoKα","","0.0863","0.0812","","","0.2163","0.2213","","","","","","1.026","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053698","12.8416","0.001","8.7033","0.0007","13.7476","0.0011","90","","96.649","0.002","90","","1526.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H40 N8 O5 S2 -","- C29 H40 N8 O5 S2 -","- C58 H80 N16 O10 S4 -","2","1","","Blondeau, Pascal; Benet-Buchholz, Jordi; de Mendoza, Javier","Enthalpy driven nitrate complexation by guanidinium-based macrocycles","New Journal of Chemistry","2007","31","5","736","","10.1039/b616409a","","","0.71073","MoKα","","0.0346","0.0329","","","0.0881","0.0897","","","","","","1.032","","","","has coordinates,has disorder","180090","2020-10-21","18:00:00",""
"7053699","10.7122","0.0009","11.9131","0.001","12.4072","0.001","105.252","0.002","93.448","0.002","113.481","0.002","1376.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46 Er2 N4 O12 -","- C66 H46 Er2 N4 O12 -","- C66 H46 Er2 N4 O12 -","1","0.5","","Song, Limei; Wang, Qi; Tang, Daihua; Liu, Xinhou; Zhen, Zhen","Crystal structure and near-infrared luminescence properties of novel binuclear erbium and erbium?ytterbium cocrystalline complexes","New Journal of Chemistry","2007","31","4","506","","10.1039/b616422f","","","0.71073","MoKα","","0.0281","0.0253","","","0.065","0.0666","","","","","","1.049","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053700","10.1714","0.0003","10.1756","0.0003","13.1069","0.0004","107.535","0.002","92.714","0.002","91.38","0.002","1291.03","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H37.8 N4 O1.9 -","- C29 H37.8 N4 O1.9 -","- C58 H75.6 N8 O3.8 -","2","1","","Dehaen, Wim; Gale, Philip A.; García-Garrido, Sergio E.; Kostermans, Maarten; Light, Mark E.","Anion recognition by N-confused calix[4]pyrrole-α-carbaldehyde and its Knoevenagel reaction derivatives","New Journal of Chemistry","2007","31","5","691","","10.1039/b616467f","","","0.71073","MoKα","","0.1112","0.0693","","","0.1779","0.2009","","","","","","0.967","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053701","19.7663","0.0015","11.8837","0.0008","15.7559","0.0014","90","","106.807","0.004","90","","3542.9","0.5","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C42 H41.5 N6.5 O -","- C42 H41.5 N6.5 O -","- C168 H166 N26 O4 -","4","1","","Dehaen, Wim; Gale, Philip A.; García-Garrido, Sergio E.; Kostermans, Maarten; Light, Mark E.","Anion recognition by N-confused calix[4]pyrrole-α-carbaldehyde and its Knoevenagel reaction derivatives","New Journal of Chemistry","2007","31","5","691","","10.1039/b616467f","","","0.71073","MoKα","","0.2209","0.0907","","","0.2159","0.2756","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053702","10.146","0.0002","26.3142","0.0009","26.8959","0.0009","90","","98.04","0.002","90","","7110.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H48 N4 O5 S -","- C37 H48 N4 O5 S -","- C296 H384 N32 O40 S8 -","8","2","","Dehaen, Wim; Gale, Philip A.; García-Garrido, Sergio E.; Kostermans, Maarten; Light, Mark E.","Anion recognition by N-confused calix[4]pyrrole-α-carbaldehyde and its Knoevenagel reaction derivatives","New Journal of Chemistry","2007","31","5","691","","10.1039/b616467f","","","0.71073","MoKα","","0.195","0.1076","","","0.2649","0.3182","","","","","","0.905","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7053703","10.3228","0.0004","11.9213","0.0004","15.8916","0.0006","71.948","0.002","88.95","0.002","74.63","0.002","1788.52","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","para-butylcalix(4)arene","","","- C44 H56 O4 -","- C44 H56 O4 -","- C88 H112 O8 -","2","1","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","?-C?O provides access to the cavity in acyl calix[4]arenes: A comparative study of crystal structures","New Journal of Chemistry","2007","31","6","871","","10.1039/b700308k","","","0.7107","MoKα","","0.1102","0.0696","","","0.1891","0.2191","","","","","","1.069","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7053704","11.0862","0.0015","14.413","0.002","14.802","0.002","78.182","0.002","74.463","0.002","88.892","0.002","2228.8","0.5","125","2","125","2","","","","","","","","3","P -1","-P 1","2","para-n-hexylcalix(4)arene","","","- C52 H72 O4 -","- C52 H72 O4 -","- C104 H144 O8 -","2","1","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","?-C?O provides access to the cavity in acyl calix[4]arenes: A comparative study of crystal structures","New Journal of Chemistry","2007","31","6","871","","10.1039/b700308k","","","0.7107","MoKα","","0.0628","0.0465","","","0.1263","0.141","","","","","","1.031","","","","has coordinates,has disorder","301851","2025-08-21","20:32:45",""
"7053705","11.611","0.003","17.372","0.004","33.165","0.007","88.536","0.003","88.251","0.004","87.077","0.004","6676","3","125","2","125","2","","","","","","","","3","P -1","-P 1","2","para-hexanoylcalix(4)arene","","","- C52 H64 O8 -","- C52 H64 O8 -","- C312 H384 O48 -","6","3","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","?-C?O provides access to the cavity in acyl calix[4]arenes: A comparative study of crystal structures","New Journal of Chemistry","2007","31","6","871","","10.1039/b700308k","","","0.7107","MoKα","","0.1089","0.0685","","","0.1869","0.2156","","","","","","0.989","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7053706","12.053","0.003","12.441","0.003","16.015","0.003","91.504","0.003","99.841","0.003","95.036","0.003","2354.9","0.9","398","2","125","2","","","","","","","","3","P -1","-P 1","2","para-hexanoylcalix(4)arene","","","- C54 H70 O9 -","- C54 H70 O9 -","- C108 H140 O18 -","2","1","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","?-C?O provides access to the cavity in acyl calix[4]arenes: A comparative study of crystal structures","New Journal of Chemistry","2007","31","6","871","","10.1039/b700308k","","","0.7107","MoKα","","0.1063","0.0742","","","0.2076","0.226","","","","","","1.058","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053707","9.0322","0.0007","13.6639","0.0011","15.2661","0.0012","86.472","0.001","76.962","0.001","86.25","0.001","1829.4","0.3","125","2","125","2","","","","","","","","3","P -1","-P 1","2","parabutanoylcalix(4)arene","","","- C44 H48 O8 -","- C44 H48 O8 -","- C88 H96 O16 -","2","1","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","?-C?O provides access to the cavity in acyl calix[4]arenes: A comparative study of crystal structures","New Journal of Chemistry","2007","31","6","871","","10.1039/b700308k","","","0.7107","MoKα","","0.0493","0.0436","","","0.1211","0.1273","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053708","11.63","0.002","15.163","0.003","33.741","0.006","90","","99.117","0.003","90","","5874.9","1.9","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","para-decanoylcalix(4)arene","","","- C68 H96 O8 -","- C68 H96 O8 -","- C272 H384 O32 -","4","1","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","?-C?O provides access to the cavity in acyl calix[4]arenes: A comparative study of crystal structures","New Journal of Chemistry","2007","31","6","871","","10.1039/b700308k","","","0.7107","MoKα","","0.1637","0.1234","","","0.278","0.29","","","","","","1.126","","","","has coordinates,has disorder","301851","2025-08-21","20:32:45",""
"7053709","21.7615","0.0012","15.6647","0.0008","32.8323","0.0016","90","","107.905","0.003","90","","10650.1","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","para-octanoylcalix(4)arene","","","- C60 H80 O8 -","- C60 H80 O8 -","- C480 H640 O64 -","8","2","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","?-C?O provides access to the cavity in acyl calix[4]arenes: A comparative study of crystal structures","New Journal of Chemistry","2007","31","6","871","","10.1039/b700308k","","","0.7107","MoKα","","0.1881","0.0839","","","0.2006","0.2921","","","","","","1.027","","","","has coordinates,has disorder","180091","2020-10-21","18:00:00",""
"7053710","11.2883","0.0004","13.0045","0.0004","14.3048","0.0006","84.252","0.002","82.162","0.002","88.661","0.002","2069.75","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","bis(ethylenediamine)diaquacopper(ii) catena- bis(ethylenediamine) (aqua)copper(ii)(mu- aqua)bis((triaqua)tetrakis(malonomonohydroxate) pentacopper(ii)) hydrate","bis(ethylenediamine)diaquacopper(II) catena-bis(ethylenediamine) (aqua)copper(II)(mu-aqua)bis((triaqua)tetrakis(malonomonohydroxate) pentacopper(II)) hydrate","","- C16 H54 Cu6 N8 O31 -","- C16 H54 Cu6 N8 O31 -","- C32 H108 Cu12 N16 O62 -","2","1","","Gumienna-Kontecka, Elzbieta; Golenya, Irina A.; Dudarenko, Nikolay M.; Dobosz, Agnieszka; Haukka, Matti; Fritsky, Igor O.; Swiatek-Kozlowska, Jolanta","A new Cu(ii) [12]metallocrown-4 pentanuclear complex based on a Cu(ii)-malonomonohydroxamic acid unit","New Journal of Chemistry","2007","31","10","1798","","10.1039/b701600j","","","0.71073","MoKα","","0.0811","0.0434","","","0.0933","0.1063","","","","","","1.027","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053711","23.2509","0.0016","23.2509","0.0016","11.492","0.0016","90","","90","","90","","6212.6","1.1","130","2","130","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C22 H53 N3 O2.5 Os P2 Si2 -","- C22 H53 N3 O2.5 Os P2 Si2 -","- C176 H424 N24 O20 Os8 P16 Si16 -","8","1","","Lee, Joo-Ho; Fan, Hongjun; Pink, Maren; Caulton, Kenneth G.","Reactivity of ?NO with an osmium polyhydride: Reductive elimination and reductive nitrosylation on the path from odd- to even-electron molecules","New Journal of Chemistry","2007","31","6","838","","10.1039/b702078c","","","0.71073","MoKα","","0.0331","0.0252","","","0.0593","0.0631","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053713","12.921","0.002","8.1511","0.0015","16.069","0.003","90","","96.767","0.003","90","","1680.6","0.5","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N5 -","- C20 H19 N5 -","- C80 H76 N20 -","4","1","","Chen, Yong; Fu, Wen-Fu; Li, Jun-Li; Zhao, Xi-Juan; Ou, Xue-Mei","Conformation impact on spectral properties of bis(5,7-dimethyl-1,8-naphthyridin-2-yl)amine and its ZnII complex","New Journal of Chemistry","2007","31","10","1785","","10.1039/b705149b","","","0.71073","MoKα","","0.0672","0.0431","","","0.1102","0.1291","","","","","","1.01","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053714","12.609","0.003","15.421","0.003","14.505","0.003","90","","110.09","0.03","90","","2648.8","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Cl2 N5 O4 Zn -","- C25 H27 Cl2 N5 O4 Zn -","- C100 H108 Cl8 N20 O16 Zn4 -","4","1","","Chen, Yong; Fu, Wen-Fu; Li, Jun-Li; Zhao, Xi-Juan; Ou, Xue-Mei","Conformation impact on spectral properties of bis(5,7-dimethyl-1,8-naphthyridin-2-yl)amine and its ZnII complex","New Journal of Chemistry","2007","31","10","1785","","10.1039/b705149b","","","0.71073","MoKα","","0.0814","0.0627","","","0.1211","0.1278","","","","","","1.142","","","","has coordinates","301851","2025-08-21","20:32:45",""
"7053724","28.9049","0.0014","28.9049","0.0014","21.444","0.002","90","","90","","120","","15516","1.8","150","2","150","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C18.5 H14.5 N0.5 O12 -","- C10 H7 O3.5 -","- C240 H168 O84 -","24","1","","Dalgarno, Scott J.; Warren, John E.; Antesberger, Jochen; Glass, Timothy E.; Atwood, Jerry L.","Large diameter non-covalent nanotubes based on the self-assembly of para-carboxylatocalix[4]arene","New Journal of Chemistry","2007","31","","1891","1894","10.1039/B712800B","","x-ray","0.671","synchrotron","","0.3731","0.3692","","","0.75","0.7561","","","","","","8.178","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053725","28.9049","0.0014","28.9049","0.0014","21.444","0.002","90","","90","","120","","15516","1.8","296","2","150","2","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- C18.5 H14.5 N0.5 O12 -","- C17.25 O5 -","- C414 O120 -","24","1","","Dalgarno, Scott J.; Warren, John E.; Antesberger, Jochen; Glass, Timothy E.; Atwood, Jerry L.","Large diameter non-covalent nanotubes based on the self-assembly of para-carboxylatocalix[4]arene","New Journal of Chemistry","2007","31","","1891","1894","10.1039/B712800B","","x-ray","0.671","synchrotron","","0.2663","0.2609","","","0.6108","0.6184","","","","","","5.895","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054165","12.261","0.005","13.887","0.006","20.738","0.008","89.996","0.007","88.163","0.007","85.016","0.007","3516","2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 Cl2 N4 O21.5 Zn4 -","- C54 H69 Cl2 N4 O21.5 Zn4 -","- C108 H138 Cl4 N8 O43 Zn8 -","2","1","","Chen, Zhanfen; Wang, Xiaoyong; Chen, Jingwen; Yang, Xiaoliang; Li, Yizhi; Guo, Zijian","Selective sensing of dihydrogen phosphate anion by a fluorescent tetranuclear pentacoordinated zinc(ii) complex","New Journal of Chemistry","2007","31","3","357","","10.1039/b616451j","","","0.71073","MoKα","","0.0884","0.061","","","0.1207","0.1268","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054166","8.7192","0.0007","26.3","0.001","15.251","0.002","90","0.005","91.521","0.006","90","0.004","3496.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","awc8040_KS","","","- C64 H56 Br8 O9 -","- C64 H56 Br8 O9 -","- C128 H112 Br16 O18 -","2","0.5","","Perret, Florent; Suwinska, Kinga; Bertino Ghera, Bernard; Parrot-Lopez, Hélène; Coleman, Anthony W.","Synthesis, solid state structures and interfacial properties of new para-phosphonato-O-alkoxy-calix[8]arene derivatives","New Journal of Chemistry","2007","31","6","893","900","10.1039/b616480n","","","0.71073","MoKα","","0.147","0.085","","","0.237","0.2693","","","","","","1.032","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054167","15.8507","0.0003","16.6896","0.0003","18.4507","0.0004","107.079","0.001","90.82","0.001","114.725","0.001","4184.8","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","awc8044","","","- C88 H104 Br8 O8 -","- C88 H104 Br8 O8 -","- C176 H208 Br16 O16 -","2","1","","Perret, Florent; Suwinska, Kinga; Bertino Ghera, Bernard; Parrot-Lopez, Hélène; Coleman, Anthony W.","Synthesis, solid state structures and interfacial properties of new para-phosphonato-O-alkoxy-calix[8]arene derivatives","New Journal of Chemistry","2007","31","6","893","900","10.1039/b616480n","","","0.71073","MoKα","","0.119","0.079","","","0.164","0.181","","","","","","1.07","","","","has coordinates,has disorder","301851","2025-08-21","20:32:46",""
"7054168","14.752","0.001","5.7461","0.0002","17.339","0.001","90","","90.87","0.01","90","","1469.6","0.14","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,5-bis(phenylethynyl)thiophene","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","1","","Siddle, Jamie S.; Ward, Richard M.; Collings, Jonathan C.; Rutter, Simon R.; Porrés, Laurent; Applegarth, Lucas; Beeby, Andrew; Batsanov, Andrei S.; Thompson, Amber L.; Howard, Judith A. K.; Boucekkine, Abdou; Costuas, Karine; Halet, Jean-François; Marder, Todd B.","Synthesis, photophysics and molecular structures of luminescent 2,5-bis(phenylethynyl)thiophenes (BPETs)","New Journal of Chemistry","2007","31","6","841","851","10.1039/b701172e","","","0.71073","MoKα","","0.1032","0.0497","","","0.1042","0.1272","","","","","","1.01","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054169","16.0717","0.0015","5.0902","0.0005","21.2336","0.0019","90","","112.217","0.01","90","","1608.1","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,5-bis(p-methylphenylethynyl)thiophene","","- C22 H16 S -","- C22 H16 S -","- C88 H64 S4 -","4","1","","Siddle, Jamie S.; Ward, Richard M.; Collings, Jonathan C.; Rutter, Simon R.; Porrés, Laurent; Applegarth, Lucas; Beeby, Andrew; Batsanov, Andrei S.; Thompson, Amber L.; Howard, Judith A. K.; Boucekkine, Abdou; Costuas, Karine; Halet, Jean-François; Marder, Todd B.","Synthesis, photophysics and molecular structures of luminescent 2,5-bis(phenylethynyl)thiophenes (BPETs)","New Journal of Chemistry","2007","31","6","841","851","10.1039/b701172e","","","0.71073","MoKα","","0.0688","0.0464","","","0.1001","0.1087","","","","","","1.022","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054170","7.1798","0.0008","45.453","0.004","5.8879","0.0004","90","","90","","90","","1921.5","0.3","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,5-bis(p-carbomethoxyphenylethynyl)thiophene","","- C24 H16 O4 S -","- C24 H16 O4 S -","- C96 H64 O16 S4 -","4","1","","Siddle, Jamie S.; Ward, Richard M.; Collings, Jonathan C.; Rutter, Simon R.; Porrés, Laurent; Applegarth, Lucas; Beeby, Andrew; Batsanov, Andrei S.; Thompson, Amber L.; Howard, Judith A. K.; Boucekkine, Abdou; Costuas, Karine; Halet, Jean-François; Marder, Todd B.","Synthesis, photophysics and molecular structures of luminescent 2,5-bis(phenylethynyl)thiophenes (BPETs)","New Journal of Chemistry","2007","31","6","841","851","10.1039/b701172e","","","0.71073","MoKα","","0.0504","0.0463","","","0.1135","0.1159","","","","","","1.039","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054171","4.9212","0.0007","31.274","0.004","11.3413","0.0015","90","","101.83","0.01","90","","1708.4","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-bis(pentafluorophenylethynyl)thiophene","","- C20 H2 F10 S -","- C20 H2 F10 S -","- C80 H8 F40 S4 -","4","1","","Siddle, Jamie S.; Ward, Richard M.; Collings, Jonathan C.; Rutter, Simon R.; Porrés, Laurent; Applegarth, Lucas; Beeby, Andrew; Batsanov, Andrei S.; Thompson, Amber L.; Howard, Judith A. K.; Boucekkine, Abdou; Costuas, Karine; Halet, Jean-François; Marder, Todd B.","Synthesis, photophysics and molecular structures of luminescent 2,5-bis(phenylethynyl)thiophenes (BPETs)","New Journal of Chemistry","2007","31","6","841","851","10.1039/b701172e","","","0.71073","MoKα","","0.0652","0.0474","","","0.1028","0.11","","","","","","1.099","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054172","14.566","0.002","25.954","0.003","25.644","0.003","90","","99.295","0.002","90","","9567","2","153","2","153","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C76 H115 O44 P2 S4 Yb -","- C76 H59 O44.01 P2 S4 Yb -","- C304 H236 O176.04 P8 S16 Yb4 -","4","2","","Makha, Mohamed; Alias, Yatimah; Raston, Colin L.; Sobolev, Alexandre N.","Controlling the interplay of large organic ions: para-sulfonato-calix[4]arene and phosphonium cations","New Journal of Chemistry","2007","31","5","662","","10.1039/b615639h","","","0.71073","MoKα","","0.1869","0.1476","","","0.3611","0.3923","","","","","","1.113","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054173","32.032","0.005","11.43","0.002","50.944","0.007","90","","91.744","0.002","90","","18643","5","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C156 H180 Cl Gd2.67 Na2 O78 P3 S12 -","- C156 H120 Cl Gd2.66 Na2 O78 P3 S12 -","- C624 H480 Cl4 Gd10.64 Na8 O312 P12 S48 -","4","1","","Makha, Mohamed; Alias, Yatimah; Raston, Colin L.; Sobolev, Alexandre N.","Controlling the interplay of large organic ions: para-sulfonato-calix[4]arene and phosphonium cations","New Journal of Chemistry","2007","31","5","662","","10.1039/b615639h","","","0.71073","MoKα","","0.2607","0.1206","","","0.2897","0.3779","","","","","","1.063","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054174","14.624","0.001","19.987","0.002","25.192","0.002","67.801","0.001","74.982","0.001","89.74","0.001","6548.7","1","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C217 H314 Cl Gd5.33 O132 P4 S16 -","- C217 H188 Cl Gd5.34 O132 P4 S16 -","- C217 H188 Cl Gd5.34 O132 P4 S16 -","1","0.5","","Makha, Mohamed; Alias, Yatimah; Raston, Colin L.; Sobolev, Alexandre N.","Controlling the interplay of large organic ions: para-sulfonato-calix[4]arene and phosphonium cations","New Journal of Chemistry","2007","31","5","662","","10.1039/b615639h","","","0.71073","MoKα","","0.0874","0.0699","","","0.1794","0.195","","","","","","1.048","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054175","12.6687","0.0008","14.9526","0.0009","18.497","0.002","96.405","0.007","100.594","0.008","107.678","0.006","3228.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H59.5 O33.5 P S4 Yb -","- C53 H42 O33.5 P S4 Yb -","- C106 H84 O67 P2 S8 Yb2 -","2","1","","Makha, Mohamed; Alias, Yatimah; Raston, Colin L.; Sobolev, Alexandre N.","Controlling the interplay of large organic ions: para-sulfonato-calix[4]arene and phosphonium cations","New Journal of Chemistry","2007","31","5","662","","10.1039/b615639h","","","0.71073","MoKα","","0.0835","0.0556","","","0.1384","0.1498","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054176","10.747","0.0002","13.1706","0.0002","18.122","0.0004","90","","90","","90","","2565.07","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-[tris(5-tertbutylpyrazole)sulfatocobalt(II)]","","- C21 H36 Co N6 O4 S -","- C21 H36 Co N6 O4 S -","- C84 H144 Co4 N24 O16 S4 -","4","1","","Jones, Leigh F.; Kilner, Colin A.; Halcrow, Malcolm A.","A comparison of different methods for fitting susceptibility data of cobalt(ii) coordination polymers in a new cobalt(ii)/sulfate 1-D chain","New Journal of Chemistry","2007","31","8","1530","","10.1039/b700987a","","","0.71073","MoKα","","0.0363","0.0314","","","0.0743","0.077","","","","","","1.028","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054177","7.7471","0.0009","11.7596","0.0015","19.604","0.002","90","","90.778","0.005","90","","1785.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Fe2 N O6 S2 -","- C13 H13 Fe2 N O6 S2 -","- C52 H52 Fe8 N4 O24 S8 -","4","1","","Si, Youtao; Ma, Chengbing; Hu, Mingqiang; Chen, Hui; Chen, Changneng; Liu, Qiutian","(N-CnH2n‒1)-1,3-Azapropanedithiolate (n = 5, 6, 7)-bridged diiron complexes as mimics for the active site of [FeFe]-hydrogenases: the influence of the bridge on the diiron complex","New Journal of Chemistry","2007","31","8","1448","","10.1039/b616236c","","","0.71073","MoKα","","","0.048","","","0.0928","0.1028","","","","","","1.084","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054178","9.6577","0.0002","13.0873","0.0001","14.9696","0.0002","90","","92.793","0.001","90","","1889.81","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Fe2 N O6 S2 -","- C14 H15 Fe2 N O6 S2 -","- C56 H60 Fe8 N4 O24 S8 -","4","1","","Si, Youtao; Ma, Chengbing; Hu, Mingqiang; Chen, Hui; Chen, Changneng; Liu, Qiutian","(N-CnH2n‒1)-1,3-Azapropanedithiolate (n = 5, 6, 7)-bridged diiron complexes as mimics for the active site of [FeFe]-hydrogenases: the influence of the bridge on the diiron complex","New Journal of Chemistry","2007","31","8","1448","","10.1039/b616236c","","","0.71073","MoKα","","","0.0521","","","0.1259","0.1328","","","","","","1.024","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054179","10.604","0.003","12.035","0.004","15.428","0.004","90","","92.439","0.006","90","","1967.1","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Fe2 N O6 S2 -","- C15 H17 Fe2 N O6 S2 -","- C60 H68 Fe8 N4 O24 S8 -","4","1","","Si, Youtao; Ma, Chengbing; Hu, Mingqiang; Chen, Hui; Chen, Changneng; Liu, Qiutian","(N-CnH2n‒1)-1,3-Azapropanedithiolate (n = 5, 6, 7)-bridged diiron complexes as mimics for the active site of [FeFe]-hydrogenases: the influence of the bridge on the diiron complex","New Journal of Chemistry","2007","31","8","1448","","10.1039/b616236c","","","0.71073","MoKα","","","0.031","","","0.0894","0.1074","","","","","","1.097","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054180","12.4237","0.0005","14.1988","0.0006","14.6021","0.0006","98.333","0.001","91.911","0.001","94.471","0.001","2538.28","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H31 Fe2 N O4 P2 S2 -","- C17 H31 Fe2 N O4 P2 S2 -","- C68 H124 Fe8 N4 O16 P8 S8 -","4","2","","Si, Youtao; Ma, Chengbing; Hu, Mingqiang; Chen, Hui; Chen, Changneng; Liu, Qiutian","(N-CnH2n‒1)-1,3-Azapropanedithiolate (n = 5, 6, 7)-bridged diiron complexes as mimics for the active site of [FeFe]-hydrogenases: the influence of the bridge on the diiron complex","New Journal of Chemistry","2007","31","8","1448","","10.1039/b616236c","","","0.71073","MoKα","","","0.0785","","","0.2815","0.3076","","","","","","0.992","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054181","22.819","0.005","10.912","0.002","23.588","0.005","90","","118.581","0.002","90","","5157.7","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 Fe2 N O4 P2 S2 -","- C18 H33 Fe2 N O4 P2 S2 -","- C144 H264 Fe16 N8 O32 P16 S16 -","8","2","","Si, Youtao; Ma, Chengbing; Hu, Mingqiang; Chen, Hui; Chen, Changneng; Liu, Qiutian","(N-CnH2n‒1)-1,3-Azapropanedithiolate (n = 5, 6, 7)-bridged diiron complexes as mimics for the active site of [FeFe]-hydrogenases: the influence of the bridge on the diiron complex","New Journal of Chemistry","2007","31","8","1448","","10.1039/b616236c","","","0.71073","MoKα","","","0.0568","","","0.0973","0.1064","","","","","","1.108","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054182","11.0584","0.0006","22.4454","0.001","11.6423","0.0006","90","","113.615","0.002","90","","2647.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H35 Fe2 N O4 P2 S2 -","- C19 H35 Fe2 N O4 P2 S2 -","- C76 H140 Fe8 N4 O16 P8 S8 -","4","1","","Si, Youtao; Ma, Chengbing; Hu, Mingqiang; Chen, Hui; Chen, Changneng; Liu, Qiutian","(N-CnH2n‒1)-1,3-Azapropanedithiolate (n = 5, 6, 7)-bridged diiron complexes as mimics for the active site of [FeFe]-hydrogenases: the influence of the bridge on the diiron complex","New Journal of Chemistry","2007","31","8","1448","","10.1039/b616236c","","","0.71073","MoKα","","","0.041","","","0.1335","0.1394","","","","","","1.071","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054183","9.9882","0.0004","14.1537","0.0005","14.7208","0.0008","64.158","0.002","86.751","0.003","70.732","0.003","1758.73","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H39 N9 O7 S2 -","- C33 H39 N9 O7 S2 -","- C66 H78 N18 O14 S4 -","2","1","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.","A simple benzimidazole-based receptor for barbiturate and urea neutral guests that functions in polar solvent mixtures","New Journal of Chemistry","2007","31","9","1583","","10.1039/b705854c","","","0.71073","MoKα","","0.0976","0.0561","","","0.1274","0.1467","","","","","","1.023","","","","has coordinates,has disorder","301851","2025-08-21","20:32:46",""
"7054184","19.3932","0.0004","5.8774","0.0001","19.4872","0.0004","90","","102.842","0.001","90","","2165.62","0.07","120","2","120","2","","","","","","","Matthew Fisher","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N7 O3 S -","- C23 H21 N7 O3 S -","- C92 H84 N28 O12 S4 -","4","1","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.","A simple benzimidazole-based receptor for barbiturate and urea neutral guests that functions in polar solvent mixtures","New Journal of Chemistry","2007","31","9","1583","","10.1039/b705854c","","","0.71073","MoKα","","0.0681","0.0505","","","0.1252","0.1377","","","","","","1.082","","","","has coordinates","301851","2025-08-21","20:32:46",""
"7054185","10.5481","0.0003","13.6951","0.0004","16.4507","0.0006","87.777","0.002","80.974","0.002","77.225","0.002","2288.88","0.13","120","2","120","2","","","","","","","Matthew Fisher","4","P -1","-P 1","2","","","","- C49 H49.67 N15 O7.34 -","- C49 H49.66 N15 O7.33 -","- C98 H99.32 N30 O14.66 -","2","1","","Fisher, Matthew G.; Gale, Philip A.; Light, Mark E.","A simple benzimidazole-based receptor for barbiturate and urea neutral guests that functions in polar solvent mixtures","New Journal of Chemistry","2007","31","9","1583","","10.1039/b705854c","","","0.71073","MoKα","","0.1353","0.097","","","0.2437","0.2727","","","","","","1.064","","","","has coordinates","180095","2020-10-21","18:00:00",""