# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-29T07:44:42+02:00
# 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 = 13 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
"1568586","6.3088","0.0001","6.3088","0.0001","12.3067","0.0004","90","","90","","120","","424.195","0.017","273","2","273","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- In O3 Tb -","- In O3 Tb -","- In6 O18 Tb6 -","6","0.5","","Min, Chang; Wu, You; Li, Yanbin; Zhou, Chunming; Cheong, Sang-Wook; Lu, Xiaosong; Zhou, Tianyuan; Zhang, Le","Structural and Improper Ferroelectric Properties of TbInO3 Single Crystal Grown by Laser Floating Zone","Crystals","2023","13","2","287","","10.3390/cryst13020287","","","0.71073","MoKα","","0.0449","0.0415","","","0.0847","0.0885","","","","","","1.257","","","","has coordinates","281626","2023-03-05","03:27:49",""
"1568587","8.0553","0.0003","3.7295","0.0002","7.3674","0.0003","90","","90","","90","","221.333","0.017","100.01","0.1","100.01","0.1","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","0.71073","MoKα","","0.0134","0.012","","","0.0257","0.0264","","","","","","1.0159","","","","has coordinates","281627","2023-03-05","03:29:23",""
"1568588","8.0405","0.0004","3.7238","0.0002","7.3585","0.0004","90","","90","","90","","220.32","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- Cl2 Cu H4 O2 -","- Cl2 Cu H4 O2 -","- Cl4 Cu2 H8 O4 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","1.54184","CuKα","","0.0133","0.0133","","","0.0329","0.0329","","","","","","1.0526","","","","has coordinates","281627","2023-03-05","03:29:33",""
"1568589","6.5628","0.0004","7.033","0.0004","8.7326","0.0006","90","","96.723","0.006","90","","400.29","0.04","99.98","0.1","99.98","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Nickel(II) chloride hexahydrate","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","0.71073","MoKα","","0.0186","0.0175","","","0.0396","0.04","","","","","","0.9955","","","","has coordinates","281627","2023-03-05","03:29:45",""
"1568590","6.5579","0.0002","7.0244","0.0003","8.7291","0.0003","90","","96.702","0.004","90","","399.36","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Nickel(II) chloride hexahydrate","","- Cl2 H12 Ni O6 -","- Cl2 H12 Ni O6 -","- Cl4 H24 Ni2 O12 -","2","0.25","","Boeré, René T.","Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors","Crystals","2023","13","2","293","","10.3390/cryst13020293","","x-ray","1.54184","CuKα","","0.0295","0.0276","","","0.0824","0.0843","","","","","","1.0438","","","","has coordinates","281627","2023-03-05","03:29:53",""
"1568591","5.8633","0.0004","6.8363","0.0006","16.0587","0.0016","79.338","0.011","81.318","0.009","82.834","0.006","622.21","0.1","293.15","","293.15","","","","","","","","Synthesis","4","P -1","-P 1","2","Calcium sebacate","Calcium decanedioate monohydrate","","- C10 H18 Ca O5 -","- C10 H18 Ca O5 -","- C20 H36 Ca2 O10 -","2","1","","Lopresti, Mattia; Milanesio, Marco; Palin, Luca","The Crystal Structure of Calcium Sebacate by X-ray Powder Diffraction Data","Crystals","2023","13","2","261","","10.3390/cryst13020261","powder diffraction","x-ray","1.54175","CuKα","","3.851","","","","","","","","14.065","","","","","","","has coordinates","281628","2023-03-05","03:31:03",""
"1568592","21.211","0.0017","3.7625","0.0003","13.9555","0.0011","90","","107.653","0.003","90","","1061.29","0.15","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C48 H40 N8 O16 -","8","1","","Baptista, Diogo S.; Piedade, M. Fátima M.; Esteves, Catarina V.","Solubility and Crystallization Studies of Picolinic Acid","Crystals","2023","13","3","392","","10.3390/cryst13030392","","","0.71073","MoKα","","0.0835","0.0632","","","0.1481","0.1565","","","","","","1.095","","","","has coordinates","281629","2023-03-05","03:31:48",""
"1568782","14.6426","0.0007","20.0946","0.0013","32.345","0.002","90","","90","","90","","9517.1","1","223","2","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H47 N9 O14 Zn -","- C51 H47 N9 O14 Zn -","- C408 H376 N72 O112 Zn8 -","8","1","","Pook, Niels-Patrick","Supramolecular Structure of Tris(1,10-phenanthroline)zinc(II)-Cation and N,N′,N″-tris(carboxymethyl)-1,3,5-benzenetricarboxamide-Anion: Synthesis, Crystal Structure, Vibrational Spectra, and Theoretical Investigations","Crystals","2023","13","4","569","","10.3390/cryst13040569","","","0.71073","MoKα","","0.1277","0.0536","","","0.0948","0.1162","","","","","","0.908","","","","has coordinates","282348","2023-04-04","13:04:38",""
"1568783","8.8038","0.0006","16.3659","0.0012","19.8889","0.0013","90","","91.557","0.001","90","","2864.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex1","","","- C22 H28 Cl Cu Ho N6 O10 -","- C22 H28 Cl Cu Ho N6 O10 -","- C88 H112 Cl4 Cu4 Ho4 N24 O40 -","4","1","","Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan","Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization","Crystals","2023","13","3","535","","10.3390/cryst13030535","","","0.71073","MoKα","","0.1692","0.0901","","","0.1761","0.2156","","","","","","0.865","","","","has coordinates","282349","2023-04-04","13:05:19",""
"1568784","8.8191","0.0007","16.5598","0.0014","20.0787","0.0018","90","","91.748","0.002","90","","2931","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complex2","","","- C22 H28 Cl Cu Gd N6 O10 -","- C22 H28 Cl Cu Gd N6 O10 -","- C88 H112 Cl4 Cu4 Gd4 N24 O40 -","4","1","","Zhang, Shaoliang; Du, Ruili; Fan, Xiufang; Zhao, Xinhua; Wang, Yanlan; Li, Shanshan","Self-Assembly Heterometallic Cu-Ln Complexes: Synthesis, Crystal Structures and Magnetic Characterization","Crystals","2023","13","3","535","","10.3390/cryst13030535","","","0.71073","MoKα","","0.1819","0.0822","","","0.1644","0.2086","","","","","","0.788","","","","has coordinates","282350","2023-04-04","13:05:48",""
"1569035","7.8725","0.0004","10.9122","0.0006","15.6053","0.0008","103.034","0.002","96.915","0.002","92.46","0.002","1293.15","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3,5,3',5'- tetrabromo-[4,4']bipyridine","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C40 H16 Br16 N8 -","4","2","","Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon","Crystals","2023","13","4","704","","10.3390/cryst13040704","","","0.71073","MoKα","","0.0551","0.0417","","","0.1003","0.1069","","","","","","1.038","","","","has coordinates","283520","2023-05-05","11:23:03",""
"1569036","18.3716","0.001","11.4111","0.0006","13.2287","0.0012","90","","132.282","0.002","90","","2051.8","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Br4 Co N4 O8 -","- C12 H12 Br4 Co N4 O8 -","- C48 H48 Br16 Co4 N16 O32 -","4","0.5","","Sakhapov, Ilyas F.; Zagidullin, Almaz A.; Dobrynin, Alexey B.; Litvinov, Igor A.; Yakhvarov, Dmitry G.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Crystal Structures of 3,3′,5,5′-Tetrabromo-4,4′-bipyridine and Co(II) Coordination Polymer Based Thereon","Crystals","2023","13","4","704","","10.3390/cryst13040704","","","0.71073","MoKα","","0.0433","0.0324","","","0.0758","0.079","","","","","","1.019","","","","has coordinates","283521","2023-05-05","11:23:27",""
"1569037","8.0769","0.0006","8.5225","0.0006","12.5476","0.0009","99.941","0.006","96.608","0.006","93.121","0.006","842.66","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N S3 -","- C15 H22 Br N S3 -","- C30 H44 Br2 N2 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.047","0.0352","","","0.0687","0.0753","","","","","","1.047","","","","has coordinates","283522","2023-05-05","11:23:47",""
"1569038","8.5163","0.0009","9.5058","0.001","14.5582","0.0015","73.29","0.01","89.59","0.01","85.96","0.01","1125.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Cl3 N2 O3 S3 -","- C16 H23 Cl3 N2 O3 S3 -","- C32 H46 Cl6 N4 O6 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.0751","0.0489","","","0.1326","0.1428","","","","","","1.069","","","","has coordinates,has disorder","283523","2023-05-05","11:24:16",""
"1569039","8.4811","0.0006","9.8093","0.0007","11.8739","0.0009","99.469","0.002","99.016","0.002","93.623","0.002","958.31","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Cl N2 O S3 -","- C18 H23 Cl N2 O S3 -","- C36 H46 Cl2 N4 O2 S6 -","2","1","","Caltagirone, Claudia; Aragoni, Maria Carla; Arca, Massimiliano; Blake, Alexander John; Demartin, Francesco; Garau, Alessandra; Podda, Enrico; Pop, Alexandra; Lippolis, Vito; Silvestru, Cristian","Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)","Crystals","2023","13","4","616","","10.3390/cryst13040616","","","0.71073","MoKα","","0.0338","0.0295","","","0.0775","0.0793","","","","","","1.066","","","","has coordinates","283524","2023-05-05","11:24:38",""
"1569279","16.4311","0.001","8.03","0.0003","11.2057","0.0007","90","","104.651","0.002","90","","1430.43","0.14","296.15","","296.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 -","- C42 H28 -","- C84 H56 -","2","0.5","","Sonina, Alina A.; Cheshkina, Darya S.; Kazantsev, Maxim S.","Additive-Assisted Crystallization of 9,10-Diphenylanthracene","Crystals","2023","13","6","861","","10.3390/cryst13060861","","","0.71073","MoKα","","0.083","0.0506","","","0.1181","0.1434","","","","","","1.025","","","","has coordinates","284352","2023-06-05","12:26:09",""
"1569440","9.4337","0.0003","19.5412","0.0006","10.7349","0.0003","90","","100.794","0.003","90","","1943.92","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 N3 Si -","- C7 H13 N3 Si -","- C56 H104 N24 Si8 -","8","2","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0495","0.0367","","","0.0876","0.0957","","","","","","1.097","","","","has coordinates","284989","2023-07-05","18:38:08",""
"1569441","8.6757","0.0004","8.874","0.0004","9.0989","0.0004","64.211","0.003","75.463","0.003","79.194","0.003","608.08","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N6 Si -","- C10 H14 N6 Si -","- C20 H28 N12 Si2 -","2","1","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0336","0.0308","","","0.077","0.0792","","","","","","1.08","","","","has coordinates","284989","2023-07-05","18:38:09",""
"1569442","10.064","0.0003","11.1921","0.0003","18.6757","0.0005","72.898","0.002","89","0.002","63.346","0.002","1780.7","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N18 O Si2 -","- C30 H38 N18 O Si2 -","- C60 H76 N36 O2 Si4 -","2","1","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0462","0.0385","","","0.0959","0.1019","","","","","","1.063","","","","has coordinates,has disorder","284989","2023-07-05","18:38:09",""
"1569443","15.9611","0.0002","21.1674","0.0003","22.6832","0.0003","90","","97.74","0.001","90","","7593.81","0.18","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N12 O Si -","- C23 H24 N12 O Si -","- C276 H288 N144 O12 Si12 -","12","3","","Herbig, Marcus; Kroke, Edwin; Wagler, Jörg","Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines","Crystals","2023","13","7","990","","10.3390/cryst13070990","","","0.71073","MoKα","","0.0506","0.0407","","","0.0939","0.101","","","","","","1.108","","","","has coordinates,has disorder","284989","2023-07-05","18:38:09",""
"1569444","11.0242","0.0003","16.5074","0.0004","11.0507","0.0002","90","","97.688","0.002","90","","1992.94","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl N4 S -","- C22 H19 Cl N4 S -","- C88 H76 Cl4 N16 S4 -","4","1","","Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M.","Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement","Crystals","2023","13","7","992","","10.3390/cryst13070992","","","0.71073","MoKα","","0.0671","0.0461","","","0.1106","0.123","","","","","","1.037","","","","has coordinates,has disorder","284990","2023-07-05","18:38:50",""
"1569445","12.1537","0.0005","12.8679","0.0005","15.0994","0.0005","70.272","0.003","69.417","0.003","67.402","0.004","1984.17","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl N4 S -","- C23 H17 Cl N4 S -","- C92 H68 Cl4 N16 S4 -","4","2","","Salama, Eid E.; Youssef, Mohamed F.; Boraei, Ahmed T. A.; Haukka, Matti; Soliman, Saied M.; Barakat, Assem; Sarhan, Ahmed A. M.","Base-Controlled Regiospecific Mono-Benzylation/Allylation and Diallylation of 4-Aryl-5-indolyl-1,2,4-triazole-3-thione: Thio-Aza Allyl Rearrangement","Crystals","2023","13","7","992","","10.3390/cryst13070992","","","1.54184","CuKα","","0.0344","0.0296","","","0.0747","0.078","","","","","","1.034","","","","has coordinates","284991","2023-07-05","18:39:15",""
"1569624","7.5287","0.0003","16.5771","0.0004","7.9737","0.0003","90","","113.925","0.004","90","","909.64","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H11 Cl2 Cu N5 -","- C4 H11 Cl2 Cu N5 -","- C16 H44 Cl8 Cu4 N20 -","4","1","","Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F.","Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes","Crystals","2023","13","8","1176","","10.3390/cryst13081176","","x-ray","0.71073","MoKα","","0.0261","0.0237","","","0.0631","0.0644","","","","","","1.078","","","","has coordinates,has disorder","285541","2023-08-05","16:32:16",""
"1569625","10.3808","0.0002","26.2761","0.0005","11.3407","0.0003","90","","101.374","0.002","90","","3032.62","0.12","99.99","0.11","99.99","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Cl5.01 Co2 N15 O3 -","- C12 H39 Cl5.0079 Co2 N15 O3 -","- C48 H156 Cl20.0316 Co8 N60 O12 -","4","1","","Pastrana-Dávila, Andrea; Minotta, Gianella; Ellena, Javier; Santiago, Pedro H. O.; D’Vries, Richard F.","Synthesis, Characterization and Structural Analysis of Two New Biguanide Complexes","Crystals","2023","13","8","1176","","10.3390/cryst13081176","","x-ray","0.71073","MoKα","","0.0467","0.0352","","","0.0688","0.0723","","","","","","1.084","","","","has coordinates,has disorder","285542","2023-08-05","16:32:56",""
"1569626","8.7792","0.0015","20.142","0.003","13.72","0.002","90","","91.957","0.002","90","","2424.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Co O8 Pb -","- C20 H28 Co O8 Pb -","- C80 H112 Co4 O32 Pb4 -","4","1","","Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V.","Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14]","Crystals","2023","13","7","1089","","10.3390/cryst13071089","","","0.71073","MoKα","","0.0975","0.0545","","","0.1296","0.1496","","","","","","1.029","","","","has coordinates","285543","2023-08-05","16:33:31",""
"1569627","23.8452","0.0006","10.7063","0.0003","16.3561","0.0004","90","","97.096","0.001","90","","4143.63","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H98 Co5 O28 Pb2 -","- C70 H98 Co5 O28 Pb2 -","- C140 H196 Co10 O56 Pb4 -","2","0.5","","Zhang, Yuxuan; Wei, Zheng; Dikarev, Evgeny V.","Synthesis, Structure, and Characterizations of a Heterobimetallic Heptanuclear Complex [Pb2Co5(acac)14]","Crystals","2023","13","7","1089","","10.3390/cryst13071089","","x-ray","0.49594","synchrotron","","0.0225","0.0198","","","0.0533","0.0542","","","","","","1.064","","","","has coordinates","285544","2023-08-05","16:34:01",""
"1569628","12.648","0.003","13.634","0.003","8.574","0.002","90","","97.801","0.008","90","","1464.8","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl N O3 -","- C6 H6 Cl N O3 -","- C48 H48 Cl8 N8 O24 -","8","2","","Johnson, Aidan V.; Piedade, M. Fátima M.; Esteves, Catarina V.","pH-Dependent Crystallization of 2-, 4-, 5-, and 6-Hydroxynicotinic Acids in Aqueous Media","Crystals","2023","13","7","1062","","10.3390/cryst13071062","","","0.71073","MoKα","","0.1619","0.1045","","","0.1444","0.1561","","","","","","1.202","","","","has coordinates","285545","2023-08-05","16:34:26",""
"1569629","9.5443","0.0001","9.5443","0.0001","7.5603","0.0001","90","","90","","120","","596.428","0.012","59.9","0.2","59.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0145","0.0145","","","0.0327","0.0327","","","","1.01","1.01","1.01","","","","has coordinates","285546","2023-08-05","16:34:57",""
"1569630","9.543","0.0001","9.543","0.0001","7.5634","0.0001","90","","90","","120","","596.51","0.012","25.01","0.13","25.01","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0162","0.0162","","","0.0379","0.0379","","","","1.01","1.01","1.01","","","","has coordinates","285547","2023-08-05","16:35:22",""
"1569631","9.5435","0.0001","9.5435","0.0001","7.5628","0.0001","90","","90","","120","","596.525","0.012","292.99","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.25 B4 Bi0.05 Fe2.75 O12 Sm0.95 -","- Al0.2499 B4 Bi0.05 Fe2.7501 O12 Sm0.95 -","- Al0.7497 B12 Bi0.15 Fe8.2503 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0118","0.0118","","","0.0161","0.0161","","","","1","1","1","","","","has coordinates","285548","2023-08-05","16:35:56",""
"1569632","9.5534","0.0001","9.5534","0.0001","7.5767","0.0001","90","","90","","120","","598.862","0.012","292.98","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.17 B4 Bi0.05 Fe2.83 O12 Sm0.95 -","- Al0.1701 B4 Bi0.05 Fe2.8299 O12 Sm0.95 -","- Al0.5103 B12 Bi0.15 Fe8.4897 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0118","0.0118","","","0.0167","0.0167","","","","1.02","1.02","1.02","","","","has coordinates","285549","2023-08-05","16:36:30",""
"1569633","9.5329","0.0001","9.5329","0.0001","7.5553","0.0001","90","","90","","120","","594.61","0.012","293.01","0.1","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0112","0.0112","","","0.0156","0.0156","","","","1.03","1.03","1.03","","","","has coordinates","285550","2023-08-05","16:37:03",""
"1569634","9.565","0.0001","9.565","0.0001","7.5869","0.0001","90","","90","","120","","601.125","0.012","293","0.1","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.05 Fe3 O12 Sm0.95 -","- B4 Bi0.05 Fe3 O12 Sm0.95 -","- B12 Bi0.15 Fe9 O36 Sm2.85 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0111","0.0111","","","0.0149","0.0149","","","","1.01","1.01","1.01","","","","has coordinates","285551","2023-08-05","16:37:31",""
"1569635","9.5443","0.0001","9.5443","0.0001","7.5598","0.0001","90","","90","","120","","596.388","0.012","150.01","0.1","150.01","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0172","0.017","","","0.0362","0.0363","","","","1.02","1.02","1.02","","","","has coordinates","285552","2023-08-05","16:38:04",""
"1569636","9.5595","0.0001","9.5595","0.0001","7.5816","0.0001","90","","90","","120","","600.015","0.012","292.98","0.14","293","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.07 B4 Bi0.07 Fe2.93 O12 Sm0.93 -","- Al0.0699 B4 Bi0.07 Fe2.9301 O12 Sm0.93 -","- Al0.2097 B12 Bi0.21 Fe8.7903 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0115","0.0115","","","0.0151","0.0151","","","","1.01","1.01","1.01","","","","has coordinates","285553","2023-08-05","16:38:37",""
"1569637","9.5444","0.0001","9.5444","0.0001","7.5601","0.0001","90","","90","","120","","596.424","0.012","79.9","0.2","79.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0155","0.0154","","","0.0339","0.034","","","","1.02","1.02","1.02","","","","has coordinates","285554","2023-08-05","16:39:11",""
"1569638","9.5439","0.0001","9.5439","0.0001","7.5624","0.0001","90","","90","","120","","596.543","0.012","29.98","0.17","29.98","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0152","0.0151","","","0.0348","0.0348","","","","1.02","1.02","1.02","","","","has coordinates","285555","2023-08-05","16:39:35",""
"1569639","9.5443","0.0001","9.5443","0.0001","7.5632","0.0001","90","","90","","120","","596.657","0.012","220","0.1","220","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0196","0.0193","","","0.0402","0.0403","","","","1.01","1.01","1.01","","","","has coordinates","285556","2023-08-05","16:40:02",""
"1569640","9.5452","0.0001","9.5452","0.0001","7.568","0.0001","90","","90","","120","","597.148","0.012","293","0.1","293","0.1","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0234","0.0224","","","0.0456","0.0462","","","","1","1","1","","","","has coordinates","285557","2023-08-05","16:40:33",""
"1569641","9.5438","0.0001","9.5438","0.0001","7.5616","0.0001","90","","90","","120","","596.468","0.012","39.9","0.3","39.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0147","0.0147","","","0.0329","0.0329","","","","1.02","1.02","1.02","","","","has coordinates","285558","2023-08-05","16:40:59",""
"1569642","9.5441","0.0001","9.5441","0.0001","7.5621","0.0001","90","","90","","120","","596.545","0.012","35","0.2","35","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0149","0.0148","","","0.0343","0.0344","","","","1","1","1","","","","has coordinates","285559","2023-08-05","16:41:23",""
"1569643","9.544","0.0001","9.544","0.0001","7.561","0.0001","90","","90","","120","","596.445","0.012","50","0.3","50","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0152","0.0151","","","0.0348","0.0349","","","","1.02","1.02","1.02","","","","has coordinates","285560","2023-08-05","16:41:59",""
"1569644","9.545","0.0001","9.545","0.0001","7.5598","0.0001","90","","90","","120","","596.476","0.012","109.9","0.3","109.9","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.0164","0.0163","","","0.0379","0.0379","","","","1","1","1","","","","has coordinates","285561","2023-08-05","16:42:24",""
"1569645","9.5446","0.0001","9.5446","0.0001","7.5602","0.0001","90","","90","","120","","596.457","0.012","70","0.2","70","","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 -","- Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93 -","- Al0.8397 B12 Bi0.21 Fe8.1603 O36 Sm2.79 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.","Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K","Crystals","2023","13","7","1128","","10.3390/cryst13071128","","x-ray","0.71073","MoKα","","0.015","0.0149","","","0.0334","0.0335","","","","1.02","1.02","1.02","","","","has coordinates","285562","2023-08-05","16:42:49",""
"1569803","60.5386","0.0009","62.2276","0.001","5.9086","0.0001","90","","90","","90","","22258.7","0.6","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C47 H31 N2 O7 Zn2 -","- C47 H31 N2 O7 Zn2 -","- C752 H496 N32 O112 Zn32 -","16","1","","Lee, Dong Hee; Park, In-Hyeok","Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand","Crystals","2023","13","8","1266","","10.3390/cryst13081266","","","0.71073","MoKα","","0.098","0.0866","","","0.2656","0.2826","","","","","","1.01","","","","has coordinates","286223","2023-09-06","03:35:26",""
"1569804","11.4402","0.0004","30.8405","0.001","27.0931","0.0009","90","","96.884","0.002","90","","9490.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H46 N2 O12 Zn3 -","- C74 H46 N2 O12 Zn3 -","- C296 H184 N8 O48 Zn12 -","4","0.5","","Lee, Dong Hee; Park, In-Hyeok","Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand","Crystals","2023","13","8","1266","","10.3390/cryst13081266","","","0.71073","MoKα","","0.1161","0.062","","","0.1673","0.1845","","","","","","0.994","","","","has coordinates,has disorder","286223","2023-09-06","03:35:26",""
"1569805","16.3093","0.0012","27.4589","0.0019","48.052","0.003","90","","97.288","0.004","90","","21346","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C296 H184 N8 O48 Zn8 -","- C296 H184 N8 O48 Zn8 -","- C592 H368 N16 O96 Zn16 -","2","0.5","","Lee, Dong Hee; Park, In-Hyeok","Zn(II) Metal–Organic Frameworks with a Long Spacer Ligand and a Tricarboxylate Coligand","Crystals","2023","13","8","1266","","10.3390/cryst13081266","","","0.71073","MoKα","","0.1939","0.0836","","","0.18","0.2066","","","","","","0.819","","","","has coordinates","286223","2023-09-06","03:35:27",""
"1569806","12.2791","0.0003","12.5594","0.0003","14.265","0.0003","92.774","0.001","115.24","0.001","92.827","0.001","1981.6","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H112 N2 O12 Zn3 -","- C92 H112 N2 O12 Zn3 -","- C92 H112 N2 O12 Zn3 -","1","0.5","","Lee, Dong Hee; An, Jaewook; Oh, Jihye; Park, In-Hyeok","Zinc(II) and Copper(II) Complexes of 4-Styrylpyridine and 1-Adamantanecarboxylic Acid: Syntheses, Crystal Structures, and Photopolymerization","Crystals","2023","13","8","1226","","10.3390/cryst13081226","","","0.71073","MoKα","","0.0988","0.0912","","","0.2742","0.2819","","","","","","1.077","","","","has coordinates,has disorder","286224","2023-09-06","03:36:09",""
"1569807","13.2103","0.0011","13.8734","0.0012","16.6325","0.0013","102.709","0.004","111.677","0.004","92.99","0.005","2733.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H148 Cu3 N6 O14 -","- C124 H148 Cu3 N6 O14 -","- C124 H148 Cu3 N6 O14 -","1","0.5","","Lee, Dong Hee; An, Jaewook; Oh, Jihye; Park, In-Hyeok","Zinc(II) and Copper(II) Complexes of 4-Styrylpyridine and 1-Adamantanecarboxylic Acid: Syntheses, Crystal Structures, and Photopolymerization","Crystals","2023","13","8","1226","","10.3390/cryst13081226","","","0.71073","MoKα","","0.1069","0.0616","","","0.1499","0.1716","","","","","","1.06","","","","has coordinates,has disorder","286224","2023-09-06","03:36:09",""
"1569808","14.6614","0.0005","15.9147","0.0006","18.0194","0.0007","90","","90","","90","","4204.5","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H17 Cd N9 O S2 -","- C16 H17 Cd N9 O S2 -","- C128 H136 Cd8 N72 O8 S16 -","8","1","","Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman","X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker","Crystals","2023","13","8","1198","","10.3390/cryst13081198","","","0.71073","MoKα","","0.0533","0.0297","","","0.0619","0.075","","","","","","1.099","","","","has coordinates","286225","2023-09-06","03:36:41",""
"1569809","9.323","0.004","10.936","0.005","11.312","0.006","112.637","0.01","104.547","0.011","105.133","0.01","944.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 Cd Cl N10 O -","- C14 H17 Cd Cl N10 O -","- C28 H34 Cd2 Cl2 N20 O2 -","2","1","","Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman","X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker","Crystals","2023","13","8","1198","","10.3390/cryst13081198","","","0.71073","MoKα","","0.0411","0.0329","","","0.0872","0.0972","","","","","","1.144","","","","has coordinates","286226","2023-09-06","03:37:03",""
"1569810","9.5129","0.0003","15.13","0.0003","17.615","0.0005","72.469","0.002","83.305","0.002","89.077","0.002","2400.6","0.12","295","9","295","9","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cl2 F6 N3 O3 -","- C22 H17 Cl2 F6 N3 O3 -","- C88 H68 Cl8 F24 N12 O12 -","4","2","","Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun","Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs","Crystals","2023","13","8","1241","","10.3390/cryst13081241","","x-ray","1.54184","CuKα","","0.1221","0.0946","","","0.2623","0.3136","","","","","","1.208","","","","has coordinates","286227","2023-09-06","03:37:40",""
"1569811","9.0555","0.0003","39.923","0.0009","12.6015","0.0004","90","","90.376","0.003","90","","4555.6","0.2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl2 F6 N3 O3 -","- C22 H17 Cl2 F6 N3 O3 -","- C176 H136 Cl16 F48 N24 O24 -","8","2","","Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun","Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs","Crystals","2023","13","8","1241","","10.3390/cryst13081241","","x-ray","0.71073","MoKα","","0.0634","0.0563","","","0.1481","0.1551","","","","","","1.058","","","","has coordinates","286228","2023-09-06","03:38:17",""
"1569812","12.6058","0.0007","20.0622","0.0015","9.0538","0.0005","90","","90","","90","","2289.7","0.2","113.15","","113.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H17 Cl2 F6 N3 O3 -","- C22 H17 Cl2 F6 N3 O3 -","- C88 H68 Cl8 F24 N12 O12 -","4","1","","Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun","Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs","Crystals","2023","13","8","1241","","10.3390/cryst13081241","","x-ray","0.71073","MoKα","","0.083","0.0518","","","0.0866","0.0971","","","","","","1.041","","","","has coordinates","286229","2023-09-06","03:38:40",""
"1569813","15.8313","0.0002","15.8313","0.0002","7.104","0.0001","90","","90","","120","","1541.94","0.04","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 -","- Al6 B3 Ca0.543 F0.586 H3 Li2.328 Mn0.672 Na0.457 Oi30.3961 Si6 -","- Al18 B9 Ca1.629 F1.758 H9 Li6.984 Mn2.016 Na1.371 Oi91.1883 Si18 -","3","0.166667","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.017","0.0166","","","0.0407","0.0409","","","","","","1.121","","","","has coordinates","286230","2023-09-06","03:39:08",""
"1569814","15.8839","0.0002","15.8839","0.0002","7.116","0.0001","90","","90","","120","","1554.82","0.04","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al8.08 B3.51 Ca0.25 F0.33 H3.36 Li0.76 Mn0.16 Na0.42 O31 Si5.49 -","- Al6 B3 Ca0.33 F0.5948 H3 Li1.869 Mn1.131 Na0.67 O30.4052 Si6 -","- Al18 B9 Ca0.99 F1.7844 H9 Li5.607 Mn3.393 Na2.01 O91.2156 Si18 -","3","0.166667","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.0176","0.0175","","","0.0436","0.0437","","","","","","1.129","","","","has coordinates","286231","2023-09-06","03:39:38",""
"1569815","15.8345","0.0002","15.8345","0.0002","7.1039","0.0001","90","","90","","120","","1542.54","0.04","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al24.24 B10.53 Ca0.74 F0.2 H10.08 Li2.27 Mn0.49 Na1.26 Oi93 Si16.47 -","- Al18 B9 Ca2.064 F1.7628 H9 Li7.074 Mn1.926 Na0.936 Oi91.2372 Si18 -","- Al18 B9 Ca2.064 F1.7628 H9 Li7.074 Mn1.926 Na0.936 Oi91.2372 Si18 -","1","0.0555556","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.0162","0.0161","","","0.0402","0.0403","","","","","","1.129","","","","has coordinates","286232","2023-09-06","03:40:04",""
"1569816","15.874","0.0003","15.874","0.0003","7.1138","0.0001","90","","90","","120","","1552.41","0.05","293","2","293","2","","","","","","","","10","R 3 m :H","R 3 -2""","160","","","","- Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 -","- Al6 B3 Ca0.501 F0.5851 H3 Li1.977 Mn1.023 Na0.499 Oi30.415 Si6 -","- Al18 B9 Ca1.503 F1.7553 H9 Li5.931 Mn3.069 Na1.497 Oi91.245 Si18 -","3","0.166667","","Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna","Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar","Crystals","2023","13","8","1290","","10.3390/cryst13081290","","","0.71073","MoKα","","0.0168","0.0168","","","0.0421","0.0421","","","","","","1.124","","","","has coordinates","286233","2023-09-06","03:40:32",""
"1569817","10.7987","0.0003","17.7255","0.0004","6.76698","0.00019","90","","90.698","0.003","90","","1295.19","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 N8 O4 S -","- C7 H14 N8 O4 S -","- C28 H56 N32 O16 S4 -","4","1","","Moskalenko, Ivan V.; Shilovskikh, Vladimir V.; Nesterov, Pavel V.; Novikov, Alexander S.; Omarova, Malika; Sadovnichii, Roman V.; Gurzhiy, Vladislav V.; Orekhov, Nikita D.; Skorb, Ekaterina V.","Supramolecular Assemblies of Melamine-2-Thiobarbiturate and Melamine-Barbiturate-2-Thiobarbiturate: Experimental and Theoretical Studies","Crystals","2023","13","9","1302","","10.3390/cryst13091302","","x-ray","1.54184","CuKα","","0.0453","0.0368","","","0.0989","0.1025","","","","","","1.088","","","","has coordinates","286234","2023-09-06","03:41:14",""
"1569818","10.8915","0.0006","16.5156","0.0006","7.7866","0.0004","90","","104.932","0.004","90","","1353.35","0.12","153","2","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N O3 Sb -","- C15 H14 N O3 Sb -","- C60 H56 N4 O12 Sb4 -","4","1","","Knerr, Steven; Böhme, Uwe; Herbig, Marcus","Coordinative Unsaturation in an Antimony(III)-Complex with the 2-Salicylidenaminophenolato Ligand: Synthesis, Crystal Structure, Spectroscopic Analysis, and DFT Studies","Crystals","2023","13","9","1300","","10.3390/cryst13091300","","","0.71073","MoKα","","0.0257","0.0231","","","0.0551","0.0571","","","","","","1.234","","","","has coordinates","286235","2023-09-06","03:41:40",""
"1570054","9.8109","0.0006","9.8109","0.0006","14.8403","0.0012","90","","90","","120","","1237.06","0.15","293","2","293","2","","","","","","","","3","P -3","-P 3","147","","","","- O25 P6 Pb10 -","- O25 P6 Pb10 -","- O50 P12 Pb20 -","2","0.333333","","Krivovichev, Sergey V.; Engel, Günther","The Crystal Structure of Pb10(PO4)6O Revisited: The Evidence of Superstructure","Crystals","2023","13","9","1371","","10.3390/cryst13091371","","","0.71073","MoKα","","0.0544","0.0413","","","0.0749","0.0771","","","","","","0.866","","","","has coordinates","286823","2023-10-06","06:51:17",""
"1570247","5.0471","0.0001","12.5114","0.0003","22.2915","0.0005","90","","90","","90","","1407.63","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","","1.54184","CuKα","","0.0384","0.0332","","","0.0768","0.0794","","","","","","1.046","","","","has coordinates","287433","2023-11-06","15:21:02",""
"1570248","14.9862","0.0002","4.8641","0.0001","20.3991","0.0003","90","","101.697","0.002","90","","1456.1","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N4 O2 -","- C18 H12 N4 O2 -","- C72 H48 N16 O8 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","","1.54184","CuKα","","0.0448","0.0397","","","0.1041","0.1086","","","","","","1.047","","","","has coordinates","287434","2023-11-06","15:21:25",""
"1570249","15.34","0.0004","5.0292","0.0001","16.7042","0.0004","90","","100.545","0.002","90","","1266.93","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","","1.54184","CuKα","","0.0382","0.0346","","","0.0863","0.089","","","","","","1.054","","","","has coordinates","287435","2023-11-06","15:21:50",""
"1570250","16.89752","0.00013","5.76627","0.00004","17.97633","0.00013","90","","113.947","0.0009","90","","1600.77","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","x-ray","1.54184","CuKα","","0.0373","0.0358","","","0.0927","0.0939","","","","","","1.053","","","","has coordinates","287436","2023-11-06","15:22:14",""
"1570517","8.8641","0.0007","10.0807","0.001","10.235","0.001","106.771","0.001","105.118","0.001","103.206","0.001","798.42","0.13","275","2","275","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Fe N12 Ni -","- C28 H32 Fe N12 Ni -","- C28 H32 Fe N12 Ni -","1","0.5","","Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi","The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives","Crystals","2023","13","12","1658","","10.3390/cryst13121658","","","0.71073","MoKa","","0.0588","0.0398","","","0.1114","0.1299","","","","","","0.747","","","","has coordinates","288092","2023-12-06","18:45:52",""
"1570518","9.4355","0.0012","9.9756","0.0012","12.5092","0.0016","98.322","0.002","93.508","0.002","115.15","0.002","1044.6","0.2","275","2","275","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Fe N12 Ni -","- C44 H40 Fe N12 Ni -","- C44 H40 Fe N12 Ni -","1","0.5","","Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi","The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives","Crystals","2023","13","12","1658","","10.3390/cryst13121658","","","0.71073","MoKα","","0.0542","0.0428","","","0.1302","0.1475","","","","","","0.927","","","","has coordinates","288093","2023-12-06","18:46:12",""
"1570519","16.452","0.007","7.273","0.003","7.423","0.003","90","","102.055","0.012","90","","868.6","0.6","275","2","275","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C14 H16 Fe N8 Ni -","- C14 H16 Fe N8 Ni -","- C28 H32 Fe2 N16 Ni2 -","2","0.25","","Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi","The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives","Crystals","2023","13","12","1658","","10.3390/cryst13121658","","","0.71073","MoKα","","0.0411","0.0299","","","0.0868","0.1005","","","","","","0.718","","","","has coordinates","288094","2023-12-06","18:46:30",""
"1570568","10.4642","0.0002","6.74981","0.00013","12.5396","0.0003","90","","102.739","0.002","90","","863.89","0.03","293","2","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Dy2 O5 Si -","- Dy2 O5 Si -","- Dy16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0329","0.0269","","","0.0561","0.0603","","","","","","1.168","","","","has coordinates","288377","2023-12-18","09:36:34",""
"1570569","10.4617","0.0003","6.74837","0.00016","12.5382","0.0003","90","","102.748","0.003","90","","863.37","0.04","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Dy2 O5 Si -","- Dy2 O5 Si -","- Dy16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0338","0.0277","","","0.0575","0.06","","","","","","1.152","","","","has coordinates","288378","2023-12-18","09:36:55",""
"1570570","10.369","0.0003","6.7028","0.0002","12.464","0.0003","90","","102.533","0.003","90","","845.62","0.04","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Er2 O5 Si -","- Er2 O5 Si -","- Er16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0388","0.0318","","","0.0653","0.0684","","","","","","1.18","","","","has coordinates","288379","2023-12-18","09:37:16",""
"1570571","10.4156","0.0002","6.7273","0.0001","12.5019","0.0003","90","","102.63","0.002","90","","854.8","0.03","293","","293","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Ho2 O5 Si -","- Ho2 O5 Si -","- Ho16 O40 Si8 -","8","1","","Ciomaga Hatnean, Vasile Cristian; Pui, Aurel; Simonov, Arkadiy; Ciomaga Hatnean, Monica","Crystal Growth of the R2SiO5 Compounds (R = Dy, Ho, and Er) by the Floating Zone Method Using a Laser-Diode-Heated Furnace","Crystals","2023","13","12","1687","","10.3390/cryst13121687","","","0.71073","MoKα","","0.0295","0.0264","","","0.0598","0.0614","","","","","","1.157","","","","has coordinates","288380","2023-12-18","09:37:37",""