# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2025-02-18T00:34:09+01:00 # Query: # SELECT data.* # FROM # data JOIN jaltnames # ON altname = journal # WHERE # (status is null or status != 'retracted') and # (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Crystals') AND volume = 14 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 "1570706","10.5831","0.0012","22.694","0.003","5.3843","0.0006","90","","90","","90","","1293.2","0.3","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi6 O15 Te2 -","- Bi6 O15 Te2 -","- Bi24 O60 Te8 -","4","0.5","","Kim, Sun Woo; Chang, Hong Young","Structural Analysis, Characterization, and First-Principles Calculations of Bismuth Tellurium Oxides, Bi6Te2O15","Crystals","2023","14","1","23","","10.3390/cryst14010023","","","0.71073","MoKα","","0.0475","0.0364","","","0.0744","0.0791","","","","","","1.079","","","","has coordinates","288915","2024-01-06","15:56:57","" "1570707","5.6914","0.0006","5.6914","0.0006","7.37","0.003","90","","90","","120","","206.75","0.09","573","0.4","573","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- K Na O4 S -","- K Na O4 S -","- K2 Na2 O8 S2 -","2","0.166667","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.0718","0.057","","","0.0875","0.088","","","","4.25","4.25","3.73","","","","has coordinates","288916","2024-01-06","15:57:25","" "1570708","5.669","0.005","5.669","0.005","7.75","0.003","90","","90","","120","","215.7","0.3","773","0.6","773","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K Na O4 S -","- K Na O3.9999 S -","- K2 Na2 O7.9998 S2 -","2","0.0833333","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.1185","0.0559","","","0.0591","0.0665","","","","2.74","2.74","1.74","","","","has coordinates","288917","2024-01-06","15:58:04","" "1570709","5.654","0.002","5.654","0.002","8.353","0.004","90","","90","","120","","231.25","0.16","1023","","1023","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K Na O4 S -","- K Na O4.0005 S -","- K2 Na2 O8.001 S2 -","2","0.0833333","","Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav","Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions","Crystals","2023","14","1","27","","10.3390/cryst14010027","","x-ray","0.71073","MoKα","","0.2826","0.0476","","","0.0469","0.1026","","","","1.35","1.35","1.16","","","","has coordinates","288918","2024-01-06","15:58:44","" "1570896","8.566","0.003","9.831","0.004","11.508","0.004","75.764","0.004","79.755","0.004","88.092","0.004","924.3","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","1","0.5","","Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi","Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6","Crystals","2024","14","1","87","","10.3390/cryst14010087","","","0.71073","MoKα","","0.0579","0.0489","","","0.1277","0.1343","","","","","","1.088","","","","has coordinates","289653","2024-02-04","18:12:23","" "1570897","8.724","0.003","9.687","0.003","11.556","0.004","77.799","0.004","78.954","0.004","88.451","0.004","936.8","0.5","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","- C30 H43 Br2 Co N8 O8 -","1","0.5","","Hu, Hong-Zhi; Yan, Yi-Bo; Wang, Na; Adila, Abuduheni; Liu, Yang; Liu, Zun-Qi","Phase Transition and Switchable Dielectric Properties of a Three-Dimensional Hydrogen-Bonding Framework Based on Cobalt (Ⅲ), o-Bromoaniline, and 18-Crown-6","Crystals","2024","14","1","87","","10.3390/cryst14010087","","","0.71073","MoKα","","0.0947","0.07","","","0.1738","0.1918","","","","","","1.054","","","","has coordinates","289654","2024-02-04","18:12:34","" "1571107","7.848","0.002","12.529","0.003","12.72","0.003","91.03","0.02","94.94","0.02","89.98","0.02","1245.9","0.5","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","μ-oxo-bis(phthalocyaninatogallium(III)","","- C32 H16 Ga N8 O0.5 -","- C32 H16 Ga N8 O0.5 -","- C64 H32 Ga2 N16 O -","2","1","","Zugenmaier, Peter","Crystal and Molecular Structures of Two Phthalocyanines, Chloro(phthalocyaninato)gallium(III) (ClGaPc) and µ-Oxobis(phthalocyaninato)gallium(III) (PcGaOGaPc)","Crystals","2024","14","2","182","","10.3390/cryst14020182","","","0.71073","MoKα","","0.0447","0.03","","","0.0701","0.0748","","","","","","1.038","","","","has coordinates","290294","2024-03-05","02:00:49","" "1571108","11.9442","0.0009","15.5313","0.0009","15.9059","0.0012","90","","105.945","0.003","90","","2837.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 B Cu F4 N6 P -","- C28 H25 B Cu F4 N6 P -","- C112 H100 B4 Cu4 F16 N24 P4 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Single-Crystal X-ray Structure Determination of Tris(pyrazol-1-yl)methane Triphenylphosphine Copper(I) Tetrafluoroborate, Hirshfeld Surface Analysis and DFT Calculations","Crystals","2024","14","2","162","","10.3390/cryst14020162","","","0.71073","MoKα","","0.0297","0.0272","","","0.0667","0.068","","","","","","1.062","","","","has coordinates","290295","2024-03-05","02:01:21","" "1571109","10.918","0.0007","13.802","0.0007","6.521","0.0004","90","","100.154","0.002","90","","967.26","0.1","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al F5 Fe H14 O7 -","- Al F5 Fe H14 O7 -","- Al4 F20 Fe4 H56 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0505","0.0424","","","0.0955","0.0997","","","","","","1.085","","","","has coordinates","290296","2024-03-05","02:02:05","" "1571110","10.8749","0.0016","13.7822","0.0016","6.4894","0.0008","90","","100.397","0.005","90","","956.7","0.2","300","2","300","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al Co F5 H14 O7 -","- Al Co F5 H14 O7 -","- Al4 Co4 F20 H56 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0466","0.0434","","","0.1006","0.1031","","","","","","1.111","","","","has coordinates","290296","2024-03-05","02:02:16","" "1571111","10.788","0.0004","13.6952","0.0004","6.4554","0.0002","90","","100.151","0.0014","90","","938.82","0.05","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Al F5 H14 Ni O7 -","- Al F5 H14 Ni O7 -","- Al4 F20 H56 Ni4 O28 -","4","0.5","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0434","0.0407","","","0.0928","0.0945","","","","","","1.116","","","","has coordinates","290296","2024-03-05","02:02:19","" "1571112","6.4864","0.0009","8.719","0.0011","8.7917","0.0011","103.834","0.003","96.364","0.003","95.4","0.003","476.05","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al F5 Fe H14 O7 -","- Al F5 Fe H14 O7 -","- Al2 F10 Fe2 H28 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.044","0.0425","","","0.1098","0.1133","","","","","","1.129","","","","has coordinates","290296","2024-03-05","02:02:29","" "1571113","6.4434","0.0005","8.6691","0.0006","8.8031","0.0006","104.019","0.002","96.749","0.002","95.254","0.002","470.08","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al Co F5 H14 O7 -","- Al Co F5 H14 O7 -","- Al2 Co2 F10 H28 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0364","0.0329","","","0.0714","0.0743","","","","","","1.148","","","","has coordinates","290296","2024-03-05","02:02:30","" "1571114","6.4022","0.0006","8.5874","0.0007","8.7691","0.0007","104.255","0.003","96.638","0.003","94.816","0.003","460.96","0.07","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- Al F5 H14 Ni O7 -","- Al F5 H14 Ni O7 -","- Al2 F10 H28 Ni2 O14 -","2","1","","Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo","Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates","Crystals","2024","14","2","197","","10.3390/cryst14020197","","","0.71073","MoKα","","0.0548","0.0512","","","0.1377","0.1408","","","","","","1.121","","","","has coordinates","290296","2024-03-05","02:02:30","" "1571115","5.214","0.0008","7.7014","0.0009","10.4275","0.0016","68.758","0.013","77.177","0.013","71.498","0.012","367.38","0.1","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C H8 Mg N2 O7 S -","- C H8 Mg N2 O7 S -","- C2 H16 Mg2 N4 O14 S2 -","2","1","","Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana","New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O","Crystals","2024","14","3","227","","10.3390/cryst14030227","","x-ray","0.71073","MoKα","","0.0762","0.0673","","","0.1474","0.1511","","","","","","1.239","","","","has coordinates","290297","2024-03-05","02:02:50","" "1571116","5.2452","0.0011","7.708","0.0014","10.23","0.002","90","","94.291","0.008","90","","412.44","0.14","290","2","290","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C H10 Mg N2 O8 S -","- C H10 Mg N2 O8 S -","- C2 H20 Mg2 N4 O16 S2 -","2","1","","Nikolova, Rositsa; Kostov-Kytin, Vladislav; Petrova, Nadia; Kossev, Krasimir; Titorenkova, Rositsa; Velyanova, Gergana","New Data on Crystal Phases in the System MgSO4–OC(NH2)2–H2O","Crystals","2024","14","3","227","","10.3390/cryst14030227","","","0.71073","MoKα","","0.0379","0.0371","","","0.0994","0.1003","","","","","","0.914","","","","has coordinates","290298","2024-03-05","02:03:01","" "1571376","19.2401","0.001","12.1579","0.0007","10.1312","0.0006","90","","90","","90","","2369.9","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H28 Mn N4 O5 -","- C24 H28 Mn N4 O5 -","- C96 H112 Mn4 N16 O20 -","4","0.5","","Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.","Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies","Crystals","2024","14","4","318","","10.3390/cryst14040318","","","1.54178","CuKα","","0.0434","0.0414","","","0.1109","0.1133","","","","","","1.086","","","","has coordinates","291081","2024-04-05","05:50:41","" "1571377","15.6899","0.0005","10.7161","0.0003","11.3062","0.0004","90","","90","","90","","1900.96","0.11","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H26 Cu N4 O4 -","- C18 H26 Cu N4 O4 -","- C72 H104 Cu4 N16 O16 -","4","0.5","","Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K.","Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies","Crystals","2024","14","4","318","","10.3390/cryst14040318","","","1.54178","CuKα","","0.0482","0.0475","","","0.1395","0.1402","","","","","","1.143","","","","has coordinates","291082","2024-04-05","05:50:56","" "1571378","5.0459","0.0009","9.373","0.002","9.5454","0.0018","90","","96.187","0.018","90","","448.82","0.15","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H7 F3 N4 O2 -","- C7 H7 F3 N4 O2 -","- C14 H14 F6 N8 O4 -","2","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","","0.0932","0.0665","","","0.1881","0.2204","","","","","","1.062","","","","has coordinates","291083","2024-04-05","05:51:24","" "1571379","8.71","0.006","6.292","0.005","15.26","0.011","90","","90","","90","","836.3","1.1","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","0.71073","MoKα","","0.0767","0.0697","","","0.1601","0.1624","","","","","","1.344","","","","has coordinates","291083","2024-04-05","05:51:24","" "1571380","8.924","0.002","6.3937","0.0016","15.626","0.004","90","","90","","90","","891.6","0.4","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br2 Cu N4 -","- C5 H6 Br2 Cu N4 -","- C20 H24 Br8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","K-L~3~","0.044","0.0328","","","0.081","0.0886","","","","","","1.073","","","","has coordinates","291083","2024-04-05","05:51:24","" "1571381","8.6664","0.0002","6.2964","0.0002","14.894","0.0004","90","","90","","90","","812.72","0.04","100","2","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","Pyrazine Copper Chloride","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","1.54184","CuKα","","0.0663","0.0609","","","0.1587","0.163","","","","","","1.14","","","","has coordinates","291083","2024-04-05","05:51:25","" "1571382","8.943","0.0002","6.4316","0.0002","15.2113","0.0003","90","","90","","90","","874.92","0.04","100","0.1","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br2 Cu N4 -","- C5 H6 Br2 Cu N4 -","- C20 H24 Br8 Cu4 N16 -","4","0.5","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","1.54184","CuKα","","0.0589","0.0562","","","0.1473","0.1505","","","","","","1.079","","","","has coordinates","291083","2024-04-05","05:51:25","" "1571383","8.3731","0.0004","10.9315","0.0006","9.5637","0.0003","90","","103.022","0.004","90","","852.86","0.07","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 Cl2 Cu N3 -","- C6 H7 Cl2 Cu N3 -","- C24 H28 Cl8 Cu4 N12 -","4","1","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","x-ray","0.71073","MoKα","","0.056","0.042","","","0.0889","0.098","","","","","","1.05","","","","has coordinates","291083","2024-04-05","05:51:25","" "1571384","8.4622","0.0012","10.6392","0.0014","9.6678","0.0013","90","","99.036","0.005","90","","859.6","0.2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cl2 Cu N4 -","- C5 H6 Cl2 Cu N4 -","- C20 H24 Cl8 Cu4 N16 -","4","1","","Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana","Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides","Crystals","2024","14","4","319","","10.3390/cryst14040319","","","0.71073","MoKα","","0.0343","0.0269","","","0.0674","0.0704","","","","","","1.017","","","","has coordinates","291083","2024-04-05","05:51:25","" "1571385","12.0056","0.0009","13.9227","0.001","21.5251","0.0015","84.548","0.003","81.768","0.003","87.722","0.003","3543.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 F4 Ir N4 O4.25 -","- C33 H27 F4 Ir N4 O4.25 -","- C132 H108 F16 Ir4 N16 O17 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0409","0.0362","","","0.1153","0.1205","","","","","","1.109","","","","has coordinates,has disorder","291084","2024-04-05","05:52:51","" "1571386","20.1167","0.0011","16.8038","0.001","17.1342","0.0009","90","","107.127","0.002","90","","5535.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H19 Cl F4 Ir N4 O2.5 -","- C28.5 H18.9999 Cl0.9999 F4 Ir N4 O2.5 -","- C228 H151.999 Cl7.9992 F32 Ir8 N32 O20 -","8","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0504","0.0364","","","0.0778","0.0872","","","","","","1.111","","","","has coordinates,has disorder","291084","2024-04-05","05:52:51","" "1571387","9.3656","0.0005","16.9853","0.0008","9.5139","0.0005","90","","91.2046","0.0018","90","","1513.11","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl4 Ir N4 O3 -","- C30 H25 Cl4 Ir N4 O3 -","- C60 H50 Cl8 Ir2 N8 O6 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0236","0.0204","","","0.0439","0.0463","","","","","","1.038","","","","has coordinates","291084","2024-04-05","05:52:51","" "1571388","9.3682","0.0006","16.9395","0.001","9.4088","0.0005","90","","91.347","0.002","90","","1492.69","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H25 Cl4 Ir N4 O2 -","- C30 H25 Cl4 Ir N4 O2 -","- C60 H50 Cl8 Ir2 N8 O4 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0175","0.0164","","","0.0376","0.0396","","","","","","0.946","","","","has coordinates","291084","2024-04-05","05:52:52","" "1571389","8.815","0.0006","12.0339","0.001","22.3146","0.0017","87.528","0.003","79.542","0.003","89.854","0.003","2325.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H15 F4 Ir N4 O2 -","- C27 H15 F4 Ir N4 O2 -","- C108 H60 F16 Ir4 N16 O8 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0283","0.0214","","","0.0419","0.0464","","","","","","1.191","","","","has coordinates","291084","2024-04-05","05:52:52","" "1571390","9.6985","0.0008","24.7164","0.0018","13.7261","0.0009","90","","93.775","0.003","90","","3283.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cl2 F10 Ir N6 P -","- C31 H20 Cl2 F10 Ir N6 P -","- C124 H80 Cl8 F40 Ir4 N24 P4 -","4","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0498","0.0409","","","0.0865","0.0938","","","","","","1.067","","","","has coordinates","291084","2024-04-05","05:52:52","" "1571391","13.8002","0.0006","14.3504","0.0006","17.3147","0.0008","72.193","0.002","89.145","0.002","89.584","0.002","3264.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32.5 H24 Cl F10 Ir N6 O0.5 P -","- C32.5 H24 Cl F10 Ir N6 O0.5 P -","- C130 H96 Cl4 F40 Ir4 N24 O2 P4 -","4","2","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0513","0.0404","","","0.0839","0.0944","","","","","","1.1","","","","has coordinates,has disorder","291084","2024-04-05","05:52:52","" "1571392","8.6227","0.0009","13.5061","0.0013","16.6738","0.0015","104.272","0.003","94.651","0.004","90.132","0.004","1875.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H32 Cl2 F10 Ir N6 P -","- C37 H32 Cl2 F10 Ir N6 P -","- C74 H64 Cl4 F20 Ir2 N12 P2 -","2","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0274","0.0242","","","0.0561","0.0587","","","","","","1.123","","","","has coordinates","291084","2024-04-05","05:52:52","" "1571393","10.8324","0.0004","16.0987","0.0006","31.5748","0.001","90","","90","","90","","5506.3","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 F6 Ir N6 P -","- C30 H22 F6 Ir N6 P -","- C240 H176 F48 Ir8 N48 P8 -","8","1","","Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A.","Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors","Crystals","2024","14","3","281","","10.3390/cryst14030281","","","0.71073","MoKα","","0.0478","0.0319","","","0.0599","0.0707","","","","","","1.219","","","","has coordinates","291084","2024-04-05","05:52:52","" "1571551","21.266","0.002","19.1361","0.0016","25.447","0.002","90","","90.517","0.003","90","","10355.2","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Cl6 Mn3 N18 O46 -","- C90 H78 Cl6 Mn3 N18 O46 -","- C360 H312 Cl24 Mn12 N72 O184 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations","Crystals","2024","14","5","422","","10.3390/cryst14050422","","","0.71073","MoKα","","0.0607","0.0531","","","0.136","0.1421","","","","","","1.069","","","","has coordinates","291703","2024-05-05","09:49:27","" "1571552","21.302","0.003","19.101","0.003","25.487","0.004","90","","90.354","0.005","90","","10370","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H80 Cl6 Mn3 N18 O46 -","- C90 H72 Cl6 Mn3 N18 O46 -","- C360 H288 Cl24 Mn12 N72 O184 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Further Insight into the Manganese(II) 2,2′-Bipyridine-1,1′-dioxide Homoleptic Complex: Single-Crystal X-ray Structure Determination of the Perchlorate Salt and DFT Calculations","Crystals","2024","14","5","422","","10.3390/cryst14050422","","","0.71073","MoKα","","0.1157","0.1002","","","0.2632","0.271","","","","","","1.096","","","","has coordinates","291703","2024-05-05","09:49:30","" "1572291","24.1786","0.0005","24.1786","0.0005","8.9518","0.0002","90","","90","","120","","4532.14","0.17","","","","","","","","","","","","3","P -3","-P 3","147","","1-(2,4,6-trimethylphenyl)-1-ethanol","","- C11 H16 O -","- C11 H16 O -","- C198 H288 O18 -","18","3","","Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek","Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety","Crystals","2024","14","7","642","","10.3390/cryst14070642","","","","","","0.095","","","","","","","","","","","","","","","has coordinates","293964","2024-08-06","01:49:25","" "1572292","13.1947","0.0003","13.6034","0.0003","18.7383","0.0006","89.584","0.002","76.961","0.002","86.63","0.002","3270.94","0.15","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H28 O -","- C17 H28 O -","- C136 H224 O8 -","8","4","","Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek","Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety","Crystals","2024","14","7","642","","10.3390/cryst14070642","","","","","","0.099","","","","","","","","","","","","","","","has coordinates","293965","2024-08-06","01:49:42","" "1572293","5.921","0.001","20.42","0.004","13.5","0.003","90","","93.11","0.03","90","","1629.8","0.6","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 O -","- C17 H26 O -","- C68 H104 O4 -","4","1","","Iwanek (nee Wilczkowska), Ewa M.; Gliński, Marek","Study of the Influence of the Change from Methyl to Isopropyl Substituents in 1-(2,4,6-trialkylphenyl)ethanol on the Point Group Symmetry of the 0-D Hydrogen-Bonded Moiety","Crystals","2024","14","7","642","","10.3390/cryst14070642","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","293966","2024-08-06","01:49:55","" "1572294","9.3792","0.0003","9.3792","0.0003","15.6549","0.0006","90","","90","","120","","1192.65","0.07","180","2","180","2","","","","","","","","5","P 3 c 1","P 3 -2""c","158","","","","- C21 H24 N O6 P3 -","- C21 H24 N O6 P3 -","- C42 H48 N2 O12 P6 -","2","0.333333","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.0425","0.0317","","","0.0711","0.0742","","","","","","1.036","","","","has coordinates","293967","2024-08-06","01:50:23","" "1572295","18.2554","0.0005","18.2554","0.0005","11.4177","0.0003","90","","90","","120","","3295.28","0.15","180","2","180","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C21 H24 N O6 P3 -","- C21 H24 N O6 P3 -","- C126 H144 N6 O36 P18 -","6","0.333333","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.0243","0.0224","","","0.0602","0.061","","","","","","1.055","","","","has coordinates","293967","2024-08-06","01:50:24","" "1572296","12.1818","0.0003","12.1818","0.0003","92.431","0.003","90","","90","","120","","11878.8","0.6","160","2","160","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H48 N O6 P3 Si3 -","- C30 H48 N O6 P3 Si3 -","- C360 H576 N12 O72 P36 Si36 -","12","0.666667","","Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers","Crystals","2024","14","7","662","","10.3390/cryst14070662","","","0.71073","MoKα","","0.055","0.0376","","","0.1017","0.1066","","","","","","1.106","","","","has coordinates","293967","2024-08-06","01:50:24","" "1572297","7.1146","0.0001","11.2314","0.0002","24.3877","0.0004","90","","90","","90","","1948.75","0.05","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N3 O4 S -","- C18 H25 N3 O4 S -","- C72 H100 N12 O16 S4 -","4","1","","Zhang, Menglong; Hou, Xinyu; Yu, Fuhai; Zhang, Liang; Hou, Baohong; Zhou, Lina; Xie, Chuang; Wu, Songgu; Chen, Wei","Synthesis, Characterization, and Analysis of Probenecid and Pyridine Compound Salts","Crystals","2024","14","7","670","","10.3390/cryst14070670","","x-ray","0.71073","MoKα","","0.0795","0.059","","","0.1144","0.128","","","","","","1.027","","","","has coordinates","293968","2024-08-06","01:50:43","" "1572298","6.883","0.0001","7.1512","0.0002","43.1607","0.0008","90","","93.68","0.002","90","","2120.06","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 N3 O4 S -","- C20 H29 N3 O4 S -","- C80 H116 N12 O16 S4 -","4","1","","Zhang, Menglong; Hou, Xinyu; Yu, Fuhai; Zhang, Liang; Hou, Baohong; Zhou, Lina; Xie, Chuang; Wu, Songgu; Chen, Wei","Synthesis, Characterization, and Analysis of Probenecid and Pyridine Compound Salts","Crystals","2024","14","7","670","","10.3390/cryst14070670","","x-ray","0.71073","MoKα","","0.0574","0.0534","","","0.1464","0.1496","","","","","","1.1","","","","has coordinates,has disorder","293969","2024-08-06","01:51:03","" "1572510","6.54619","0.00005","12.52881","0.00009","15.12082","0.00015","90","","92.4078","0.0008","90","","1239.05","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-diaminopyrimidin-1-ium 3-carboxypyrazine-2-carboxylate monohydrate","","- C10 H12 N6 O5 -","- C10 H12 N6 O5 -","- C40 H48 N24 O20 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0311","0.0295","","","0.0761","0.0773","","","","","","1.101","","","","has coordinates","294648","2024-09-06","08:49:43","" "1572511","9.83584","0.00014","15.2908","0.0002","8.52118","0.00014","90","","112.316","0.0018","90","","1185.58","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-diamino-6-chloropyrimidin-3-ium 3-carboxypyrazine-2-carboxylate","","- C10 H9 Cl N6 O4 -","- C10 H9 Cl N6 O4 -","- C40 H36 Cl4 N24 O16 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0268","0.0251","","","0.0655","0.0666","","","","","","1.037","","","","has coordinates","294648","2024-09-06","08:49:45","" "1572512","9.3148","0.0002","14.8388","0.0003","9.4812","0.0003","90","","108.486","0.003","90","","1242.88","0.06","129.5","0.1","129.5","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-diaminopurin-1-ium 3-carboxypyrazine-2-carboxylate","","- C11 H10 N8 O4 -","- C11 H10 N8 O4 -","- C44 H40 N32 O16 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0388","0.0367","","","0.1001","0.1022","","","","","","1.07","","","","has coordinates","294648","2024-09-06","08:49:46","" "1572513","25.774","0.0005","6.56343","0.00009","26.4567","0.0005","90","","116.307","0.003","90","","4012.05","0.16","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","'2,6-diamino-5-azapurin-9-ium 3-carboxypyrazine-2-carboxylate 2,6-diamino-5-azapurine sesquihydrate'","","- C14 H17 N16 O5.5 -","- C14 H17 N16 O5.5 -","- C112 H136 N128 O44 -","8","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","","1.54184","CuKα","","0.0327","0.0314","","","0.0819","0.0828","","","","","","1.031","","","","has coordinates","294648","2024-09-06","08:49:48","" "1572514","10.9538","0.0003","3.79977","0.00011","27.193","0.0007","90","","96.586","0.003","90","","1124.36","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-diaminopyrimidin-1-ium 4-carboxythiophene-3-carboxylate","","- C10 H10 N4 O4 S -","- C10 H10 N4 O4 S -","- C40 H40 N16 O16 S4 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0388","0.0342","","","0.091","0.0954","","","","","","1.045","","","","has coordinates","294648","2024-09-06","08:49:57","" "1572515","10.2509","0.0002","4.64879","0.00011","27.0791","0.0007","90","","91.446","0.002","90","","1290.02","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,4-diamino-6-chloropyrimidin-3-ium 4-carboxythiophene-3-carboxylate","","- C10 H9 Cl N4 O4 S -","- C10 H9 Cl N4 O4 S -","- C40 H36 Cl4 N16 O16 S4 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.0347","0.0306","","","0.0809","0.0847","","","","","","1.035","","","","has coordinates","294648","2024-09-06","08:50:00","" "1572516","4.20086","0.00014","21.3241","0.0007","13.9944","0.0004","90","","91.394","0.003","90","","1253.24","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","4,6-diamino-2-thiopyrimidin-1,3-dium 4-carboxythiophene-3-carboxylate","","- C10 H10 N4 O4 S2 -","- C10 H10 N4 O4 S2 -","- C40 H40 N16 O16 S8 -","4","1","","Bojarska, Joanna; Łyczko, Krzysztof; Breza, Martin; Mieczkowski, Adam","Recurrent Supramolecular Patterns in a Series of Salts of Heterocyclic Polyamines and Heterocyclic Dicarboxylic Acids: Synthesis, Single-Crystal X-ray Structure, Hirshfeld Surface Analysis, Energy Framework, and Quantum Chemical Calculations","Crystals","2024","14","8","733","","10.3390/cryst14080733","","x-ray","1.54184","CuKα","","0.029","0.0288","","","0.0762","0.0766","","","","","","1.059","","","","has coordinates","294648","2024-09-06","08:50:05","" "1572517","23.741","0.012","12.626","0.006","19.3","0.01","90","","108.642","0.009","90","","5482","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Co1.5 N6 O4 -","- C25 H21 Co1.5 N6 O4 -","- C200 H168 Co12 N48 O32 -","8","1","","Xiao, Caihong; Du, Shaowu","First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies","Crystals","2024","14","8","731","","10.3390/cryst14080731","","","0.71073","MoKα","","","0.0439","","","0.1226","0.1387","","","","","","1.046","","","","has coordinates","294649","2024-09-06","08:51:18","" "1572518","11.6083","0.0006","11.6083","0.0006","13.5342","0.0014","90","","90","","120","","1579.4","0.2","293","2","293","2","","","","","","","","5","P 3","P 3","143","","","","- C20.67 H14 Co N4 O2.67 -","- C20.6667 H14 Co N4 O2.66667 -","- C62 H42 Co3 N12 O8 -","3","1","","Xiao, Caihong; Du, Shaowu","First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies","Crystals","2024","14","8","731","","10.3390/cryst14080731","","","0.71073","MoKα","","0.0631","0.0602","","","0.1624","0.167","","","","","","1.081","","","","has coordinates","294649","2024-09-06","08:51:19","" "1572519","12.2559","0.0006","12.2559","0.0006","15.4132","0.0016","90","","90","","90","","2315.2","0.3","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C12 H9 Co0.75 N2 O2 -","- C12 H9 Co0.75 N2 O2 -","- C96 H72 Co6 N16 O16 -","8","1","","Xiao, Caihong; Du, Shaowu","First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies","Crystals","2024","14","8","731","","10.3390/cryst14080731","","","0.71073","MoKα","","","0.0431","","","0.1198","0.1252","","","","","","1.002","","","","has coordinates","294649","2024-09-06","08:51:20","" "1572810","5.9268","0.0007","5.9268","0.0007","5.9268","0.0007","90","","90","","90","","208.19","0.04","295","2","295","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","silver antimony lead selenide","silver antimony lead selenide","","- Ag0.33 Pb0.33 Sb0.33 Se -","- Ag0.3334 Pb0.3333 Sb0.3333 Se -","- Ag1.3336 Pb1.3332 Sb1.3332 Se4 -","4","0.0208333","","Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver","Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te","Crystals","2024","14","9","789","","10.3390/cryst14090789","","","0.56086","AgKα","","0.0133","0.0133","","","0.0269","0.0269","","","","","","1.201","","","","has coordinates","295355","2024-10-06","13:21:56","" "1572811","4.2887","0.0001","4.2887","0.0001","41.544","0.001","90","","90","","120","","661.74","0.03","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","silver lead antimony telluride","silver lead antimony telluride","","- Ag0.38 Pb0.25 Sb2.38 Te4 -","- Ag0.3785 Pb0.2432 Sb2.3785 Te4 -","- Ag1.1355 Pb0.7296 Sb7.1355 Te12 -","3","0.0833333","","Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver","Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te","Crystals","2024","14","9","789","","10.3390/cryst14090789","","","0.5","synchrotron","","0.0208","0.0203","","","0.0599","0.0605","","","","","","1.134","","","","has coordinates","295356","2024-10-06","13:22:16","" "1572812","4.2118","0.0001","13.859","0.001","20.862","0.001","90","","90","","90","","1217.74","0.11","295","2","295","2","","","","","","","","4","C m c m","-C 2c 2","63","silver lead antimony selenide","silver lead antimony selenide","","- Ag0.61 Pb1.79 Sb2.61 Se6 -","- Ag0.6056 Pb1.7892 Sb2.6056 Se6 -","- Ag2.4224 Pb7.1568 Sb10.4224 Se24 -","4","0.25","","Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver","Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te","Crystals","2024","14","9","789","","10.3390/cryst14090789","","","0.5001","synchrotron","","0.0413","0.036","","","0.0965","0.0991","","","","","","1.349","","","","has coordinates","295357","2024-10-06","13:22:32","" "1573845","14.0437","0.0007","22.4513","0.0013","26.2961","0.0015","88.93","0.002","78.425","0.002","87.578","0.002","8114.8","0.8","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Co N2 P2 S4 -","- C62 H46 Co N2 P2 S4 -","- C372 H276 Co6 N12 P12 S24 -","6","3","","Costa, António G.; Lopes, Gonçalo; Rodrigues, João F. G.; Santos, Isabel C.; Simão, Dulce; Lopes, Elsa B.; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cobalt and Iron Cyano Benzene Bis(Dithiolene) Complexes","Crystals","2024","14","5","469","","10.3390/cryst14050469","","","0.71073","MoKα","","0.3416","0.0945","","","0.1375","0.185","","","","","","0.825","","","","has coordinates","297586","2025-02-04","13:56:54",""