# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:32:08+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 'CrystEngComm') AND volume = 25 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
"7245708","11.9497","0.0005","11.9497","0.0005","11.9497","0.0005","90","","90","","90","","1706.36","0.12","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Eu2.22 Ga11 Sn35 -","- Eu2.216 Ga10.996 Sn35.004 -","- Eu2.216 Ga10.996 Sn35.004 -","1","0.0208333","","Gunatilleke, Wilarachchige D. C. B.; Wong-Ng, Winnie; Zavalij, Peter Y.; Zhang, Mingjian; Chen, Yu-Sheng; Nolas, George S.","Revealing uncommon transport in the previously unascertained very low cation clathrate-I Eu2Ga11Sn35","CrystEngComm","2023","25","1","48","52","10.1039/D2CE01026G","","","0.41328","SynchrotronX-ray","","0.0095","0.0095","","","0.0215","0.0216","","","","","","1.224","","","","has coordinates","281407","2023-03-04","18:08:30",""
"7245784","10.7786","0.0006","12.6891","0.0007","14.2722","0.0008","77.497","0.001","86.221","0.001","67.301","0.001","1757.78","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.88 H2.88 Ag0.62 N0.12 O1.62 P0.5 -","- C3.875 H3 Ag0.625 N0.125 O1.625 P0.5 -","- C62 H48 Ag10 N2 O26 P8 -","16","8","","Gao, Chao-Ying; Mao, Chen; Yang, Yang; Xu, Ning; Liu, Jinglin; Chen, Xiaohong; Liu, Jinghai; Duan, Limei","Epoxide activation by a silver phosphonate for heterogeneous catalysis of CO2 cycloaddition","CrystEngComm","2023","25","1","108","113","10.1039/D2CE01240E","","","0.71073","MoKα","","0.0307","0.0268","","","0.0702","0.0748","","","","","","0.955","","","","has coordinates","281403","2023-03-04","18:07:22",""
"7245826","36.495","0.0004","16.3703","0.0002","60.2225","0.0006","90","","127.005","0.001","90","","28732.2","0.7","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -","- C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -","- C820 H1116 Br64 Dy32 N96 Ni64 O314 -","8","1","","Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu","Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster","CrystEngComm","2023","25","1","114","121","10.1039/D2CE01291J","","","1.54184","CuKα","","0.0916","0.078","","","0.1933","0.2022","","","","","","1.104","","","","has coordinates,has disorder","281402","2023-03-04","18:07:13",""
"7245842","10.1024","0.0002","10.91929","0.00018","13.0659","0.0003","90","","106.645","0.002","90","","1380.92","0.05","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0352","0.0335","","","0.0841","0.0856","","","","","","1.028","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245843","10.1101","0.0002","10.85749","0.00019","13.0218","0.0003","90","","107.285","0.002","90","","1364.85","0.05","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C60 H48 Br4 Cl4 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0134","0.0131","","","0.0334","0.0335","","","","","","1.045","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245844","9.98147","0.00015","10.86524","0.00017","12.8851","0.0002","90","","106.697","0.0017","90","","1338.48","0.04","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 Ni O2 -","- C30 H24 Cl4 N2 Ni O2 -","- C60 H48 Cl8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","1.54184","CuKα","","0.0225","0.0219","","","0.0571","0.0573","","","","","","1.058","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245845","10.0967","0.0001","10.85","0.0001","13.0172","0.0002","90","","107.314","0.001","90","","1361.41","0.03","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C60 H48 Br4 Cl4 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0141","0.0136","","","0.0325","0.0327","","","","","","1.064","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245846","10.1059","0.0001","10.9312","0.0001","13.0682","0.0001","90","","106.621","0.001","90","","1383.32","0.02","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","1.54184","CuKα","","0.0174","0.0174","","","0.0461","0.0461","","","","","","1.073","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245847","9.9679","0.0002","10.8655","0.0002","12.8831","0.0004","90","","106.713","0.003","90","","1336.38","0.06","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 Ni O2 -","- C30 H24 Cl4 N2 Ni O2 -","- C60 H48 Cl8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0272","0.0256","","","0.0647","0.0659","","","","","","1.054","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245849","9.2418","0.0013","11.9961","0.0014","14.365","0.0019","87.506","0.01","79.734","0.011","75.312","0.01","1515.9","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0834","0.0487","","","0.0895","0.1041","","","","","","1.088","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245850","9.1331","0.0005","12.2577","0.0006","14.8298","0.0007","87.379","0.004","80.456","0.004","74.276","0.004","1575.96","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0785","0.0457","","","0.0938","0.1087","","","","","","1.027","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245851","16.379","0.005","16.507","0.003","16.949","0.004","72.005","0.017","70.41","0.02","66.18","0.02","3868.6","1.8","153","2","153","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 I3 O4 -","- C39 H47 I3 O4 -","- C156 H188 I12 O16 -","4","2","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0718","0.0444","","","0.0915","0.1033","","","","","","1.028","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245852","9.543","0.003","13.487","0.004","14.872","0.003","112.213","0.019","93.826","0.019","90.32","0.02","1767.1","0.9","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H43 Br3 O4 -","- C37 H43 Br3 O4 -","- C74 H86 Br6 O8 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0703","0.0475","","","0.1009","0.1158","","","","","","1.069","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245853","26.4658","0.0018","10.9463","0.0005","27.261","0.002","90","","100.532","0.006","90","","7764.5","0.9","153","2","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Br9 O3 -","- C33 H27 Br9 O3 -","- C264 H216 Br72 O24 -","8","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0591","0.044","","","0.105","0.1149","","","","","","1.044","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245854","14.5959","0.0015","13.3943","0.0012","19.924","0.003","90","","100.189","0.009","90","","3833.8","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Br6 O4 -","- C37 H40 Br6 O4 -","- C148 H160 Br24 O16 -","4","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0489","0.0359","","","0.0827","0.091","","","","","","1.057","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245855","17.7349","0.0011","23.194","0.003","8.796","0.004","90","","97.162","0.014","90","","3589.9","1.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br9 O3 -","- C33 H27 Br9 O3 -","- C132 H108 Br36 O12 -","4","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0531","0.0309","","","0.056","0.0621","","","","","","1.009","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245870","30.0732","0.001","30.0732","0.001","29.0267","0.0011","90","","90","","120","","22734.6","1.4","298","1","298","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H342 N18 O104 Ti30 -","- C216 H342 N18 O104 Ti30 -","- C648 H1026 N54 O312 Ti90 -","3","0.166667","","Li, Huan; Cui, Xiaoqin; Li, Xin; Dong, Jing; Wang, Yuan; Zhang, Xian-Ming","A close-packed Ti6 and Ti12 nanocluster superstructure","CrystEngComm","2023","25","1","53","57","10.1039/D2CE01198K","","x-ray","1.54184","CuKα","","0.1774","0.1178","","","0.3109","0.3636","","","","","","1.133","","","","has coordinates,has disorder","281406","2023-03-04","18:08:21",""
"7245871","13.132","0.0004","6.6872","0.0002","13.2034","0.0004","90","","101.394","0.003","90","","1136.62","0.06","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 N3 O7 -","- C9 H11 N3 O7 -","- C36 H44 N12 O28 -","4","0.5","","Singh, Priyanka; Ahmad, Musheer; Siddiqui, Kafeel Ahmad","Bifunctional bis(2-carboxyethyl)isocyanurate crystal for high-performance photocatalytic degradation of rose bengal dye and luminescence sensing of PO43−, NO3−, Cl−, Cr2O72− and F− ions","CrystEngComm","2023","25","2","245","266","10.1039/D2CE01387H","","","0.71073","MoKα","","0.0635","0.0506","","","0.1455","0.162","","","","","","1.057","","","","has coordinates","281441","2023-03-04","18:17:01",""
"7245875","11.6559","0.0005","11.4576","0.0004","30.1022","0.0011","90","","94.1818","0.0012","90","","4009.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H90 Cl4 N6 O14 S6 Zn3 -","- C70 H90 Cl4 N6 O14 S6 Zn3 -","- C140 H180 Cl8 N12 O28 S12 Zn6 -","2","0.5","","Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun","Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand","CrystEngComm","2023","25","2","290","298","10.1039/D2CE01440H","","","0.71073","MoKα","","0.08","0.0712","","","0.1851","0.1907","","","","","","1.164","","","","has coordinates","281440","2023-03-04","18:16:55",""
"7245876","16.4499","0.0007","25.8927","0.0011","9.3733","0.0004","90","","90.8495","0.0012","90","","3992","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 N3 O9 S3 Zn -","- C39 H45 N3 O9 S3 Zn -","- C156 H180 N12 O36 S12 Zn4 -","4","1","","Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun","Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand","CrystEngComm","2023","25","2","290","298","10.1039/D2CE01440H","","","0.71073","MoKα","","0.1085","0.0964","","","0.2575","0.2677","","","","","","1.053","","","","has coordinates,has disorder","281440","2023-03-04","18:16:55",""
"7245877","9.6199","0.0007","9.1882","0.0005","17.4611","0.0011","90","","104.355","0.008","90","","1495.19","0.17","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu I4 N2 O6 -","- C26 H20 Cu I4 N2 O6 -","- C52 H40 Cu2 I8 N4 O12 -","2","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0522","0.0397","","","0.0825","0.0893","","","","","","1.048","","","","has coordinates,has disorder","281404","2023-03-04","18:07:42",""
"7245878","24.6536","0.0008","13.7854","0.0005","8.686","0.0003","90","","91.111","0.003","90","","2951.47","0.18","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu I4 N2 O6 -","- C26 H20 Cu I4 N2 O6 -","- C104 H80 Cu4 I16 N8 O24 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.075","0.0687","","","0.1492","0.1513","","","","","","1.203","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245879","32.1635","0.001","7.9649","0.0002","29.8771","0.001","90","","123.487","0.005","90","","6383.4","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37.33 H40 Cl2.67 Cu2 I2.67 N4 O4 -","- C37.3333 H40 Cl2.66667 Cu2 I2.66667 N4 O4 -","- C224 H240 Cl16 Cu12 I16 N24 O24 -","6","0.75","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0401","0.0349","","","0.0765","0.0788","","","","","","1.046","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245880","9.0941","0.0004","11.1084","0.0004","11.1815","0.0004","102.305","0.003","103.773","0.003","94.247","0.003","1062.57","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H17 Cl Cu I2 N2 O3 -","- C19 H17 Cl Cu I2 N2 O3 -","- C38 H34 Cl2 Cu2 I4 N4 O6 -","2","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0512","0.0395","","","0.0779","0.082","","","","","","1.026","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245881","7.8509","0.0003","8.4157","0.0005","10.9695","0.0006","79.902","0.005","77.108","0.004","87.265","0.004","695.52","0.06","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cu I4 N2 O6 -","- C24 H16 Cu I4 N2 O6 -","- C24 H16 Cu I4 N2 O6 -","1","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0397","0.0305","","","0.0568","0.0602","","","","","","1.027","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245882","11.0664","0.0006","11.0664","0.0006","23.521","0.002","90","","90","","90","","2880.5","0.3","140","2","140","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C75.2 H42.4 Cu4 I16 N9.6 O24 -","2","0.125","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0742","0.0539","","","0.147","0.1569","","","","","","1.089","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245883","17.3463","0.0003","17.3463","0.0003","19.8722","0.0005","90","","90","","90","","5979.4","0.2","140","2","140","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cu4 I8 N4 O12 -","- C52 H36 Cu4 I8 N4 O12 -","- C208 H144 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0679","0.0617","","","0.1165","0.1188","","","","","","1.16","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245884","17.7967","0.0006","17.7967","0.0006","19.2988","0.0009","90","","90","","90","","6112.4","0.4","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cu4 I8 N4 O12 -","- C52 H36 Cu4 I8 N4 O12 -","- C208 H144 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0403","0.0326","","","0.0834","0.0882","","","","","","1.023","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245885","8.5657","0.0002","11.8674","0.0002","13.5591","0.0003","89.25","0.001","85.618","0.001","89.773","0.001","1374.16","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","1","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0285","0.0229","","","0.0521","0.0537","","","","","","1.062","","","","has coordinates,has disorder","281404","2023-03-04","18:07:43",""
"7245886","9.9896","0.0005","7.298","0.0003","20.0687","0.001","90","","90.958","0.002","90","","1462.89","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu I2 N O3 -","- C13 H9 Cu I2 N O3 -","- C52 H36 Cu4 I8 N4 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0616","0.0519","","","0.1202","0.1241","","","","","","1.172","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245887","16.9289","0.0004","16.9289","0.0004","19.3081","0.0006","90","","90","","90","","5533.5","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H28 Cu4 I8 N4 O12 -","- C48 H28 Cu4 I8 N4 O12 -","- C192 H112 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0294","0.0256","","","0.0581","0.06","","","","","","1.077","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245888","5.2711","0.0007","14.3697","0.0017","23.766","0.003","90","","90","","90","","1800.1","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Cu I2 N2 O3 -","- C15 H12 Cu I2 N2 O3 -","- C60 H48 Cu4 I8 N8 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0595","0.0413","","","0.0816","0.0878","","","","","","0.952","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245889","9.3176","0.0003","11.6974","0.0004","11.8686","0.0004","73.151","0.003","71.895","0.003","89.946","0.003","1171.09","0.07","142","2","142","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 Cl Cu I2 N2 O3 -","- C21 H21 Cl Cu I2 N2 O3 -","- C42 H42 Cl2 Cu2 I4 N4 O6 -","2","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0465","0.0348","","","0.0672","0.0723","","","","","","1.009","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245890","17.7012","0.0004","17.7012","0.0004","20.5023","0.0008","90","","90","","90","","6424","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H44 Cu4 I8 N4 O12 -","- C56 H44 Cu4 I8 N4 O12 -","- C224 H176 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0477","0.0345","","","0.0813","0.089","","","","","","1.178","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245900","27.5957","0.0004","8.2299","0.0001","17.9221","0.0003","90","","96.375","0.001","90","","4045.12","0.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Br4 N2 Zn -","- C14 H20 Br4 N2 Zn -","- C112 H160 Br32 N16 Zn8 -","8","1","","Liu, Yu-Hang; Wang, Wen-Qi; Zhang, Bing-Lin; Wang, Yu-Jiao; Ren, Meng-Ping; Jing, Zhihong; Yue, Cheng-Yang","Zero-dimensional organic–inorganic hybrid zinc halide with broadband yellow light emission","CrystEngComm","2023","25","3","444","449","10.1039/D2CE01342H","","","1.54178","CuKα","","0.0456","0.0432","","","0.1052","0.1074","","","","","","1.154","","","","has coordinates","281466","2023-03-04","18:23:09",""
"7245901","15.25","0.002","15.25","0.002","6.8149","0.0014","90","","90","","120","","1372.6","0.4","150","2","150","2","","","","","","","","6","P 63","P 6c","173","","2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine tribromobenzene","","- C27 H15 Br3 Cl3 N3 O3 -","- C27 H15 Br3 Cl3 N3 O3 -","- C54 H30 Br6 Cl6 N6 O6 -","2","0.333333","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.0328","0.0267","","","0.0623","0.0642","","","","","","1.037","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245902","5.586","","6.054","","7.432","","110.74","","90.21","","117.34","","204.564","","","","","","","","","","","","","5","P -1","-P 1","2","","Silver Scandium Bis(chromate) Dihydrate","","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","1","0.5","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","","","","0.0348","","","","","","","","","","","","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245903","5.3058","0.0005","10.0452","0.0009","28.782","0.002","90","","91.144","0.007","90","","1533.7","0.2","297.15","","297.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br Cl N2 O4 -","- C14 H12 Br Cl N2 O4 -","- C56 H48 Br4 Cl4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.1371","0.0964","","","0.2016","0.2253","","","","","","1.078","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245904","5.6908","0.0002","10.0921","0.0004","27.4423","0.0009","90","","84.574","0.003","90","","1569.01","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br N2 O4 -","- C15 H15 Br N2 O4 -","- C60 H60 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.056","0.0377","","","0.0781","0.0856","","","","","","1.058","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245905","11.1782","0.0009","10.3856","0.0006","15.2063","0.0016","90","","107.016","0.009","90","","1688.1","0.3","294.8","0.3","294.8","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C64 H68 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0773","0.0467","","","0.0887","0.1028","","","","","","1.043","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245906","14.0434","0.0008","12.0064","0.0008","21.0629","0.0013","90","","90","","90","","3551.4","0.4","250.05","0.1","250.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br2 N2 O4 -","- C16 H16 Br2 N2 O4 -","- C128 H128 Br16 N16 O32 -","8","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0891","0.0483","","","0.0512","0.0596","","","","","","1.019","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245912","19.883","0.004","7.0318","0.0014","25.673","0.005","90","","90","","90","","3589.4","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C128 H96 N64 O16 S16 -","16","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.3369","0.0633","","","0.0536","0.0942","","","","","","0.704","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245913","9.8771","0.0005","5.1276","0.0002","17.5128","0.0011","90","","101.776","0.005","90","","868.28","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","x-ray","1.54184","CuKα","","0.0585","0.053","","","0.1424","0.1691","","","","","","1.104","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245914","19.421","0.004","11.05","0.002","8.1836","0.0016","90","","101.58","0.03","90","","1720.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C64 H48 N32 O8 S8 -","8","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.2322","0.1225","","","0.1831","0.2179","","","","","","1.047","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245916","16.112","0.006","7.649","0.003","29.1","0.013","90","","101.562","0.005","90","","3514","2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 N3 O5 Zn -","- C13 H9 N2 O4 Zn -","- C104 H72 N16 O32 Zn8 -","8","1","","Gong, Yi; Chen, Fei; Beamish-Cook, Jethro; Elsegood, Mark R. J.; Derbyshire, Max; Rowe, Oliver; Redshaw, Carl","Pillared MOFs: structure and ring opening polymerization of cyclic esters","CrystEngComm","2023","25","2","267","283","10.1039/D2CE01317G","","","0.71073","MoKα","","0.0499","0.042","","","0.1039","0.1077","","","","","","1.094","","","","has coordinates,has disorder","281437","2023-03-04","18:16:06",""
"7245917","12.1692","0.0005","12.1692","0.0005","18.022","0.0011","90","","90","","120","","2311.31","0.19","170","2","170","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H38 Cl4 Gd7 N3 O32 -","- C15 H38 Cl4 Gd7 N3 O32 -","- C30 H76 Cl8 Gd14 N6 O64 -","2","0.166667","","Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili","Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect","CrystEngComm","2023","25","2","309","313","10.1039/D2CE01350A","","","0.71073","MoKα","","0.0415","0.0327","","","0.0746","0.0798","","","","","","1.073","","","","has coordinates,has disorder","281442","2023-03-04","18:17:10",""
"7245918","12.0761","0.0003","12.0761","0.0003","17.8609","0.0005","90","","90","","120","","2255.73","0.1","100","","100","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H38 Cl4 Dy7 N3 O32 -","- C15 H38 Cl4.003 Dy7 N3 O32 -","- C30 H76 Cl8.006 Dy14 N6 O64 -","2","0.166667","","Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili","Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect","CrystEngComm","2023","25","2","309","313","10.1039/D2CE01350A","","x-ray","0.71073","MoKα","","0.0427","0.0373","","","0.0889","0.092","","","","","","1.134","","","","has coordinates,has disorder","281442","2023-03-04","18:17:11",""
"7245922","10.7519","0.0002","15.0363","0.0002","17.358","0.0003","71.4304","0.0013","81.7596","0.0016","84.38","0.0014","2628.59","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H134 Dy8 N20 O46 -","- C78 H130 Dy8 N18 O48 -","- C78 H130 Dy8 N18 O48 -","1","0.5","","Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism","CrystEngComm","2023","25","2","225","232","10.1039/D2CE01506D","","","1.54184","CuKα","","0.0927","0.0857","","","0.224","0.2326","","","","","","1.029","","","","has coordinates","281443","2023-03-04","18:17:21",""
"7245923","14.1647","0.0004","14.3993","0.0003","16.7338","0.0004","82.531","0.002","75.268","0.002","82.046","0.002","3253.05","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H158.39 Dy8 N18 O52 -","- C96 H170 Dy8 N16 O52 -","- C96 H170 Dy8 N16 O52 -","1","0.5","","Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism","CrystEngComm","2023","25","2","225","232","10.1039/D2CE01506D","","x-ray","1.54184","CuKα","","0.1075","0.1024","","","0.2773","0.2811","","","","","","1.098","","","","has coordinates","281443","2023-03-04","18:17:22",""
"7245927","12.2932","0.0006","13.6174","0.0006","16.6873","0.0008","110.386","0.002","93.646","0.002","100.428","0.002","2550.8","0.2","193","2","192.98","","","","","","","","","5","P -1","-P 1","2","","","","- C80 Cu4 F48 N6 O24 -","- C80 Cu4 F48 N6 O24 -","- C80 Cu4 F48 N6 O24 -","1","0.5","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1306","0.0908","","","0.2768","0.3032","","","","","","1.051","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245928","11.5153","0.0004","13.8164","0.0005","15.7733","0.0006","93.479","0.002","101.463","0.002","106.683","0.002","2337.35","0.15","173","2","172.97","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Cu3 F36 N6 O20 -","- C70 H54 Cu3 F36 N6 O20 -","- C70 H54 Cu3 F36 N6 O20 -","1","0.5","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.0958","0.0776","","","0.218","0.2308","","","","","","1.042","","","","has coordinates,has disorder","281461","2023-03-04","18:22:00",""
"7245929","18.0904","0.001","19.5106","0.0011","23.1862","0.0013","90","","100.466","0.003","90","","8047.5","0.8","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu Dy F30 N6 O18 -","- C65 H53 Cu Dy F30 N6 O18 -","- C260 H212 Cu4 Dy4 F120 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1255","0.0815","","","0.2432","0.273","","","","","","1.043","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245930","18.073","0.0014","19.5641","0.0015","23.334","0.002","90","","100.406","0.002","90","","8114.8","1.1","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu F30 N6 O18 Tb -","- C65 H53 Cu F30 N6 O18 Tb -","- C260 H212 Cu4 F120 N24 O72 Tb4 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1524","0.07","","","0.1622","0.2042","","","","","","1.018","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245931","18.0555","0.0015","19.5223","0.0016","23.2514","0.0017","90","","100.561","0.004","90","","8056.9","1.1","173","2","173.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H52 Cu F30 Gd N6 O18 -","- C65 H52 Cu F30 Gd N6 O18 -","- C260 H208 Cu4 F120 Gd4 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1321","0.0785","","","0.2196","0.2555","","","","","","1.06","","","","has coordinates,has disorder","281461","2023-03-04","18:22:00",""
"7245932","18.0246","0.0007","19.5088","0.0008","23.2859","0.001","90","","99.972","0.002","90","","8064.5","0.6","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H50 Cu F30 Ho N6 O18 -","- C65 H50 Cu F30 Ho N6 O18 -","- C260 H200 Cu4 F120 Ho4 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.0911","0.063","","","0.1861","0.2007","","","","","","1.049","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245936","9.4105","0.0014","9.5147","0.0014","9.8831","0.0015","106.078","0.002","94.529","0.002","92.03","0.002","846.1","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H14 Eu2 F4 N2 O10 S4 -","- C22 H14 Eu2 F4 N2 O10 S4 -","- C22 H14 Eu2 F4 N2 O10 S4 -","1","0.5","","Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun","Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations","CrystEngComm","2023","25","3","347","351","10.1039/D2CE01466A","","","0.71073","MoKα","","0.027","0.0254","","","0.065","0.0658","","","","","","1.042","","","","has coordinates","281458","2023-03-04","18:21:09",""
"7245937","16.6143","0.0005","10.5019","0.0003","8.8282","0.0003","90","","103.725","0.004","90","","1496.38","0.08","240.01","0.1","240.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 F2 N4 O5 S2 -","- C8 H18 F2 N4 O5 S2 -","- C32 H72 F8 N16 O20 S8 -","4","1","","Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun","Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations","CrystEngComm","2023","25","3","347","351","10.1039/D2CE01466A","","x-ray","0.71073","MoKα","","0.0354","0.0306","","","0.0802","0.0841","","","","","","1.068","","","","has coordinates","281458","2023-03-04","18:21:09",""
"7245938","6.6346","0.0004","13.3837","0.0008","15.6515","0.0009","88.032","0.002","86.315","0.002","79.276","0.003","1362.33","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 N4 S5 -","- C10 H4 N4 S5 -","- C40 H16 N16 S20 -","4","2","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0827","0.0579","","","0.144","0.1524","","","","","","1.096","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245939","7.5481","0.0002","7.7702","0.0002","12.5117","0.0003","74.645","0.001","85.362","0.002","69.681","0.001","663.54","0.03","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 N8 S8 Te2 -","- C18 H8 N8 S8 Te2 -","- C18 H8 N8 S8 Te2 -","1","0.5","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0248","0.0195","","","0.0402","0.0417","","","","","","1.102","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245940","9.8502","0.0005","10.6342","0.0005","14.8943","0.0007","90","","103.318","0.002","90","","1518.2","0.13","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H4 F4 N2 S5 -","- C12 H4 F4 N2 S5 -","- C48 H16 F16 N8 S20 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0543","0.0352","","","0.0637","0.0696","","","","","","1.038","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245941","11.0656","0.0004","8.8374","0.0003","12.0606","0.0004","90","","104.261","0.002","90","","1143.07","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 N4 S3 -","- C11 H6 N4 S3 -","- C44 H24 N16 S12 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0689","0.0495","","","0.1171","0.1254","","","","","","1.083","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245942","7.3298","0.0002","7.8942","0.0003","26.3901","0.0009","95.969","0.001","92.984","0.001","90.116","0.001","1516.63","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H6 N12 S6 Se3 -","- C21 H6 N12 S6 Se3 -","- C42 H12 N24 S12 Se6 -","2","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0644","0.0371","","","0.0545","0.0595","","","","","","1.044","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245945","8.2636","0.0017","13.032","0.003","14.403","0.003","83.04","0.03","83.82","0.03","89.68","0.03","1530.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H20 Cl2 Co N8 O4 -","- C36 H20 Cl2 Co N8 O4 -","- C72 H40 Cl4 Co2 N16 O8 -","2","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","0.71073","MoKα","","0.1697","0.1306","","","0.3517","0.3813","","","","","","1.094","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245946","8.7689","0.0003","14.4511","0.0003","15.1302","0.0005","85.962","0.002","88.842","0.002","82.075","0.002","1894.17","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 Cl4 Co3 N18 O20 -","- C72 H48 Cl4 Co3 N18 O20 -","- C72 H48 Cl4 Co3 N18 O20 -","1","0.5","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.0681","0.0648","","","0.2003","0.2055","","","","","","1.093","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245947","19.52525","0.00015","19.52525","0.00015","28.034","0.0002","90","","90","","120","","9255.69","0.12","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H12 Cl Co N5 O6 -","- C18 H12 Cl Co N5 O6 -","- C324 H216 Cl18 Co18 N90 O108 -","18","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.044","0.0427","","","0.1427","0.1447","","","","","","1.105","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245949","29.9967","0.0004","17.1308","0.0002","14.7811","0.0002","90","","90","","90","","7595.53","0.17","100","0.14","100","0.14","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","","1.54184","CuKα","","0.0571","0.0518","","","0.1471","0.1504","","","","","","1.088","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245950","14.7259","0.0002","17.3191","0.0002","30.0077","0.0004","90","","90","","90","","7653.14","0.17","99.98","0.12","99.98","0.12","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","x-ray","1.54178","CuKα","","0.0443","0.0426","","","0.1232","0.1251","","","","","","1.049","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245951","9.089","0.003","11.287","0.003","13.926","0.004","90","","90","","90","","1428.6","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 N5 S -","- C10 H23 N5 S -","- C40 H92 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0531","0.0441","","","0.1011","0.1061","","","","","","1.082","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245952","9.1606","0.0016","17.221","0.003","21.778","0.004","90","","90","","90","","3435.6","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H25 N5 S -","- C15 H25 N5 S -","- C120 H200 N40 S8 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0644","0.0584","","","0.1515","0.1574","","","","","","1.053","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245953","10.9568","0.0006","13.7361","0.0007","16.5427","0.0008","90","","90","","90","","2489.7","0.2","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H19 N3 S2 -","- C9 H19 N3 S2 -","- C72 H152 N24 S16 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0341","0.03","","","0.0637","0.0652","","","","","","1.153","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245954","17.8848","0.0014","6.9574","0.0004","23.625","0.0017","90","","90","","90","","2939.7","0.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H23.23 N3 S2 -","- C11 H23.2315 N3 S2 -","- C88 H185.852 N24 S16 -","8","2","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.078","0.0589","","","0.1132","0.1276","","","","","","1.097","","","","has coordinates,has disorder","281436","2023-03-04","18:15:58",""
"7245955","9.0734","0.0009","13.2194","0.0013","13.1558","0.0014","90","","107.249","0.004","90","","1507","0.3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N5 S -","- C13 H21 N5 S -","- C52 H84 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0823","0.0748","","","0.1862","0.1937","","","","","","1.035","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245959","15.5585","0.0002","16.1849","0.0003","7.6725","0.0001","90","","100.337","0.002","90","","1900.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cu N8 O -","- C21 H13 Cu N8 O -","- C84 H52 Cu4 N32 O4 -","4","1","","Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation","CrystEngComm","2023","25","3","417","424","10.1039/D2CE01497A","","","1.54184","CuKα","","0.0373","0.0333","","","0.0954","0.0971","","","","","","1.035","","","","has coordinates","281460","2023-03-04","18:21:33",""
"7245960","10.6532","0.0005","16.4768","0.0008","13.9291","0.0007","90","","102.397","0.002","90","","2388","0.2","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu N9 O -","- C24 H20 Cu N9 O -","- C96 H80 Cu4 N36 O4 -","4","1","","Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation","CrystEngComm","2023","25","3","417","424","10.1039/D2CE01497A","","","0.71073","MoKα","","0.1251","0.0627","","","0.1575","0.1822","","","","","","1.07","","","","has coordinates","281460","2023-03-04","18:21:33",""
"7245961","23.862","0.003","23.862","0.003","7.2102","0.0014","90","","90","","90","","4105.5","1.1","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C2.25 H1.5 Cl0.06 Cu0.25 N O1.25 -","- C2.25 H1.5 Cl0.0625 Cu0.25 N O1.25 -","- C72 H48 Cl2 Cu8 N32 O40 -","32","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.0718","0.0663","","","0.1906","0.1986","","","","","","1.175","","","","has coordinates","281457","2023-03-04","18:21:01",""
"7245962","13.7089","0.0004","26.6171","0.0006","15.8127","0.0004","90","","90","","90","","5769.9","0.3","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C20 H17 Cu2 N6.5 O6.5 -","- C20 H17 Cu2 N6.5 O6.5 -","- C160 H136 Cu16 N52 O52 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.062","0.055","","","0.155","0.1602","","","","","","1.069","","","","has coordinates","281457","2023-03-04","18:21:01",""
"7245963","26.3697","0.0017","13.479","0.0012","15.7382","0.0006","90","","90","","90","","5593.9","0.7","273","2","273.15","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C20 H16 Cu2 N6.5 O7.5 -","- C20 H16 Cu2 N6.5 O7.5 -","- C160 H128 Cu16 N52 O60 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.1414","0.1254","","","0.3314","0.3426","","","","","","1.148","","","","has coordinates,has disorder","281457","2023-03-04","18:21:01",""
"7245964","8.9457","0.0006","9.3395","0.0006","8.9601","0.0006","90","","92.48","0.002","90","","747.9","0.09","100","2","100.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C28 H36 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0593","0.0554","","","0.1487","0.1524","","","","","","1.049","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245965","6.9655","0.0003","9.4546","0.0005","14.4579","0.0007","90","","90.205","0.002","90","","952.13","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C36 H52 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0494","0.0417","","","0.0954","0.099","","","","","","1.075","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245966","9.828","0.001","14.0136","0.0014","15.9826","0.0016","101.543","0.003","96.517","0.003","94.398","0.002","2131.6","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N4 O5 -","- C8 H12 N4 O5 -","- C64 H96 N32 O40 -","8","4","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0547","0.0535","","","0.1558","0.1572","","","","","","1.069","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245967","6.7614","0.0003","17.1948","0.0007","9.2263","0.0004","90","","102.643","0.002","90","","1046.65","0.08","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.043","0.0369","","","0.0964","0.1001","","","","","","1.048","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245968","8.1649","0.0007","40.876","0.003","10.4997","0.0008","90","","92.5","0.002","90","","3500.9","0.5","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 O2 -","- C8 H11 N3 O2 -","- C128 H176 N48 O32 -","16","4","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0652","0.0416","","","0.0896","0.0994","","","","","","1.02","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245969","9.9111","0.0009","10.2045","0.0009","15.5393","0.0014","81.938","0.004","74.159","0.004","62.779","0.003","1344.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C40 H72 N16 O24 -","4","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0367","0.0362","","","0.0996","0.1001","","","","","","1.076","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245970","4.6981","0.0002","14.0421","0.0006","14.3987","0.0008","90","","99.168","0.002","90","","937.76","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N4 O3 -","- C8 H10 N4 O3 -","- C32 H40 N16 O12 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0436","0.0363","","","0.0889","0.093","","","","","","1.0525","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245971","9.3661","0.0003","36.0462","0.0012","7.5101","0.0003","90","","109.84","0.001","90","","2385.01","0.15","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N4 O5 -","- C9 H14 N4 O5 -","- C72 H112 N32 O40 -","8","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0621","0.0597","","","0.1507","0.1523","","","","","","1.0445","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245972","15.916","0.002","13.6511","0.0017","12.5195","0.0015","90","","107.201","0.004","90","","2598.5","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N7 O3 S2 Zn -","- C25 H24 N7 O3 S2 Zn -","- C100 H96 N28 O12 S8 Zn4 -","4","0.5","","Debsharma, Kingshuk; Dey, Sunanda; Das, Dhananjoy; Halder, Satyajit; Ortega-Castro, Joaquin; Sarkar, Sarita; Dutta, Basudeb; Maity, Suvendu; Jana, Kuladip; Frontera, Antonio; Ray, Partha Pratim; Sinha, Chittaranjan","Designing of a Zn(ii)-isonicotinohydrazido thiophenyl based 2D coordination polymer: structure, augmented photoconductivity and superior biological activity","CrystEngComm","2023","25","1","162","172","10.1039/D2CE01128J","","","0.71073","MoKα","","0.066","0.0489","","","0.1249","0.1385","","","","","","1.066","","","","has coordinates,has disorder","281408","2023-03-04","18:08:39",""
"7245980","6.4885","0.0006","14.7897","0.0014","13.388","0.0012","90","","97.518","0.003","90","","1273.7","0.2","273","2","273","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.54178","CuKα","","0.0655","0.0524","","","0.1632","0.1773","","","","","","1.3","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245981","6.445","","14.509","","13.037","","90","","97.96","","90","","1207.35","","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.45567","neutrons","","0.0422","0.0422","","","0.1011","0.1011","","","","","","1.293","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245982","6.4131","0.0001","14.5111","0.0002","13.5715","0.0002","90","","90.415","0.001","90","","1262.95","0.03","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Cl4 Fe N O1.5 -","- C7 H13 Cl4 Fe N O1.5 -","- C28 H52 Cl16 Fe4 N4 O6 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","0.71073","MoKα","","0.0238","0.0213","","","0.0467","0.0481","","","","","","1.051","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245990","15.6207","0.0007","11.8216","0.0005","17.4359","0.0008","90","","102.544","0.002","90","","3142.9","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N4 O7 Zn -","- C38 H26 N4 O7 Zn -","- C152 H104 N16 O28 Zn4 -","4","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.11","0.0531","","","0.0856","0.109","","","","","","1.054","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245991","24.4085","0.0008","7.3774","0.0002","16.2629","0.0005","90","","91.409","0.001","90","","2927.6","0.15","170","","170","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H26 N4 O6 Zn -","- C34 H26 N4 O6 Zn -","- C136 H104 N16 O24 Zn4 -","4","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.0681","0.0484","","","0.0977","0.1062","","","","","","1.138","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245992","15.2073","0.0006","15.9899","0.0006","17.3921","0.0007","115.193","0.001","101.925","0.001","92.73","0.001","3700.1","0.3","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 N8 O14 Zn2 -","- C92 H60 N8 O14 Zn2 -","- C184 H120 N16 O28 Zn4 -","2","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.0977","0.0551","","","0.098","0.1188","","","","","","1.055","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245994","7.685","0.002","9.764","0.003","52.921","0.016","90","","90","","90","","3971","2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 N6 O4 -","- C41 H56 N6 O4 -","- C164 H224 N24 O16 -","4","1","","Tiwari, Shubhanshu Ranjan; Gopi, Shanmukha Prasad; Kallem, Divya Jyothi; Chaturvedi, Deepika; Voguri, Raja Sekhar; Ramakrishnan, Srividya; Dey, Archan; Pal, Sharmistha","Physicochemical and thermodynamic evaluation of ibrutinib cocrystal formation with a long-chain fatty acid","CrystEngComm","2023","25","4","601","613","10.1039/D2CE01216B","","","0.71073","MoKα","","0.107","0.0599","","","0.1209","0.1385","","","","","","1.041","","","","has coordinates","281434","2023-03-04","18:15:21",""
"7245995","7.8327","0.0011","8.7671","0.0013","10.3665","0.0015","109.953","0.006","105.723","0.006","95.799","0.007","629.2","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H7 Cl2 Cu N O4 -","- C11 H7 Cl2 Cu N O4 -","- C22 H14 Cl4 Cu2 N2 O8 -","2","1","","Naaz, Sanobar; Das, Pubali; Mukherjee, Souvik; Khan, Samim; Pramanik, Goutam; Ghosh, Prasanta; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs","CrystEngComm","2023","25","5","813","821","10.1039/D2CE01331B","","","0.71073","MoKα","","0.0863","0.0841","","","0.2641","0.2653","","","","","","1.021","","","","has coordinates","281423","2023-03-04","18:12:37",""
"7245996","3.9181","0.0006","24.592","0.003","13.0589","0.0012","90","","96.386","0.011","90","","1250.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0706","0.0497","","","0.1209","0.1407","","","","","","1.058","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7245997","8.0931","0.0003","14.2729","0.0005","11.3085","0.0006","90","","94.304","0.004","90","","1302.58","0.1","293.23","0.1","293.23","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0555","0.05","","","0.1432","0.1494","","","","","","1.057","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7245998","7.4169","0.0002","14.166","0.003","11.8164","0.0003","90","","101.101","0.0011","90","","1218.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","","0.71073","MoKα","","0.0444","0.0383","","","0.0978","0.102","","","","","","1.052","","","","has coordinates,has disorder","281459","2023-03-04","18:21:21",""
"7245999","7.4767","0.0012","10.7575","0.0017","17.909","0.003","75.646","0.014","83.673","0.013","79.935","0.014","1370.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","2","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.1069","0.0567","","","0.1323","0.174","","","","","","1.005","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7246000","6.8139","0.0001","24.3841","0.0005","7.4421","0.0001","90","","93.896","0.002","90","","1233.65","0.04","300.42","0.1","300.42","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0438","0.0397","","","0.1167","0.1203","","","","","","1.096","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7246001","19.3362","0.0012","10.0456","0.0006","14.15","0.0007","90","","107.503","0.006","90","","2621.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","","1.54184","CuKα","","0.0557","0.0433","","","0.1168","0.1316","","","","","","1.041","","","","has coordinates,has disorder","281459","2023-03-04","18:21:21",""
"7246005","40.3","0.006","40.3","0.006","5.176","0.001","90","","90","","120","","7280","2","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H98 N12 O13 -","- C120 H98.0002 N12 O13 -","- C360 H294.001 N36 O39 -","3","0.166667","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.65","synchrotron","","0.071","0.0573","","","0.1746","0.1826","","","","","","1.144","","","","has coordinates,has disorder","281464","2023-03-04","18:22:51",""
"7246006","8.349","0.0017","16.722","0.003","11.913","0.002","90","","95.15","0.03","90","","1656.5","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.63","synchrotron","","0.0578","0.0545","","","0.1563","0.1594","","","","","","1.108","","","","has coordinates","281464","2023-03-04","18:22:51",""
"7246009","8.024","0.005","26.656","0.016","11.743","0.007","90","","107.018","0.009","90","","2402","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O13 Tb2 -","- C24 H14 O13 Tb2 -","- C96 H56 O52 Tb8 -","4","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","0.71073","MoKα","","0.1026","0.0865","","","0.166","0.174","","","","","","1.135","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246010","9.9148","","9.9148","","7.48","","90","","90","","120","","636.796","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Pentalead Tris(phosphate(V)) Iodide","","- I O12 P3 Pb5 -","- I O12 P3 Pb5 -","- I2 O24 P6 Pb10 -","2","0.166667","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","","","","","","","","","","","","","","","","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246011","5.1171","0.0006","7.2429","0.0007","11.4209","0.0011","85.712","0.005","77.27","0.005","80.208","0.005","406.56","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cu N4 O10 -","- C14 H14 Cu N4 O10 -","- C14 H14 Cu N4 O10 -","1","0.5","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","0.71073","MoKα","","0.0551","0.0395","","","0.0848","0.0917","","","","","","1.006","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246012","5.0894","0.0003","7.1344","0.0003","11.405","0.0004","86.127","0.003","77.266","0.004","81.424","0.004","399.15","0.03","99.9","0.4","99.9","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cu0.5 N2 O5 -","- C7 H7 Cu0.5 N2 O5 -","- C14 H14 Cu N4 O10 -","2","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","x-ray","1.54184","CuKα","","0.0393","0.0359","","","0.0975","0.099","","","","","","1.093","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246013","10.5484","0.0002","22.2344","0.0006","7.2264","0.00018","90","","102.125","0.002","90","","1657.05","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu N2 O8 -","- C17 H16 Cu N2 O8 -","- C68 H64 Cu4 N8 O32 -","4","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","x-ray","1.54184","CuKα","","0.0287","0.026","","","0.0732","0.0745","","","","","","1.067","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246015","23.393","0.005","8.6036","0.0019","13.597","0.003","90","","107.497","0.007","90","","2610","1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N10 O6 Zn -","- C22 H28 N10 O6 Zn -","- C88 H112 N40 O24 Zn4 -","4","0.5","","Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata","Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study","CrystEngComm","2023","25","5","866","876","10.1039/D2CE01445A","","","0.71073","MoKα","","0.0573","0.0363","","","0.0842","0.088","","","","","","0.972","","","","has coordinates","281420","2023-03-04","18:11:31",""
"7246016","9.473","0.004","13.927","0.006","13.293","0.005","90","","105.063","0.005","90","","1693.5","1.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Cl3 N5 O2 Zn -","- C11 H14 Cl3 N5 O2 Zn -","- C44 H56 Cl12 N20 O8 Zn4 -","4","1","","Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata","Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study","CrystEngComm","2023","25","5","866","876","10.1039/D2CE01445A","","","0.71073","MoKα","","0.0608","0.0346","","","0.0715","0.0804","","","","","","0.971","","","","has coordinates","281420","2023-03-04","18:11:31",""
"7246017","6.9649","0.0004","13.9228","0.0009","21.536","0.0014","106.716","0.002","91.562","0.002","103.885","0.002","1931.2","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","4-4","","- C33 H20 N2 O4 S6 -","- C33 H20 N2 O4 S6 -","- C66 H40 N4 O8 S12 -","2","1","","Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen","A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity","CrystEngComm","2023","25","4","508","512","10.1039/D2CE01614A","","","0.71073","MoKα","","0.1116","0.0777","","","0.2687","0.292","","","","","","1.114","","","","has coordinates","281432","2023-03-04","18:15:03",""
"7246018","6.261","0.0003","19.6413","0.0009","32.8415","0.0015","90","","94.938","0.001","90","","4023.7","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C33 H20 N2 O4 S6 -","- C33 H20 N2 O4 S6 -","- C132 H80 N8 O16 S24 -","4","1","","Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen","A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity","CrystEngComm","2023","25","4","508","512","10.1039/D2CE01614A","","","0.71073","MoKα","","0.1548","0.1219","","","0.3874","0.4128","","","","","","1.65","","","","has coordinates","281432","2023-03-04","18:15:03",""
"7246019","6.1","0.002","6.259","0.002","15.42","0.002","85.66","0.002","80.031","0.002","74.466","0.002","558.4","0.3","143","2","143","2","","","","","","","","4","P -1","-P 1","2","pregabalin","3-(aminomethyl)-5-methylhexanoic acid","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C16 H38 N2 O6 -","2","1","","Bosits, Miklós H.; Bereczki, Laura; Bombicz, Petra; Szalay, Zsófia; Pataki, Hajnalka; Demeter, Ádám","Design of diastereomeric salt resolution via multicomponent system characterization: a case study with hydrate formation","CrystEngComm","2023","25","4","641","652","10.1039/D2CE01490D","","","0.71073","MoKα","","0.1286","0.0921","","","0.2419","0.2678","","","","","","1.162","","","","has coordinates,has disorder","281428","2023-03-04","18:13:23",""
"7246020","18.40122","0.00019","17.9816","0.0002","22.503","0.0003","90","","103.67","0.0011","90","","7234.95","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N5 O4 -","- C19 H21 N5 O4 -","- C304 H336 N80 O64 -","16","4","","Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T.","Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine","CrystEngComm","2023","25","5","798","812","10.1039/D2CE01548J","","","1.54184","CuKα","","0.0461","0.0384","","","0.0995","0.1053","","","","","","1.032","","","","has coordinates","281419","2023-03-04","18:11:21",""
"7246021","7.85094","0.00007","17.15939","0.00018","14.25371","0.00012","90","","101.586","0.0008","90","","1881.1","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N5 O4 -","- C19 H21 N5 O4 -","- C76 H84 N20 O16 -","4","1","","Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T.","Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine","CrystEngComm","2023","25","5","798","812","10.1039/D2CE01548J","","","1.54184","CuKα","","0.0362","0.0347","","","0.096","0.0976","","","","","","1.048","","","","has coordinates","281419","2023-03-04","18:11:21",""
"7246024","16.053","0.003","7.0422","0.0014","21.68","0.004","90","","107.705","0.003","90","","2334.8","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Ag2 I3 N3 -","- C18 H20 Ag2 I3 N3 -","- C72 H80 Ag8 I12 N12 -","4","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0528","0.0382","","","0.0852","0.0917","","","","","","1.065","","","","has coordinates","281433","2023-03-04","18:15:13",""
"7246025","7.1992","0.0004","13.5373","0.0008","22.6977","0.0014","90","","90.181","0.001","90","","2212.1","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Ag2 I3 N2 O -","- C17 H21 Ag2 I3 N2 O -","- C68 H84 Ag8 I12 N8 O4 -","4","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0473","0.0426","","","0.1131","0.1156","","","","","","1.18","","","","has coordinates,has disorder","281433","2023-03-04","18:15:13",""
"7246026","8.1248","0.0007","13.8287","0.0012","22.9897","0.0019","100.297","0.002","93.606","0.002","103.612","0.002","2455.1","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Ag5 I7 N4 O4 -","- C36 H46 Ag5 I7 N4 O4 -","- C72 H92 Ag10 I14 N8 O8 -","2","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0561","0.0401","","","0.0902","0.0967","","","","","","1.058","","","","has coordinates,has disorder","281433","2023-03-04","18:15:13",""
"7246027","6.6663","0.0008","12.5943","0.0014","10.8361","0.0011","90","","91.856","0.01","90","","909.29","0.18","242.98","0.1","242.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N2 O3 S -","- C7 H10 N2 O3 S -","- C28 H40 N8 O12 S4 -","4","1","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.1196","0.1079","","","0.2922","0.3153","","","","","","1.106","","","","has coordinates","281417","2023-03-04","18:10:54",""
"7246028","12.6831","0.0003","10.8758","0.0002","6.7333","0.0002","90","","90","","90","","928.78","0.04","327.97","0.1","327.97","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0685","0.0662","","","0.2212","0.226","","","","","","1.125","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246029","12.6737","0.0004","10.861","0.0004","6.7004","0.0002","90","","90","","90","","922.3","0.05","292.96","0.1","292.96","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0787","0.0735","","","0.2213","0.2287","","","","","","1.111","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246035","14.192","0.004","3.6287","0.0009","15.065","0.003","90","","97.547","0.007","90","","769.1","0.3","298","2","298","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.1281","0.0791","","","0.1532","0.1726","","","","","","1.083","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246036","11.839","0.005","11.905","0.006","12.412","0.005","93.001","0.016","116.196","0.017","113.954","0.014","1376.1","1.1","360","2","360","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4441","0.1244","","","0.1771","0.3065","","","","","","0.937","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246037","11.855","0.004","11.927","0.005","12.429","0.004","93.021","0.016","116.163","0.016","113.993","0.013","1382.2","0.9","355","2","355","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.3987","0.1287","","","0.1479","0.2369","","","","","","0.929","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246038","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0651","0.0423","","","0.1499","0.0887","","","","","","1","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246039","11.819","0.003","11.875","0.004","12.418","0.004","92.958","0.009","116.097","0.01","114.336","0.01","1367.1","0.8","310","","310","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.2744","0.1036","","","0.1699","0.2485","","","","","","0.955","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246040","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0063","0.0054","","","0.0166","0.0206","","","","","","0.997","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246041","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0528","0.0294","","","0.0428","0.0331","","","","","","1.006","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246042","11.849","0.007","11.915","0.007","12.432","0.008","92.987","0.016","116.174","0.014","114.04","0.015","1379.8","1.5","350","2","350","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4006","0.1358","","","0.2096","0.3477","","","","","","1.0497","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246043","7.37","0.02","8.24","0.02","11.73","0.03","79.49","0.09","89.55","0.11","89.28","0.12","700","3","363","2","363","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4601","0.0882","","","0.1326","0.2508","","","","","","0.892","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7246045","10.9825","0.0001","22.9575","0.0002","23.0079","0.0002","90","","98.137","0.001","90","","5742.6","0.09","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Dy5 N3 O24 -","- C46 H59 Dy5 N3 O24 -","- C184 H236 Dy20 N12 O96 -","4","1","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","1.54184","CuKα","","0.0534","0.0486","","","0.1218","0.1244","","","","","","1.111","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246046","10.925","0.0003","11.2522","0.0004","16.2537","0.0005","96.322","0.003","98.838","0.002","111.745","0.003","1803.23","0.11","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Cl6 Dy4 N6 O14 -","- C60 H64 Cl6 Dy4 N6 O14 -","- C60 H64 Cl6 Dy4 N6 O14 -","1","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","","0.71073","MoKα","","0.0425","0.0293","","","0.0597","0.0658","","","","","","1.045","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246047","22.636","0.0003","16.7245","0.0002","23.9473","0.0003","90","","90","","90","","9065.9","0.2","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H84 Dy6 N6 O32 -","- C80 H96 Dy6 N8 O32 -","- C320 H384 Dy24 N32 O128 -","4","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","0.71073","MoKα","","0.0487","0.0382","","","0.0887","0.0967","","","","","","1.127","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246048","14.1814","0.0005","15.2007","0.0007","17.7267","0.0006","79.139","0.003","89.186","0.003","64.683","0.004","3382.9","0.3","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Dy2 N6 O14 -","- C62 H64 Dy2 N6 O14 -","- C124 H128 Dy4 N12 O28 -","2","1","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","","0.71073","MoKα","","0.0738","0.0471","","","0.0862","0.1062","","","","","","1.094","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246053","19.733","0.002","11.4151","0.001","45.913","0.004","90","","90.061","0.005","90","","10342.1","1.7","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H36 Co2 N4 O9.33 S -","- C30 H36 Co2 N4 O9.3333 S -","- C360 H432 Co24 N48 O112 S12 -","12","3","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0551","0.0418","","","0.1075","0.1152","","","","","","1.093","","","","has coordinates","281444","2023-03-04","18:17:39",""
"7246054","10.9212","0.0017","11.0738","0.0017","18.188","0.003","81.668","0.005","83.745","0.005","64.344","0.004","1959.2","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Co2 N4 O9 S2 -","- C34 H44 Co2 N4 O9 S2 -","- C68 H88 Co4 N8 O18 S4 -","2","1","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0581","0.0441","","","0.1348","0.157","","","","","","0.835","","","","has coordinates,has disorder","281444","2023-03-04","18:17:39",""
"7246059","12.0496","0.0005","10.0022","0.0003","17.5237","0.0006","90","","100.888","0.002","90","","2073.98","0.13","300","","300","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 Cl2 N10 Ni -","- C36 H28 Cl2 N10 Ni -","- C72 H56 Cl4 N20 Ni2 -","2","0.5","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.065","0.0574","","","0.1625","0.1685","","","","","","1.059","","","","has coordinates","281424","2023-03-04","18:12:48",""
"7246060","8.9394","0.0009","9.4121","0.0009","10.6613","0.001","72.028","0.002","70.686","0.002","77.774","0.002","799.2","0.13","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C36 H30 N10 O2 -","2","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.0919","0.0526","","","0.1261","0.1496","","","","","","1.022","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246061","7.623","0.011","10.098","0.015","11.325","0.017","110.36","0.03","103.14","0.03","95.07","0.03","782","2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 Cl N5 -","- C18 H14 Cl N5 -","- C36 H28 Cl2 N10 -","2","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.1672","0.0803","","","0.2193","0.305","","","","","","0.942","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246062","24.2098","0.0006","10.0344","0.0002","17.4741","0.0004","90","","101.13","0.001","90","","4165.16","0.16","293","","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H41 Cl Co N10 O8 -","- C36 H41 Cl Co N10 O8 -","- C144 H164 Cl4 Co4 N40 O32 -","4","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.084","0.0674","","","0.2103","0.2266","","","","","","1.098","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246063","18.1682","0.0002","21.115","0.0002","23.715","0.0003","90.108","0.001","109.627","0.001","106.649","0.001","8161.1","0.17","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C266 H377 Cu12 Dy14 N30 O119.5 -","- C266 H377 Cu12 Dy14 N30 O119.25 -","- C266 H377 Cu12 Dy14 N30 O119.25 -","1","0.5","","Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu","Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster","CrystEngComm","2023","25","1","114","121","10.1039/D2CE01291J","","","1.54184","CuKα","","0.0609","0.0555","","","0.1448","0.15","","","","","","1.018","","","","has coordinates,has disorder","280071","2023-01-01","00:18:39",""
"7246064","3.812","0.003","8.905","0.004","10.498","0.005","90","","95.02","0.04","90","","355","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-nitrobenzo[<i>c</i>][1,2,5]thiadiazole","","- C6 H3 N3 O2 S -","- C6 H3 N3 O2 S -","- C12 H6 N6 O4 S2 -","2","1","","Gentile, Francesco Silvio; Parisi, Emmanuele; Centore, Roberto","Journeys in crystal energy landscapes: actual and virtual structures in polymorphic 5-nitrobenzo[c][1,2,5]thiadiazole","CrystEngComm","2023","25","5","859","865","10.1039/D2CE01619B","","x-ray","0.71073","MoKα","","0.0717","0.0478","","","0.1085","0.1229","","","","","","1.044","","","","has coordinates","281421","2023-03-04","18:11:36",""
"7246065","8.4102","0.0002","24.2114","0.0006","15.6405","0.0004","90","","91.32","0.001","90","","3183.92","0.14","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 O17.5 Zn3 -","- C32 H24 O17.5 Zn3 -","- C128 H96 O70 Zn12 -","4","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71073","MoKα","","0.0444","0.0356","","","0.1003","0.1062","","","","","","1.069","","","","has coordinates","280082","2023-01-03","23:34:18",""
"7246066","7.1877","0.0003","10.8583","0.0004","12.6345","0.0005","104.476","0.001","91.4","0.001","94.091","0.001","951.42","0.07","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N0 O9.5 Zn2 -","- C16 H12 O9.5 Zn2 -","- C32 H24 O19 Zn4 -","2","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71073","MoKα","","0.0259","0.0252","","","0.085","0.0855","","","","","","1.022","","","","has coordinates,has disorder","280082","2023-01-03","23:34:18",""
"7246067","24.416","0.002","13.1343","0.0013","18.2143","0.0019","90","","97.684","0.003","90","","5788.6","1","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 N10 O15.5 Zn3 -","- C57 H56 N10 O15.5 Zn3 -","- C228 H224 N40 O62 Zn12 -","4","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71076","MoKα","","0.0903","0.0665","","","0.1773","0.1925","","","","","","1.053","","","","has coordinates,has disorder","280082","2023-01-03","23:34:19",""
"7246077","23.2569","0.001","19.241","0.0008","28.2143","0.0014","90","","101.344","0.002","90","","12378.9","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H141 Co7 Dy N15 O43 -","- C102 H102 Co7 Dy N12 O28 -","- C408 H408 Co28 Dy4 N48 O112 -","4","1","","Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan","Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior","CrystEngComm","2023","25","5","726","737","10.1039/D2CE01381A","","","0.71073","MoKα","","0.1038","0.0648","","","0.1294","0.142","","","","","","1.083","","","","has coordinates","281418","2023-03-04","18:11:08",""
"7246078","11.9878","0.0017","13.463","0.0019","19.444","0.003","103.072","0.002","97.912","0.002","100.201","0.002","2956.3","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Co2 Dy2 N12 O25.5 -","- C44 H44 Co2 Dy2 N10 O23 -","- C88 H88 Co4 Dy4 N20 O46 -","2","1","","Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan","Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior","CrystEngComm","2023","25","5","726","737","10.1039/D2CE01381A","","","0.71073","MoKα","","0.0736","0.0457","","","0.0842","0.0895","","","","","","1.146","","","","has coordinates","281418","2023-03-04","18:11:08",""
"7246079","6.8","0.1","11.2","0.2","17.7","0.4","78.4","0.5","83.9","0.5","72.9","0.5","1261","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","triphenylene-TCNQ","","- C30 H16 N4 -","- C30 H16 N4 -","- C60 H32 N8 -","2","1","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.502","0.4104","","","0.6773","0.7287","","","","","","2.925","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246080","9.4","0.2","7.18","0.05","32.2","0.2","90","","98.4","0.5","90","","2150","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TCNQF2, Triphenylene","7,7,8,8-tetracyanoquinodimethane, 9,10-Benzophenanthrene Isochrysene Benzo[l]phenanthrene","","- C30 H14 F2 N4 -","- C30 H14 F2 N4 -","- C120 H56 F8 N16 -","4","1","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.373","0.3066","","","0.6648","0.7159","","","","","","1.156","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246081","17.8","0.4","17.4","0.3","9.2","0.18","90","","130.3","0.5","90","","2173","8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Triphenylene-TCNQF4","","- C30 H12 F4 N4 -","- C30 H12 F4 N4 -","- C120 H48 F16 N16 -","4","0.5","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.4199","0.3533","","","0.5815","0.6369","","","","","","2.461","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246082","20.123","0.005","21.977","0.006","20.646","0.006","90","","95.924","0.01","90","","9082","4","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H76 F10 N4 -","- C66 H76 F10 N4 -","- C264 H304 F40 N16 -","4","0.5","","Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei","Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions","CrystEngComm","2023","25","5","785","797","10.1039/D2CE01306A","","","0.71073","MoKα","","0.1966","0.1377","","","0.3982","0.4714","","","","","","1.6081","","","","has coordinates","281422","2023-03-04","18:12:31",""
"7246083","22.241","0.008","10.099","0.004","20.932","0.007","90","","93.166","0.006","90","","4694","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Co N6 O4 -","- C24 H23 Co N6 O4 -","- C192 H184 Co8 N48 O32 -","8","1","","Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei","Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions","CrystEngComm","2023","25","5","785","797","10.1039/D2CE01306A","","","0.71073","MoKα","","0.1112","0.0921","","","0.2291","0.244","","","","","","1.045","","","","has coordinates,has disorder","281422","2023-03-04","18:12:31",""
"7246084","8.94","0.005","12.233","0.005","14.394","0.005","87.621","0.005","72.178","0.005","77.266","0.005","1461.2","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N8 O10 Zn2 -","- C23 H20 N8 O10 Zn2 -","- C46 H40 N16 O20 Zn4 -","2","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.071","0.0509","","","0.1156","0.1246","","","","","","1.091","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246085","8.1969","0.0008","9.3522","0.0009","10.159","0.001","104.479","0.003","113.104","0.003","105.177","0.003","634.41","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N8 O10 Zn2 -","- C22 H20 N8 O10 Zn2 -","- C22 H20 N8 O10 Zn2 -","1","0.5","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0432","0.04","","","0.1044","0.1063","","","","","","1.126","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246086","10.8004","0.0008","15.8656","0.0013","16.4535","0.0013","90","","91.071","0.003","90","","2818.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd2 N8 O10 -","- C23 H20 Cd2 N8 O10 -","- C92 H80 Cd8 N32 O40 -","4","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0301","0.0227","","","0.0534","0.0587","","","","","","1.105","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246087","8.7683","0.0007","12.2482","0.0009","14.431","0.0009","87.618","0.002","72.671","0.002","77.004","0.003","1441.05","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O10 Zn2 -","- C23 H18 N8 O10 Zn2 -","- C46 H36 N16 O20 Zn4 -","2","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.1033","0.0899","","","0.24","0.2565","","","","","","1.02","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246088","10.8053","0.0012","15.8625","0.0017","16.4783","0.0018","90","","90.987","0.003","90","","2823.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd2 N8 O10 -","- C23 H20 Cd2 N8 O10 -","- C92 H80 Cd8 N32 O40 -","4","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0511","0.0379","","","0.0888","0.1013","","","","","","1.058","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246089","8.4948","0.0008","8.8675","0.0008","9.1411","0.0009","62.811","0.002","72.947","0.002","87.063","0.002","582.78","0.1","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","1","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0149","0.0149","","","0.0406","0.0406","","","","","","1.09","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246090","10.639","0.003","11.7","0.002","13.178","0.003","77.2","0.01","75.01","0.04","66","0.01","1434.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl N5 O10 -","- C28 H32 Cl N5 O10 -","- C56 H64 Cl2 N10 O20 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0744","0.0546","","","0.1532","0.175","","","","","","0.929","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246091","9.761","0.001","10.491","0.001","14.285","0.002","69.04","0.01","80.93","0.01","82.77","0.01","1345.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl N5 O5 -","- C29 H30 Cl N5 O5 -","- C58 H60 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0441","0.038","","","0.1005","0.1053","","","","","","1.022","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246092","11.189","0.001","11.669","0.001","12.054","0.002","102.4","0.05","113.18","0.04","108.06","0.05","1269.3","1.1","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 Cl N5 O5 -","- C25 H30 Cl N5 O5 -","- C50 H60 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0836","0.057","","","0.1745","0.2038","","","","","","1.251","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246093","10.615","0.001","11.596","0.001","11.894","0.001","101.11","0.05","111.12","0.05","108.46","0.04","1215.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl N5 O5 -","- C24 H29 Cl N5 O5 -","- C48 H58 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0725","0.0533","","","0.1283","0.142","","","","","","1.031","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246094","24.266","0.004","6.249","0.001","17.38","0.002","90","","110.14","0.04","90","","2474.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N5 O6 -","- C25 H27 Cl N5 O6 -","- C100 H108 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0824","0.0586","","","0.1279","0.1393","","","","","","1.044","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246095","14.917","0.001","10.099","0.001","16.199","0.001","90","","103.04","0.01","90","","2377.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N5 O6 -","- C24 H25 Cl N5 O6 -","- C96 H100 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0661","0.0454","","","0.1316","0.158","","","","","","0.982","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246096","18.068","0.009","9.615","0.005","16.759","0.008","90","","116.929","0.007","90","","2596","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl N7 O4 -","- C27 H28 Cl N7 O4 -","- C108 H112 Cl4 N28 O16 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.1523","0.0728","","","0.1911","0.2466","","","","","","1.274","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246097","10.4","0.001","11.282","0.001","11.611","0.001","103.39","0.02","108.85","0.02","106.42","0.02","1155.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Cl N5 O5 -","- C24 H28 Cl N5 O5 -","- C48 H56 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0854","0.0686","","","0.1676","0.1808","","","","","","1.031","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246098","12.954","0.005","10.892","0.004","19.82","0.009","90","","98.09","0.01","90","","2768.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl N5 O6 -","- C29 H30 Cl N5 O6 -","- C116 H120 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.1324","0.0557","","","0.1357","0.1999","","","","","","0.96","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246099","10.37099","0.00005","5.98542","0.00003","7.72496","0.00004","90","","116.584","0.0005","90","","428.831","0.004","293","","293","1","","","","","","","","4","C 1 2/m 1","-C 2y","12","K5Eu(MoO4)4","K5Eu(MoO4)4","","- Eu K5 Mo4 O16 -","- Eu K5 Mo4 O16 -","- Eu K5 Mo4 O16 -","1","0.125","","Posokhova, Svetlana M.; Morozov, Vladimir A.; Deyneko, Dina V.; Redkin, Boris S.; Spassky, Dmitry A.; Nagirnyi, Vitali; Belik, Alexei A.; Hadermann, Joke; Pavlova, Erzhena T.; Lazoryak, Bogdan I.","K5Eu(MoO4)4 red phosphor for solid state lighting applications, prepared by different techniques","CrystEngComm","2023","25","5","835","847","10.1039/D2CE01107G","powder diffraction","x-ray","0.65297","synchrotron","","0.0983","0.0927","","0.1293","0.1284","","","","5.32","","","","","","","has coordinates","281425","2023-03-04","18:13:00",""
"7246100","8.278","0.003","13.527","0.004","12.503","0.004","90","","90","","90","","1400","0.8","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.0582","0.032","","","0.0541","0.0605","","","","","","1.027","","","","has coordinates","281448","2023-03-04","18:18:20",""
"7246101","6.3129","0.0003","30.172","0.0012","7.2937","0.0004","90","","90","","90","","1389.25","0.11","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","MBFP","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","0.5","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.1015","0.0578","","","0.12","0.1354","","","","","","1.108","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246102","4.1264","0.0006","10.7891","0.0016","31.194","0.004","90","","90","","90","","1388.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.265","0.0966","","","0.1438","0.1874","","","","","","1.006","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246103","8.6693","0.0013","7.9704","0.0006","9.8968","0.0007","90","","105.644","0.009","90","","658.51","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.077","0.0413","","","0.0895","0.1108","","","","","","1.069","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246104","8.5435","0.0009","7.5706","0.0004","9.2993","0.0005","90","","111.2","0.006","90","","560.77","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0587","0.0366","","","0.0792","0.0883","","","","","","1.092","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246105","8.6626","0.001","7.9208","0.0004","9.782","0.0005","90","","106.599","0.007","90","","643.22","0.09","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.064","0.0369","","","0.0814","0.1008","","","","","","1.052","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246106","8.496","0.005","7.51","0.002","9.249","0.003","90","","111.96","0.03","90","","547.3","0.4","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0595","0.0377","","","0.0849","0.0985","","","","","","1.139","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246107","8.6512","0.0013","7.8496","0.0006","9.6513","0.0008","90","","107.785","0.009","90","","624.08","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0554","0.0375","","","0.0728","0.082","","","","","","1.052","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246108","8.6567","0.0016","7.8828","0.0007","9.7114","0.0009","90","","107.244","0.011","90","","632.91","0.15","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0599","0.0352","","","0.0783","0.0937","","","","","","1.097","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246109","8.6419","0.001","7.8197","0.0004","9.6036","0.0006","90","","108.174","0.007","90","","616.61","0.09","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.058","0.0365","","","0.0849","0.0946","","","","","","1.042","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246110","8.672","0.0006","7.9508","0.0003","9.8213","0.0003","90","","106.235","0.004","90","","650.17","0.06","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.033","0.0253","","","0.0612","0.0642","","","","","","1.071","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246111","8.616","0.005","7.706","0.002","9.438","0.003","90","","109.78","0.03","90","","589.7","0.4","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0502","0.0348","","","0.071","0.076","","","","","","1.038","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246112","8.6285","0.0009","7.7531","0.0004","9.4944","0.0005","90","","109.104","0.005","90","","600.17","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.029","0.0236","","","0.0592","0.0622","","","","","","1.103","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246113","8.5889","0.0009","7.6517","0.0004","9.3709","0.0005","90","","110.256","0.005","90","","577.77","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0286","0.0236","","","0.0601","0.0624","","","","","","1.093","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246114","8.526","0.002","7.5312","0.0009","9.2654","0.0012","90","","111.625","0.013","90","","553.07","0.17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0516","0.0333","","","0.0708","0.0797","","","","","","1.106","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246115","8.562","0.002","7.6058","0.0009","9.3306","0.0012","90","","110.868","0.013","90","","567.76","0.17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0616","0.0397","","","0.0841","0.092","","","","","","1.045","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246116","8.574","0.0013","7.6158","0.0005","9.3347","0.0007","90","","110.657","0.007","90","","570.35","0.11","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0308","0.0262","","","0.0634","0.0659","","","","","","1.141","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246117","8.6334","0.0014","7.7827","0.0007","9.5468","0.0009","90","","108.729","0.01","90","","607.49","0.13","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.047","0.0298","","","0.0662","0.072","","","","","","1.067","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246118","8.6185","0.0007","7.7238","0.0003","9.4573","0.0004","90","","109.454","0.004","90","","593.61","0.06","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.031","0.0242","","","0.0626","0.0658","","","","","","1.097","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246127","8.1197","0.0006","8.363","0.0006","8.3902","0.0005","94.326","0.005","99.044","0.005","110.439","0.005","521.98","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-(4,6-diamino-1,3,5-triazin-2-yl)pyridin-2(1H)-one methanol solvate","","- C9 H12 N6 O2 -","- C9 H12 N6 O2 -","- C18 H24 N12 O4 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0555","0.0427","","","0.1127","0.1227","","","","","","1.025","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246128","7.8788","0.0003","8.8064","0.0003","8.8494","0.0003","115.81","0.001","99.266","0.002","97.192","0.002","532.2","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 I N6 O -","- C8 H9 I N6 O -","- C16 H18 I2 N12 O2 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0433","0.0426","","","0.12","0.1217","","","","","","1.143","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246129","8.0907","0.0005","8.6941","0.0005","10.2522","0.0007","72.622","0.003","88.326","0.003","68.746","0.003","638.89","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N6 O3 -","- C11 H16 N6 O3 -","- C22 H32 N12 O6 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0509","0.0437","","","0.1178","0.1256","","","","","","1.051","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246130","9.9536","0.0004","10.7657","0.0004","13.1905","0.0005","80.79","0.002","76.962","0.002","63.772","0.002","1232.3","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N6 O2 -","- C11 H14 N6 O2 -","- C44 H56 N24 O8 -","4","2","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0451","0.0416","","","0.1217","0.1259","","","","","","1.072","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246131","11.8893","0.0001","18.4452","0.0002","12.5023","0.0001","90","","93.4284","0.0004","90","","2736.85","0.04","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 N12 O7 -","- C22 H34 N12 O7 -","- C88 H136 N48 O28 -","4","0.5","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0381","0.0374","","","0.0987","0.0998","","","","","","1.07","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246132","22.3831","0.0005","6.8419","0.0002","20.4027","0.0005","90","","115.981","0.0014","90","","2808.77","0.13","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N6 O4 -","- C11 H18 N6 O4 -","- C88 H144 N48 O32 -","8","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0351","0.0337","","","0.0899","0.0916","","","","","","1.035","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246133","8.6213","0.0005","36.7554","0.0016","9.9466","0.0006","90","","113.343","0.007","90","","2893.9","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N2 O6 -","- C35 H28 N2 O6 -","- C140 H112 N8 O24 -","4","1","","Kusumoto, Sotaro; Sato, Kei; Muraie, Kouki; Masuda, Shunya; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient ionic cocrystal composed of trimesic acid and 4-styrylpyridine","CrystEngComm","2023","25","6","909","912","10.1039/D2CE01592G","","","0.71073","MoKα","","0.0989","0.0633","","","0.1399","0.1597","","","","","","1.075","","","","has coordinates,has disorder","281447","2023-03-04","18:18:13",""
"7246140","7.908","0.0006","9.8092","0.0005","17.5752","0.0009","86.93","0.004","78.372","0.005","69.784","0.006","1252.89","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H24 O8 -","- C33 H24 O8 -","- C66 H48 O16 -","2","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0672","0.0527","","","0.146","0.1547","","","","","","1.059","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246141","27.4335","0.0007","18.9368","0.0006","12.766","0.0005","90","","90","","90","","6632","0.4","100","0.1","100","0.1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C33 H26 Cd2 O11 -","- C33 H26 Cd2 O11 -","- C264 H208 Cd16 O88 -","8","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0889","0.065","","","0.1674","0.1821","","","","","","1.045","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246142","7.794","0.0003","14.7078","0.0006","15.9272","0.0006","67.884","0.004","86.175","0.003","82.86","0.003","1677.93","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 Cd2 O16 -","- C33 H36 Cd2 O16 -","- C66 H72 Cd4 O32 -","2","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","","0.71075","MoKα","","0.0588","0.0441","","","0.1019","0.1076","","","","","","1.035","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246143","8.7984","0.0001","16.7929","0.0002","16.479","0.0002","90","","98.082","0.001","90","","2410.6","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br4 -","- C29 H20 Br4 -","- C116 H80 Br16 -","4","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","","0.71075","MoKα","","0.0247","0.0208","","","0.0497","0.0509","","","","","","1.05","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246155","10.493","0.005","15.94","0.005","28.368","0.005","95.591","0.005","94.067","0.005","102.427","0.005","4591","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Ca2 N24 O34 S4 -","- C64 H60 Ca2 N24 O34 S4 -","- C128 H120 Ca4 N48 O68 S8 -","2","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.1151","0.0681","","","0.1798","0.2001","","","","","","1.024","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246156","15.569","0.005","17.153","0.005","19.58","0.005","106.089","0.005","104.52","0.005","103.928","0.005","4585","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Ba2 N24 O31 S4 -","- C64 H60 Ba2 N24 O31 S4 -","- C128 H120 Ba4 N48 O62 S8 -","2","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.0521","0.0377","","","0.0974","0.1033","","","","","","1.024","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246157","20.282","0.005","15.713","0.005","24.849","0.005","90","0.005","101.101","0.005","90","0.005","7771","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 N24 O22 S2 Sr -","- C52 H51 N24 O22 S2 Sr -","- C208 H204 N96 O88 S8 Sr4 -","4","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.1645","0.11","","","0.2208","0.2387","","","","","","1.015","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246180","12.3693","0.0007","13.7755","0.0008","13.7884","0.0008","66.873","0.002","73.72","0.002","84.454","0.002","2073.8","0.2","279","2","279","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H51 Co2 N16 O54 P W12 -","- C52 H50 Co2 N16 O54 P W12 -","- C52 H50 Co2 N16 O54 P W12 -","1","0.5","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0636","0.057","","","0.1542","0.1596","","","","","","1.07","","","","has coordinates,has disorder","283220","2023-05-05","01:31:40",""
"7246181","13.2416","0.0015","13.5875","0.0017","16.296","0.002","87.365","0.005","74.269","0.004","88.263","0.005","2818.7","0.6","147","2","147","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Ag Mo12 N8 O46 P -","- C26 H26 Ag Mo12 N8 O46 P -","- C52 H52 Ag2 Mo24 N16 O92 P2 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0503","0.0357","","","0.0747","0.0822","","","","","","1.051","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246182","13.2571","0.0005","13.5874","0.0004","16.3513","0.0006","87.088","0.001","74.542","0.001","88.095","0.001","2834.55","0.17","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Ag N8 O46 P W12 -","- C26 H26 Ag N8 O46 P W12 -","- C52 H52 Ag2 N16 O92 P2 W24 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0558","0.0345","","","0.0622","0.0707","","","","","","1.082","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246183","13.1265","0.0005","13.5756","0.0005","16.1574","0.0007","87.674","0.002","74.37","0.002","87.989","0.002","2769.62","0.19","147","2","147","","","","","","","","","7","P -1","-P 1","2","","triclinic","","- C26 H27 Ag Mo12 N8 O46 Si -","- C26 H26 Ag Mo12 N8 O46 Si -","- C52 H52 Ag2 Mo24 N16 O92 Si2 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","x-ray","0.71076","MoKα","","0.0621","0.0435","","","0.1091","0.1235","","","","","","1.059","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246184","17.2241","0.0011","13.6928","0.0007","17.4462","0.0011","90","","97.709","0.002","90","","4077.4","0.4","295","2","295.15","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C52 H47 N16 Ni2 O52 P W12 -","- C52 H46 N16 Ni2 O52 P W12 -","- C104 H92 N32 Ni4 O104 P2 W24 -","2","0.5","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0979","0.0956","","","0.2655","0.2672","","","","","","1.188","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246190","7.9637","0.0002","9.4953","0.0002","17.6571","0.0004","104.23","0.0006","95.441","0.0007","97.9255","0.0007","1270.29","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N8 O7 -","- C23 H28 N8 O7 -","- C46 H56 N16 O14 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.0526","0.045","","","0.1181","0.1261","","","","","","1.028","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246191","8.5911","0.0002","8.6242","0.0002","13.5809","0.0003","105.737","0.0006","90.1053","0.0006","93.157","0.0006","966.89","0.04","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 F N6 O5 -","- C18 H21 F N6 O5 -","- C36 H42 F2 N12 O10 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.042","0.0364","","","0.0938","0.0995","","","","","","1.068","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246192","9.0355","0.0006","10.9956","0.0007","11.9267","0.0007","108.007","0.0018","111.568","0.0018","99.678","0.002","993.38","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N4 O5 -","- C20 H24 N4 O5 -","- C40 H48 N8 O10 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.081","0.0492","","","0.1254","0.1476","","","","","","1.042","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246193","11.2418","0.0011","16.0951","0.0015","24.413","0.003","90","","99.814","0.003","90","","4352.6","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N6 O6 -","- C19 H26 N6 O6 -","- C152 H208 N48 O48 -","8","2","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.095","0.0612","","","0.1595","0.1932","","","","","","1.023","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7246194","9.2745","0.0002","9.8947","0.0002","13.565","0.0002","83.663","0.001","81.113","0.002","72.576","0.002","1170.74","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 O2 S -","- C27 H18 O2 S -","- C54 H36 O4 S2 -","2","1","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0426","0.0402","","","0.1227","0.1249","","","","","","1.093","","","","has coordinates,has disorder","281451","2023-03-04","18:19:11",""
"7246195","8.9516","0.0004","10.6649","0.0005","12.0474","0.0004","81.82","0.003","77.034","0.003","67.133","0.004","1030.78","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 O S0.5 -","- C14 H10 O S0.5 -","- C56 H40 O4 S2 -","4","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0578","0.0543","","","0.1593","0.1648","","","","","","1.08","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246196","12.0602","0.0004","8.4487","0.0003","23.7592","0.0008","90","","92.455","0.003","90","","2418.67","0.14","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0725","0.0687","","","0.1984","0.2006","","","","","","1.078","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246197","15.2306","0.0002","33.5647","0.0005","9.1666","0.0001","90","","93.316","0.001","90","","4678.22","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C248 H192 O32 -","8","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.071","0.0581","","","0.1544","0.1617","","","","","","1.037","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246198","14.866","0.005","16.411","0.005","17.012","0.005","90","0.005","90","0.005","90","0.005","4150","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N4 Ni O2 S2 Zn -","- C19 H16 N4 Ni O2 S2 Zn -","- C152 H128 N32 Ni8 O16 S16 Zn8 -","8","1","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0624","0.0685","","","","","","1.014","","","","has coordinates","281455","2023-03-04","18:20:22",""
"7246199","9.222","0.005","9.277","0.005","13.294","0.005","75.339","0.005","74.263","0.005","72.671","0.005","1026.5","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Hg2 N8 Ni2 O4 S4 -","- C38 H32 Hg2 N8 Ni2 O4 S4 -","- C38 H32 Hg2 N8 Ni2 O4 S4 -","1","0.5","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0525","0.0412","","","0.1092","0.1165","","","","","","1.049","","","","has coordinates","281455","2023-03-04","18:20:32",""
"7246202","19.4327","0.0011","9.488","0.0006","35.303","0.002","90","","90","","90","","6509.1","0.7","294.72","","294.72","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H54 Co2 N8 O15 S2 -","- C64 H54 Co2 N8 O15 S2 -","- C256 H216 Co8 N32 O60 S8 -","4","0.5","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","1.54178","CuKα","K-L~3~","0.1424","0.1054","","","0.2906","0.3188","","","","","","1.074","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246203","9.2921","0.0003","13.1111","0.0004","13.6693","0.0005","76.752","0.001","73.666","0.001","80.394","0.001","1546.2","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 N4 Ni O10 S -","- C32 H30 N4 Ni O10 S -","- C64 H60 N8 Ni2 O20 S2 -","2","1","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0342","0.0286","","","0.0747","0.0777","","","","","","1.042","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246204","9.2776","0.0003","13.4671","0.0005","13.8215","0.0005","75.836","0.001","75.089","0.001","79.265","0.001","1603.94","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cd N4 O10 S -","- C32 H30 Cd N4 O10 S -","- C64 H60 Cd2 N8 O20 S2 -","2","1","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.058","0.043","","","0.0754","0.0833","","","","","","1.146","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246205","13.0347","0.0006","15.9789","0.0008","16.0282","0.0007","70.535","0.001","79.28","0.001","87.925","0.001","3091.4","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27.75 N4 O8 S Zn -","- C32 H27 N4 O7.75 S Zn -","- C128 H108 N16 O31 S4 Zn4 -","4","2","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0979","0.0462","","","0.0953","0.1131","","","","","","1.005","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246219","3.958","0.0002","18.2868","0.0008","20.5693","0.0008","90","","90","","90","","1488.79","0.12","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Yang, Ying; Zhao, Jianjuan; Zhang, Xinyuan; Hu, Zhanggui; Wu, Yicheng","Synthesis and characterization of a new isoxazolone-based nonlinear optical crystal: MPMOI","CrystEngComm","2023","25","8","1313","1318","10.1039/D2CE01299E","","","1.54178","CuKα","","0.0516","0.0432","","","0.0967","0.1045","","","","","","1.099","","","","has coordinates","281410","2023-03-04","18:08:58",""
"7246220","19.0475","0.0014","7.487","0.0005","7.5538","0.0005","90","","96.033","0.006","90","","1071.27","0.13","292.97","0.1","292.97","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.1095","0.0959","","","0.271","0.2856","","","","","","1.149","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246221","5.3186","0.0004","5.3186","0.0004","40.261","0.008","90","","90","","90","","1138.9","0.3","403.02","0.1","403.02","0.1","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.0525","0.0483","","","0.1316","0.1353","","","","","","1.138","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246222","5.3091","0.0001","5.3091","0.0001","39.5281","0.0018","90","","90","","90","","1114.16","0.06","403","0.1","403.15","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 N2 -","- C16 Cd Cl4 N2 -","- C32 Cd2 Cl8 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","","0.71073","MoKα","","0.0331","0.0313","","","0.0836","0.0842","","","","","","1.116","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246223","20.0721","0.0017","7.3523","0.0006","7.4427","0.0005","90","","94.274","0.007","90","","1095.31","0.15","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cd Cl4 F2 N2 -","- C16 H22 Cd Cl4 F2 N2 -","- C32 H44 Cd2 Cl8 F4 N4 -","2","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.0514","0.0419","","","0.1071","0.1133","","","","","","0.993","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246224","5.2977","0.0002","5.2977","0.0002","40.592","0.003","90","","90","","90","","1139.24","0.1","408.01","0.1","408.15","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","","0.71073","MoKα","","0.051","0.0505","","","0.1354","0.1362","","","","","","1.27","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246225","7.3756","0.0005","7.4398","0.0005","38.942","0.002","90","","90","","90","","2136.9","0.2","293.01","0.1","293.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cd Cl4 N2 -","- C16 H24 Cd Cl4 N2 -","- C64 H96 Cd4 Cl16 N8 -","4","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.075","0.0543","","","0.1294","0.1406","","","","","","1.108","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246227","17.7039","0.0011","19.5216","0.0012","5.51938","0.00027","90","","91.1706","0.0027","90","","1907.15","0.19","","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Fenbendazole - Maleic acid","","- C19 H17 N3 O6 S -","- C19 H17 N3 O6 S -","- C76 H68 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.246","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246228","26.15106","0.0009","5.62505","0.00016","16.88572","0.0004","90","","46.3627","0.0019","90","","1797.66","0.11","","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Fenbendazole - Oxalic acid","","- C17 H15 N3 O6 S -","- C17 H15 N3 O6 S -","- C68 H60 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.5","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246238","14.2119","0.0004","9.8544","0.0003","14.989","0.0004","90","","104.136","0.001","90","","2035.64","0.1","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H12 N2 O5 Zn -","- C20 H12 N2 O5 Zn -","- C80 H48 N8 O20 Zn4 -","4","1","","Bej, Sourav; Das, Riyanka; Kundu, Debojyoti; Pal, Tapan K.; Banerjee, Priyabrata","A de novo strategy for the development of a ZnII–organic framework based luminescent “switch-on” assay for size-exclusive sensitization of the oxidised form of glutathione (GSSG) over the reduced form (GSH): insights into the sensing mechanism through DFT","CrystEngComm","2023","25","11","1626","1636","10.1039/D2CE01600A","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","282328","2023-04-04","10:13:32",""
"7246239","13.635","0.018","21.87","0.02","17.252","0.018","90","","111.89","0.05","90","","4774","9","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Fe2 N6 O12 -","- C12 H12 Fe2 N6 O12 -","- C48 H48 Fe8 N24 O48 -","4","0.5","","Tang, Wenlei; Shao, Zhen-Wu; Xiong, Li; Zhang, Zhiyuan; Tan, Kaiyuan; Feng, Xuan; Wu, Wenjing; Liu, Chong","A siderophore-inspired two-dimensional Fe–hydroxamate metal–organic framework","CrystEngComm","2023","25","10","1462","1466","10.1039/D3CE00022B","","x-ray","1.34139","GaKα","","0.1491","0.0922","","","0.282","0.3227","","","","","","0.965","","","","has coordinates,has disorder","282315","2023-04-04","10:08:32",""
"7246240","17.628","0.002","5.4719","0.0007","21.601","0.003","90","","96.194","0.002","90","","2071.4","0.5","100","0.2","100","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H23 Cl2 N O6 -","- C21 H23 Cl2 N O6 -","- C84 H92 Cl8 N4 O24 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","0.71073","MoKα","","0.0449","0.0407","","","0.0885","0.0912","","","","","","1.068","","","","has coordinates,has disorder","282327","2023-04-04","10:13:22",""
"7246241","7.1781","0.0003","7.832","0.0003","41.7968","0.0016","90","","90","","90","","2349.77","0.16","298","0.2","298","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl2 N O8 -","- C21 H27 Cl2 N O8 -","- C84 H108 Cl8 N4 O32 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","1.54178","CuKα","","0.0718","0.0597","","","0.1636","0.1764","","","","","","1.039","","","","has coordinates","282327","2023-04-04","10:13:25",""
"7246242","13.356","0.012","13.382","0.012","14.538","0.013","77.483","0.013","75.916","0.013","76.218","0.014","2413","4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H38 Cd3 N4 O14 -","- C66 H38 Cd3 N4 O14 -","- C66 H38 Cd3 N4 O14 -","1","0.5","","Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.","Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2","CrystEngComm","2023","25","12","1775","1781","10.1039/D2CE01582J","","","0.71073","MoKα","","0.278","0.1078","","","0.1854","0.2082","","","","","","0.947","","","","has coordinates,has disorder","282333","2023-04-04","10:15:23",""
"7246243","12.986","0.006","13","0.007","13.638","0.007","78.032","0.008","78.169","0.007","80.196","0.007","2184.7","1.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Cd3 N8 O12 -","- C78 H46 Cd3 N8 O12 -","- C78 H46 Cd3 N8 O12 -","1","0.5","","Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.","Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2","CrystEngComm","2023","25","12","1775","1781","10.1039/D2CE01582J","","","0.71073","MoKα","","0.2405","0.1034","","","0.2081","0.2376","","","","","","1.047","","","","has coordinates,has disorder","282333","2023-04-04","10:15:28",""
"7246244","26.17","0.005","26.17","0.005","43.516","0.014","90","","90","","90","","29803","13","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Mg24 O78 S24 -","- C312 H288 Mg24 O78 S24 -","- C624 H576 Mg48 O156 S48 -","2","0.125","","Zhang, Jiamao; Deng, Yue; Wang, Shentang; Yang, Jun; Hu, Shanshan","A calixarene-based coordination cage as an efficient luminescent sensor for Fe3+, MnO4−, NB and 2,4-DNP in aqueous medium","CrystEngComm","2023","25","10","1495","1500","10.1039/D2CE01508K","","","0.71073","MoKα","","0.0916","0.0752","","","0.2404","0.2535","","","","","","1.138","","","","has coordinates","282318","2023-04-04","10:09:20",""
"7246245","37.5848","0.0003","37.5848","0.0003","37.5848","0.0003","90","","90","","90","","53092.9","0.7","200.01","0.1","200.01","0.1","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C120 H48 B12 Fe6 N36 O68 Zr6 -","- C120 H48 B12 Fe6 N36 O68 Zr6 -","- C480 H192 B48 Fe24 N144 O272 Zr24 -","4","0.0208333","","Shetty, Suchetha; Idrees, Karam B.; Xie, Haomiao; Alameddine, Bassam; Farha, Omar K.","Synthesis of zirconium-based metal–organic frameworks with iron(ii) clathrochelate ligands","CrystEngComm","2023","25","10","1550","1555","10.1039/D2CE01686A","","x-ray","1.54184","CuKα","","0.0879","0.0793","","","0.2163","0.2257","","","","","","1.058","","","","has coordinates,has disorder","282313","2023-04-04","10:08:07",""
"7246246","7.284","0.0013","8.5719","0.0013","13.363","0.002","93.005","0.013","102.411","0.013","92.991","0.013","812","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","phenanthridin-6(5<i>H</i>)-one – perfluorobenzoic acid","","- C20 H10 F5 N O3 -","- C20 H10 F5 N O3 -","- C40 H20 F10 N2 O6 -","2","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0704","0.0633","","","0.1813","0.1907","","","","","","1.057","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246247","5.6381","0.001","8.0585","0.0014","23.653","0.004","90","","95.658","0.014","90","","1069.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pyridin-2(1<i>H</i>)-one – perfluorophenol","","- C11 H6 F5 N O2 -","- C11 H6 F5 N O2 -","- C44 H24 F20 N4 O8 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0667","0.0526","","","0.1418","0.1522","","","","","","1.085","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246248","7.9484","0.0009","7.1832","0.0005","26.471","0.003","90","","93.279","0.009","90","","1508.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzo[<i>cd</i>]indol-2(1<i>H</i>)-one – perfluorobenzoic acid","","- C18 H8 F5 N O3 -","- C18 H8 F5 N O3 -","- C72 H32 F20 N4 O12 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.052","0.0455","","","0.13","0.1396","","","","","","1.089","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246249","13.275","0.002","5.3902","0.0005","16.953","0.002","90","","102.829","0.011","90","","1182.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridin-2(1<i>H</i>)-one – perfluorobenzoic acid","","- C12 H6 F5 N O3 -","- C12 H6 F5 N O3 -","- C48 H24 F20 N4 O12 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.039","0.0355","","","0.0989","0.1025","","","","","","1.047","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246250","8.615","0.0008","15.9915","0.0014","9.1239","0.0008","90","","103.072","0.008","90","","1224.4","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phenanthridin-6(5<i>H</i>)-one – perfluorophenol","","- C32 H18.67 F5 N2 O3 -","- C32 H18.666 F5 N2 O3 -","- C64 H37.332 F10 N4 O6 -","2","0.5","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0648","0.0577","","","0.1625","0.1679","","","","","","1.056","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246251","9.0463","0.0009","11.6765","0.0012","13.7306","0.0014","98.454","0.008","97.155","0.008","100.557","0.008","1393.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","benzo[<i>cd</i>]indol-2(1<i>H</i>)-one – perfluorophenol","","- C17 H8 F5 N O2 -","- C17 H8 F5 N O2 -","- C68 H32 F20 N4 O8 -","4","2","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0758","0.0659","","","0.177","0.1837","","","","","","1.086","","","","has coordinates,has disorder","281456","2023-03-04","18:20:50",""
"7246252","13.392","0.0012","10.6012","0.0012","14.1313","0.0013","90","","101.079","0.009","90","","1968.8","0.3","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 Br4 F10 -","- C18 Br4 F10 -","- C72 Br16 F40 -","4","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.047","0.0308","","","0.0675","0.0751","","","","","","1.046","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246253","5.4453","0.0006","7.8772","0.0006","11.0644","0.0009","71.14","0.007","86.893","0.008","79.296","0.008","441.29","0.07","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C18 Br2 F12 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0377","0.0326","","","0.0818","0.0865","","","","","","1.093","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246254","7.7805","0.0005","12.9312","0.0008","19.6717","0.0014","90","","94.599","0.007","90","","1972.8","0.2","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 Br4 F10 -","- C18 Br4 F10 -","- C72 Br16 F40 -","4","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0466","0.033","","","0.0756","0.0822","","","","","","1.021","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246255","21.3852","0.0016","20.391","0.002","7.5673","0.0006","90","","94.255","0.007","90","","3290.7","0.5","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I0.9998 N3 -","- C108 H72 Br16 F40 I3.9992 N12 -","4","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0573","0.0459","","","0.1231","0.1355","","","","","","1.026","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246256","7.8665","0.0002","20.2579","0.0003","22.278","0.0004","90","","90","","90","","3550.19","0.12","170","2","169.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C144 Br16 F96 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0523","0.0471","","","0.1051","0.1074","","","","","","1.188","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246257","20.3907","0.0004","7.6801","0.0001","42.938","0.001","90","","90","","90","","6724.2","0.2","170","2","169.99","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I N3 -","- C216 H144 Br32 F80 I8 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0501","0.0442","","","0.1022","0.1051","","","","","","1.145","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246258","16.7507","0.0002","20.1161","0.0003","23.6396","0.0003","90","","94.595","0.001","90","","7939.97","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 N5 O7 Zn1.5 -","- C45 H34 N5 O7 Zn1.5 -","- C360 H272 N40 O56 Zn12 -","8","1","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0647","0.0445","","","0.1063","0.1165","","","","","","1.063","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246259","26.6374","0.0006","9.7433","0.0002","29.7932","0.0007","90","","90.922","0.002","90","","7731.4","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H48 Cd3 N10 O12 -","- C90 H64 Cd3 N10 O12 -","- C360 H256 Cd12 N40 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0545","0.0363","","","0.0771","0.0887","","","","","","1.054","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246260","27.0745","0.0005","9.7503","0.0002","29.6517","0.0005","90","","91.899","0.002","90","","7823.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H68 Cd3 N6 O12 -","- C94 H68 Cd3 N6 O12 -","- C376 H272 Cd12 N24 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0514","0.0354","","","0.0658","0.0739","","","","","","1.049","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246261","38.9381","0.0007","9.4374","0.0001","29.5532","0.0005","90","","132.196","0.003","90","","8045.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H82 Cd3 N8 O15 -","- C88 H80 Cd3 N8 O14 -","- C352 H320 Cd12 N32 O56 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","1.54184","CuKα","","0.0279","0.0262","","","0.0705","0.0718","","","","","","1.059","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246262","10.7028","0.0007","11.989","0.0008","13.1876","0.0009","89.083","0.002","72.765","0.002","75.181","0.002","1559.16","0.18","173.11","","173.11","","","","","","","","","5","P -1","-P 1","2","","MSU10","","- C27 H32 La N6 O10 -","- C27 H32 La N6 O10 -","- C54 H64 La2 N12 O20 -","2","1","","Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift","Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis","CrystEngComm","2023","25","10","1486","1494","10.1039/D3CE00039G","","","0.71073","MoKα","","0.0387","0.031","","","0.0669","0.0695","","","","","","1.053","","","","has coordinates","282317","2023-04-04","10:09:03",""
"7246263","10.059","0.0002","11.1837","0.0004","13.6668","0.0003","68.67","0.002","86.13","0.002","74.59","0.002","1379.94","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 La N5 O10 -","- C24 H27 La N5 O10 -","- C48 H54 La2 N10 O20 -","2","1","","Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift","Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis","CrystEngComm","2023","25","10","1486","1494","10.1039/D3CE00039G","","x-ray","1.54184","CuKα","","0.0289","0.0264","","","0.0651","0.066","","","","","","1.078","","","","has coordinates","282317","2023-04-04","10:09:03",""
"7246264","25.081","0.003","14.4962","0.0014","14.7769","0.0014","90","","101.766","0.002","90","","5259.7","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H61 Cl3 N20 O24 -","- C30 H30 Cl3 N20 O17 -","- C120 H120 Cl12 N80 O68 -","4","0.5","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.0799","0.0648","","","0.1898","0.2096","","","","","","1.023","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246265","12.7096","0.0003","15.9515","0.0004","27.0718","0.0007","90","","96.41","0.001","90","","5454.1","0.2","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 N20 O29 S2 -","- C40 H38 N20 O28 S2 -","- C160 H152 N80 O112 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","1.34139","GaKα","","0.0739","0.0522","","","0.1116","0.1183","","","","","","1.068","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246266","12.469","0.005","15.956","0.005","27.061","0.005","90","","95.919","0.005","90","","5355","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N20 Na2 O25 S2 -","- C40 H36 N20 Na2 O18 S2 -","- C160 H144 N80 Na8 O72 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71069","MoKα","","0.1118","0.0593","","","0.1111","0.1292","","","","","","1.097","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246267","12.449","0.005","16.143","0.005","26.916","0.005","90","0.005","95.226","0.005","90","0.005","5387","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N20 O24 Rb2 S2 -","- C40 H36 N20 O20 Rb2 S2 -","- C160 H144 N80 O80 Rb8 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.1007","0.0802","","","0.1904","0.2034","","","","","","1.025","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246268","12.681","0.005","16.214","0.005","27.109","0.005","90","0.005","96.033","0.005","90","0.005","5543","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cs K N20 O24 S2 -","- C40 H36 Cs K N20 O20 S2 -","- C160 H144 Cs4 K4 N80 O80 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.1231","0.0978","","","0.2363","0.2549","","","","","","1.069","","","","has coordinates,has disorder","282319","2023-04-04","10:09:45",""
"7246269","12.274","0.005","16.173","0.005","27.018","0.005","90","","94.661","0.005","90","","5346","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 K2 N20 O23 S2 -","- C40 H36 K2 N20 O19 S2 -","- C160 H144 K8 N80 O76 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.0842","0.0633","","","0.1855","0.2082","","","","","","1","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246270","17.287","0.0006","15.6308","0.0005","17.7593","0.0006","90","","90","","90","","4798.7","0.3","300.8","0.1","300.8","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0985","0.0557","","","0.1537","0.1751","","","","","","1.069","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246271","17.1067","0.0007","15.3661","0.0007","17.6923","0.0008","90","","90","","90","","4650.7","0.4","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0683","0.0477","","","0.099","0.1089","","","","","","1.028","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246272","15.673","0.0017","10.8757","0.0009","14.278","0.0015","90","","90","","90","","2433.8","0.4","365.01","0.11","365.01","0.11","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11.002 -","- C76 H152 Cl4 N4 O44.008 -","4","0.5","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.3081","0.2497","","","0.623","0.659","","","","","","2.479","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246273","17.3155","0.0008","15.6324","0.0009","17.8689","0.0009","90","","90","","90","","4836.8","0.4","300","0.1","300","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0945","0.0579","","","0.149","0.1759","","","","","","1.025","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246274","17.1801","0.0004","15.4816","0.0005","17.8001","0.0005","90","","90","","90","","4734.4","0.2","200.04","0.1","200.04","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0487","0.0383","","","0.0933","0.0986","","","","","","1.049","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246275","17.346","0.0016","15.8138","0.0015","17.761","0.002","90","","90","","90","","4872","0.8","350","","350.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","","0.71073","MoKα","","0.3809","0.1034","","","0.2335","0.3176","","","","","","0.842","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246276","5.2615","0.0002","25.2098","0.0009","16.6111","0.0006","90","","91.994","0.003","90","","2201.98","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N6 O11.5 S2 -","- C41.5 H54 N6 O11.5 S2 -","- C83 H108 N12 O23 S4 -","2","1","","Wang, Chang; Turner, Thomas D.; Ma, Cai Y.; Pask, Christopher M.; Rosbottom, Ian; Hong, Richard S.; Sheikh, Ahmad Y.; Yin, Qiuxiang; Roberts, Kevin J.","A quaternary solid-form of ritonavir: an oxalate salt oxalic acid co-crystal acetone solvate","CrystEngComm","2023","25","12","1782","1791","10.1039/D2CE01612E","","x-ray","1.54184","CuKα","","0.0612","0.0513","","","0.1248","0.1313","","","","","","1.024","","","","has coordinates,has disorder","282335","2023-04-04","10:16:21",""
"7246277","17.323","0.002","12.978","0.0015","18.983","0.002","90","","105.428","0.006","90","","4113.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N4 O9 -","- C47 H46 N4 O9 -","- C188 H184 N16 O36 -","4","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0496","0.0395","","","0.0977","0.1034","","","","","","1.035","","","","has coordinates","281414","2023-03-04","18:10:10",""
"7246278","15.5518","0.0011","18.9095","0.0014","16.7038","0.0012","90","","108.49","0.002","90","","4658.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Cl4 N4 O8 -","- C54 H48 Cl4 N4 O8 -","- C216 H192 Cl16 N16 O32 -","4","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0355","0.0344","","","0.0936","0.0945","","","","","","1.031","","","","has coordinates","281414","2023-03-04","18:10:10",""
"7246279","14.9566","0.0014","14.9948","0.0014","16.2793","0.0015","64.136","0.003","79.706","0.003","76.944","0.003","3186.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H84 N4 O13 -","- C77 H84 N4 O13 -","- C154 H168 N8 O26 -","2","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0504","0.0472","","","0.1182","0.1209","","","","","","1.022","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246280","25.162","0.004","13.623","0.002","14.286","0.002","90","","90","","90","","4897","1.3","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C51.3 H50.4 Cl2 N4 O12.2 -","- C51.3 H50.4 Cl2 N4 O12.2 -","- C205.2 H201.6 Cl8 N16 O48.8 -","4","0.25","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.1376","0.1359","","","0.4382","0.4501","","","","","","2.492","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246281","28.327","0.003","14.6276","0.0017","30.858","0.004","90","","93.076","0.007","90","","12768","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H88 N4 O14 -","- C74 H88 N4 O14 -","- C592 H704 N32 O112 -","8","2","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0813","0.0728","","","0.165","0.1688","","","","","","1.201","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246282","4.9739","0.0003","8.6018","0.0005","6.952","0.0005","90","","110.177","0.003","90","","279.18","0.03","289","2","289","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O6 Se2 Zr -","- O6 Se2 Zr -","- O12 Se4 Zr2 -","2","0.5","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0395","0.0354","","","0.0869","0.0883","","","","","","1.059","","","","has coordinates","282331","2023-04-04","10:14:46",""
"7246283","11.285","0.003","11.285","","11.285","","90","","90","","90","","1437.2","0.4","273","2","273","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Hf O8 Te3 -","- Hf O8 Te3 -","- Hf8 O64 Te24 -","8","0.166667","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0198","0.0182","","","0.0475","0.0481","","","","","","1.206","","","","has coordinates","282331","2023-04-04","10:14:47",""
"7246284","4.9425","0.0002","8.5794","0.0003","6.9325","0.0002","90","","110.1","0.001","90","","276.059","0.017","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Hf O6 Se2 -","- Hf O6 Se2 -","- Hf2 O12 Se4 -","2","0.5","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0273","0.0263","","","0.069","0.07","","","","","","1.115","","","","has coordinates","282331","2023-04-04","10:14:47",""
"7246285","9.7448","0.0003","11.2596","0.0003","14.0846","0.0004","68.021","0.003","84.398","0.002","66.219","0.003","1308.81","0.08","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Cd N4 O8 -","- C22 H31 Cd N4 O8 -","- C44 H62 Cd2 N8 O16 -","2","1","","Huang, Mengyi; Liang, Zhenxin; Huang, Jinling; Zhang, Shuyu; Wen, Yuehong; Wu, Xintao","Dimensional expansion of 1D zigzag chains to a 2D two-fold interpenetrated metal–organic framework for adsorption of lanthanide cations and white light emission","CrystEngComm","2023","25","11","1637","1642","10.1039/D3CE00001J","","x-ray","1.3405","GaKα","","0.0474","0.0432","","","0.1149","0.1178","","","","","","1.053","","","","has coordinates","282329","2023-04-04","10:13:40",""
"7246304","6.7843","0.0003","8.3585","0.0003","15.1607","0.0007","97.295","0.003","93.314","0.004","111.978","0.004","785.58","0.06","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Br N O -","- C17 H22 Br N O -","- C34 H44 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.046","0.0367","","","0.0832","0.089","","","","","","1.076","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246305","8.7375","0.0003","9.2799","0.0004","10.6024","0.0007","106.226","0.005","98.182","0.004","100.729","0.004","793.61","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 I2 N O -","- C15 H17 I2 N O -","- C30 H34 I4 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","x-ray","0.71071","MoKα","","0.0355","0.0242","","","0.0429","0.0489","","","","","","1.087","","","","has coordinates,has disorder","282332","2023-04-04","10:15:00",""
"7246306","7.8428","0.0003","8.7456","0.0004","11.7685","0.0006","81.274","0.004","82.709","0.004","72.451","0.004","757.9","0.06","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl I N O -","- C15 H17 Cl I N O -","- C30 H34 Cl2 I2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71071","MoKα","","0.028","0.0235","","","0.0434","0.0456","","","","","","1.041","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246307","4.63873","0.00014","56.6665","0.0012","8.4248","0.0002","90","","95.637","0.002","90","","2203.84","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Br3 N O -","- C21 H30 Br3 N O -","- C84 H120 Br12 N4 O4 -","4","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0742","0.0586","","","0.096","0.1021","","","","","","1.191","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246308","6.7554","0.0003","8.4116","0.0003","16.8284","0.0007","97.564","0.003","96.503","0.004","110.294","0.004","876.01","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Br N O -","- C19 H26 Br N O -","- C38 H52 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0453","0.0353","","","0.0728","0.0773","","","","","","1.051","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246309","10.0323","0.0004","11.3017","0.0004","15.5236","0.0005","106.418","0.003","94.206","0.003","113.861","0.004","1508.28","0.12","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Br I N O -","- C15 H17 Br I N O -","- C60 H68 Br4 I4 N4 O4 -","4","2","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","x-ray","0.71073","MoKα","","0.0395","0.0285","","","0.048","0.0517","","","","","","1.045","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246310","6.6716","0.0003","8.3651","0.0004","13.0803","0.0006","86.724","0.004","86.237","0.004","70.833","0.004","687.55","0.06","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C30 H36 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0458","0.0373","","","0.0735","0.0779","","","","","","1.063","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246311","28.1904","0.0012","9.1296","0.0002","17.0705","0.0006","90","","98.313","0.004","90","","4347.2","0.3","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H67 Br3 N2 O2 -","- C46 H67 Br3 N2 O2 -","- C184 H268 Br12 N8 O8 -","4","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0715","0.0393","","","0.0798","0.0919","","","","","","1.053","","","","has coordinates,has disorder","282332","2023-04-04","10:15:00",""
"7246312","6.7504","0.0003","8.3652","0.0004","20.1363","0.001","81.71","0.004","86.632","0.004","70.675","0.004","1061.71","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H34 Br N O -","- C23 H34 Br N O -","- C46 H68 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0439","0.0351","","","0.0744","0.0787","","","","","","1.06","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246315","4.7442","0.0002","31.8938","0.001","15.627","0.0006","90","","95.026","0.003","90","","2355.44","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 N6 O14 S6 Zn3 -","- C48 H28 N6 O14 S6 Zn3 -","- C96 H56 N12 O28 S12 Zn6 -","2","0.5","","Chen, Xueyi; Tan, Geng; Chen, Wanyu; Chang, Jiaming; Yue, Yuanmeng; Li, Yameng; Weng, Ng Seik; Zhang, Lilei; Feng, Xun","A zinc-based metal–organic framework with a triazine moiety: effective detection of antibiotics and photodegradation dyes in aqueous solution","CrystEngComm","2023","25","13","1965","1975","10.1039/D2CE01684B","","","0.71073","MoKα","","0.0765","0.0647","","","0.1564","0.1643","","","","","","1.031","","","","has coordinates,has disorder","282325","2023-04-04","10:12:50",""
"7246323","13.296","0.002","18.408","0.004","3.7815","0.0011","90","","90","","90","","925.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.141","0.0724","","","0.1198","0.1597","","","","","","1.057","","","","has coordinates","282322","2023-04-04","10:11:06",""
"7246324","6.983","0.004","8.788","0.005","10.103","0.006","98.26","0.02","94.33","0.02","93.17","0.02","610.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C24 H22 N6 O12 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.124","0.0564","","","0.1194","0.1428","","","","","","1.035","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246325","7.4117","0.0008","14.0189","0.0013","10.6336","0.001","90","","98.59","0.009","90","","1092.48","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N5 O8 -","- C24 H19 N5 O8 -","- C48 H38 N10 O16 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.053","0.0429","","","0.1045","0.1142","","","","","","1.086","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246326","7.307","0.0006","9.3649","0.0007","14.6557","0.001","81.676","0.003","80.506","0.003","69.46","0.003","922.15","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","2","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.0611","0.0447","","","0.129","0.1418","","","","","","1.063","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7246327","7.5784","0.0005","11.6201","0.0008","13.5062","0.0009","77.55","0.002","84.286","0.002","76.406","0.002","1127.38","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.43 H2.29 Cu0.07 N0.71 O -","- C3.42857 H2.28571 Cu0.0714286 N0.714286 O -","- C48 H32 Cu N10 O14 -","14","7","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.0692","0.0613","","","0.1731","0.183","","","","","","1.05","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246328","13.2629","0.0007","14.3481","0.0008","16.6357","0.001","96.631","0.005","104.242","0.005","116.913","0.005","2640.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Cd N12 O16 -","- C60 H40 Cd N12 O16 -","- C120 H80 Cd2 N24 O32 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.1098","0.0661","","","0.1457","0.1784","","","","","","1.023","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246329","21.5133","0.0014","4.9621","0.0004","24.1452","0.0016","90","","95.496","0.006","90","","2565.7","0.3","293.15","","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","ARB","arbutin","","- C12 H16 O7 -","- C12 H16 O7 -","- C96 H128 O56 -","8","4","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1431","0.059","","","0.113","0.1558","","","","","","0.984","","","","has coordinates","283210","2023-05-05","01:24:53",""
"7246330","6.3532","0.0004","21.0244","0.0012","22.6649","0.0018","90","","90","","90","","3027.4","0.4","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin DMA solvent compound; solvate S4","Arbutin DMA solvate","","- C28 H41 N O15 -","- C28 H41 N O15 -","- C112 H164 N4 O60 -","4","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1042","0.0646","","","0.1134","0.1346","","","","","","1.032","","","","has coordinates","283210","2023-05-05","01:25:04",""
"7246331","8.5631","0.0003","8.5283","0.0003","15.1997","0.0005","90","","104.747","0.003","90","","1073.45","0.07","113.15","","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Arbutin DMF solvent compound; solvate S1","Arbutin DMF solvate","","- C18 H30 N2 O9 -","- C18 H30 N2 O9 -","- C36 H60 N4 O18 -","2","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0431","0.0384","","","0.0913","0.0959","","","","","","1.038","","","","has coordinates","283210","2023-05-05","01:25:09",""
"7246332","6.3606","0.0003","20.5593","0.0009","23.4018","0.0009","90","","90","","90","","3060.2","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin NMP solvent compound;solvate S5","Arbutin NMP solvate","","- C29 H41 N O15 -","- C29 H41 N O15 -","- C116 H164 N4 O60 -","4","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0991","0.0615","","","0.1049","0.1239","","","","","","1.04","","","","has coordinates,has disorder","283210","2023-05-05","01:25:21",""
"7246333","15.7345","0.0004","16.732","0.0004","17.2068","0.0006","83.659","0.002","66.309","0.003","89.939","0.002","4118.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H210 N2 O36 Ti10 -","- C126 H210 N2 O36 Ti10 -","- C126 H210 N2 O36 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.0875","0.0474","","","0.1199","0.146","","","","","","1.023","","","","has coordinates,has disorder","282330","2023-04-04","10:14:09",""
"7246334","15.2841","0.0007","15.8379","0.0005","16.1254","0.0006","119.36","0.004","99.503","0.004","106.205","0.004","3046.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 N2 O36 Ti10 -","- C84 H126 N2 O36 Ti10 -","- C84 H126 N2 O36 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","x-ray","0.71073","MoKα","","0.0879","0.0566","","","0.166","0.1826","","","","","","1.055","","","","has coordinates,has disorder","282330","2023-04-04","10:14:14",""
"7246335","15.0565","0.0008","15.5845","0.0007","16.1779","0.0007","64.8","0.004","66.955","0.005","75.967","0.004","3147.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 N2 O42 Ti10 -","- C84 H126 N2 O42 Ti10 -","- C84 H126 N2 O42 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.0692","0.0422","","","0.1072","0.1242","","","","","","1.021","","","","has coordinates,has disorder","282330","2023-04-04","10:14:25",""
"7246336","13.1367","0.001","16.9074","0.0011","17.9372","0.0012","107.392","0.006","107.891","0.006","95.423","0.006","3541","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H112 N14 O60 Ti10 -","- C84 H112 N14 O60 Ti10 -","- C84 H112 N14 O60 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.1707","0.0881","","","0.2158","0.268","","","","","","0.937","","","","has coordinates,has disorder","282330","2023-04-04","10:14:31",""
"7246337","14.133","0.003","24.331","0.004","14.139","0.002","90","","119.109","0.004","90","","4247.9","1.3","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","1","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","0.71073","MoKα","","0.1274","0.0881","","","0.2322","0.2681","","","","","","1.07","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246338","24.2819","0.0011","24.2419","0.0011","28.6093","0.0013","90","","90","","90","","16840.6","1.3","170","2","170","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C46 H24 N8 O17 Zn4 -","- C46 H24 N8 O17 Zn4 -","- C368 H192 N64 O136 Zn32 -","8","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","1.54184","CuKα","","0.1717","0.1169","","","0.3209","0.3513","","","","","","0.976","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246339","7.7223","0.0001","8.3116","0.0002","15.3112","0.0003","90","","101.017","0.002","90","","964.63","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C36 H40 Br4 N4 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","1.54184","CuKα","","0.0292","0.0275","","","0.0904","0.0922","","","","","","1.114","","","","has coordinates","282324","2023-04-04","10:12:02",""
"7246340","15.2078","0.0007","8.0042","0.0004","16.6991","0.0008","90","","91.133","0.004","90","","2032.32","0.17","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl4 Co N2 O2 -","- C18 H16 Cl4 Co N2 O2 -","- C72 H64 Cl16 Co4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0309","0.0241","","","0.0557","0.058","","","","","","1.04","","","","has coordinates","282324","2023-04-04","10:12:13",""
"7246341","7.7734","0.0004","8.0302","0.0004","15.1465","0.0008","90","","99.036","0.005","90","","933.74","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.06","0.0557","","","0.1378","0.1403","","","","","","1.073","","","","has coordinates","282324","2023-04-04","10:12:24",""
"7246342","15.7785","0.0006","8.5996","0.0003","16.6373","0.0007","90","","92.28","0.004","90","","2255.71","0.15","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br4 Cd N2 O2 -","- C18 H16 Br4 Cd N2 O2 -","- C72 H64 Br16 Cd4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0225","0.0173","","","0.0381","0.0394","","","","","","1.029","","","","has coordinates","282324","2023-04-04","10:12:27",""
"7246343","13.7376","0.0004","4.3663","0.0002","22.527","0.0008","90","","95.846","0.003","90","","1344.2","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl3 Hg N O3 -","- C9 H12 Cl3 Hg N O3 -","- C36 H48 Cl12 Hg4 N4 O12 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0159","0.0144","","","0.0338","0.0342","","","","","","1.046","","","","has coordinates","282324","2023-04-04","10:12:31",""
"7246344","8.3593","0.0001","13.0386","0.0002","18.9457","0.0003","76.385","0.001","83.619","0.001","84.652","0.001","1989.69","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Bi Cl7 N4 O6 -","- C36 H36 Bi Cl7 N4 O6 -","- C72 H72 Bi2 Cl14 N8 O12 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.014","0.0132","","","0.0327","0.0329","","","","","","1.065","","","","has coordinates","282324","2023-04-04","10:12:33",""
"7246345","7.4707","0.0002","10.1801","0.0002","14.1377","0.0004","86.275","0.002","86.472","0.002","84.89","0.002","1066.99","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl5 Fe N2 O2 -","- C18 H16 Cl5 Fe N2 O2 -","- C36 H32 Cl10 Fe2 N4 O4 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0253","0.0247","","","0.0627","0.063","","","","","","1.069","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246346","7.6819","0.0001","10.4227","0.0002","14.418","0.0003","86.456","0.002","85.113","0.002","85.066","0.002","1144.21","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Br5 Fe N2 O2 -","- C18 H16 Br5 Fe N2 O2 -","- C36 H32 Br10 Fe2 N4 O4 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0175","0.0159","","","0.0381","0.0387","","","","","","1.041","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246347","17.0128","0.0006","7.1435","0.0002","17.1911","0.0007","90","","90.158","0.003","90","","2089.24","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br4 Co N2 O2 -","- C18 H16 Br4 Co N2 O2 -","- C72 H64 Br16 Co4 N8 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.1064","0.0805","","","0.2159","0.2344","","","","","","1.097","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246348","17.0829","0.0008","7.2297","0.0003","17.2934","0.0008","90","","90.388","0.004","90","","2135.76","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br4 Hg N2 O2 -","- C18 H16 Br4 Hg N2 O2 -","- C72 H64 Br16 Hg4 N8 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0458","0.0361","","","0.0861","0.0901","","","","","","1.04","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246349","7.2163","0.0003","9.5228","0.0004","9.5411","0.0004","83.177","0.003","71.049","0.004","79.945","0.003","609.24","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl6 N2 O4 Sn -","- C18 H20 Cl6 N2 O4 Sn -","- C18 H20 Cl6 N2 O4 Sn -","1","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0433","0.0393","","","0.1162","0.1179","","","","","","1.108","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246350","4.0631","0.0001","21.2351","0.0007","14.5111","0.0005","90","","97.763","0.004","90","","1240.55","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br3 N O Pb -","- C9 H8 Br3 N O Pb -","- C36 H32 Br12 N4 O4 Pb4 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0135","0.0118","","","0.0273","0.0277","","","","","","1.038","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246351","15.2852","0.0002","8.2556","0.0001","16.5412","0.0002","90","","91.317","0.001","90","","2086.76","0.04","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl4 Hg N2 O2 -","- C18 H16 Cl4 Hg N2 O2 -","- C72 H64 Cl16 Hg4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0082","0.0082","","","0.0215","0.0215","","","","","","1.12","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246352","15.2834","0.0006","8.2421","0.0004","16.5244","0.0007","90","","91.322","0.004","90","","2080.98","0.16","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cd Cl4 N2 O2 -","- C18 H16 Cd Cl4 N2 O2 -","- C72 H64 Cd4 Cl16 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0231","0.0184","","","0.0397","0.041","","","","","","1.031","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246356","7.9627","0.0009","9.0418","0.0009","9.2723","0.0009","68.798","0.009","76.506","0.009","83.945","0.009","605.05","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N2 O -","- C13 H15 N2 O -","- C26 H30 N4 O2 -","2","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0428","0.0406","","","0.1132","0.1158","","","","","","1.026","","","","has coordinates","284268","2023-06-05","04:26:03",""
"7246357","8.0063","0.0009","24.063","0.003","20.759","0.002","90","","96.238","0.002","90","","3975.7","0.8","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cd N6 O6 -","- C44 H44 Cd N6 O6 -","- C176 H176 Cd4 N24 O24 -","4","0.5","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","","0.71073","MoKα","","0.0305","0.0247","","","0.0621","0.066","","","","","","1.036","","","","has coordinates","284268","2023-06-05","04:26:13",""
"7246358","21.516","0.003","6.3257","0.0008","20.465","0.003","90","","117.404","0.002","90","","2472.8","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H26 Cd N4 O6.5 -","- C23 H26 Cd N4 O6.5 -","- C92 H104 Cd4 N16 O26 -","4","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","","0.71073","MoKα","","0.0385","0.0272","","","0.0677","0.0748","","","","","","1.036","","","","has coordinates,has disorder","284268","2023-06-05","04:26:16",""
"7246359","14.371","0.0002","19.0998","0.0002","23.8664","0.0002","90","","90","","90","","6550.93","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H34 N6 O5 Zn -","- C35 H34 N6 O5 Zn -","- C280 H272 N48 O40 Zn8 -","8","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0558","0.0497","","","0.1412","0.1464","","","","","","1.038","","","","has coordinates,has disorder","284268","2023-06-05","04:26:29",""
"7246360","28.8765","0.0004","23.5183","0.0004","16.9031","0.0002","90","","90","","90","","11479.3","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 Cd N2 O7 -","- C26 H19 Cd N2 O5 -","- C416 H304 Cd16 N32 O80 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0779","0.0758","","","0.2125","0.2161","","","","","","1.079","","","","has coordinates","284268","2023-06-05","04:26:32",""
"7246361","29.0368","0.0003","22.6033","0.0002","16.92391","0.00015","90","","90","","90","","11107.6","0.18","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 N3 O7 Zn -","- C26 H19 N2 O5 Zn -","- C416 H304 N32 O80 Zn16 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0391","0.0351","","","0.1066","0.11","","","","","","1.085","","","","has coordinates","284268","2023-06-05","04:26:42",""
"7246362","7.2581","0.0015","19.176","0.004","7.9267","0.0016","90","","102.24","0.03","90","","1078.2","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cr2 N8 O10 -","- C18 H14 Cr2 N8 O10 -","- C36 H28 Cr4 N16 O20 -","2","0.5","","Zhou, Shu-Fang; Zhang, Hong-Jie; Zhang, Chen-Xi; Wang, Qing-Lun","A Cr(iii) supramolecular network composite membrane with high water stability and proton conductivity","CrystEngComm","2023","25","13","2003","2010","10.1039/D2CE01610A","","","0.71073","MoKα","","0.091","0.0847","","","0.1656","0.1686","","","","","","1.23","","","","has coordinates","282326","2023-04-04","10:12:58",""
"7246363","14.124","0.0002","9.70051","0.00018","9.5835","0.00016","90","","95.9776","0.0016","90","","1305.9","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cd N4 O3 -","- C9 H11 Cd N4 O3 -","- C36 H44 Cd4 N16 O12 -","4","1","","Vakil, Farhat; Ahmad, M. Shahwaz; Kumar, Manjeet; Ansari, Azaj; Shahid, M.; Ahmad, Musheer","Fabrication of a Cd(ii) metal–organic framework as a dual functional material: efficient iodine capture and selective adsorption of a cationic dye","CrystEngComm","2023","25","15","2280","2297","10.1039/D3CE00048F","","","0.71073","MoKα","","0.0312","0.025","","","0.0654","0.0704","","","","","","1.0476","","","","has coordinates","283218","2023-05-05","01:28:15",""
"7246364","21.0161","0.0011","15.2805","0.0006","11.3726","0.0005","90","","90","","90","","3652.2","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","none","dimethyl trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate pyridine clathrate","","- C22.5 H20.5 N0.5 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0442","0.0386","","","0.0985","0.1024","","","","","","1.037","","","","has coordinates","282334","2023-04-04","10:16:01",""
"7246365","21.2925","0.0013","15.5355","0.001","11.4506","0.0006","90","","90","","90","","3787.7","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C22 H20.333 N0.333 O4 -","- C21.9998 H20.3331 N0.3333 O4 -","- C175.998 H162.665 N2.6664 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.085","0.0601","","","0.1645","0.1974","","","","","","1.073","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246366","22.263","0.002","9.8738","0.0009","35.777","0.004","90","","93.222","0.006","90","","7852.1","1.3","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C102 H89 N3 O4 -","- C102 H89 N3 O4 -","- C408 H356 N12 O16 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0839","0.0507","","","0.1291","0.1514","","","","","","1.034","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246367","21.396","0.0012","15.5788","0.0009","11.3832","0.0006","90","","90","","90","","3794.3","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0841","0.0695","","","0.209","0.229","","","","","","1.044","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246368","15.7544","0.0007","25.0313","0.0011","40.1189","0.0016","90","","90","","90","","15821","1.2","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C48 H37 Cl4 N O2 -","- C48 H37 Cl4 N O2 -","- C768 H592 Cl64 N16 O32 -","16","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0971","0.0594","","","0.1615","0.1968","","","","","","1.016","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246369","11.2912","0.0006","21.2529","0.0013","15.8162","0.001","90","","90.136","0.003","90","","3795.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0636","0.0552","","","0.1512","0.1648","","","","","","1.043","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246370","18.95","0.004","8.983","0.002","22.253","0.005","90","","107.012","0.009","90","","3622.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C48 H41 N O2 -","- C48 H41 N O2 -","- C192 H164 N4 O8 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0651","0.0463","","","0.1159","0.1321","","","","","","1.035","","","","has coordinates","282334","2023-04-04","10:16:02",""
"7246371","15.5845","0.0013","24.9973","0.0019","40.03","0.004","90","","90","","90","","15595","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","none","1,1,1',1'-tetrakis(p-Chlorophenyl)-(9,10-ethanoanthracene-trans-11,12-diyl)dimethanol 2-methylpyridine clathrate'","","- C48 H37 Cl4 N O2 -","- C48 H37 Cl4 N O2 -","- C768 H592 Cl64 N16 O32 -","16","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.057","0.0515","","","0.1252","0.129","","","","","","1.117","","","","has coordinates","282334","2023-04-04","10:16:02",""
"7246372","7.3058","0.0011","10.1615","0.0014","12.4124","0.0018","105.388","0.006","106.574","0.006","100.321","0.006","818.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl2 N2 O3 S -","- C15 H16 Cl2 N2 O3 S -","- C30 H32 Cl4 N4 O6 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.1396","0.0633","","","0.1243","0.152","","","","","","0.965","","","","has coordinates","282323","2023-04-04","10:11:30",""
"7246373","8.7279","0.0003","9.6603","0.0003","11.4482","0.0004","86.524","0.003","77.743","0.003","71.031","0.003","891.98","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 O4 S -","- C16 H18 Cl2 N2 O4 S -","- C32 H36 Cl4 N4 O8 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","1.54184","CuKα","","0.0421","0.0415","","","0.1139","0.1147","","","","","","1.061","","","","has coordinates","282323","2023-04-04","10:11:33",""
"7246374","7.2276","0.0005","26.5464","0.0019","8.5613","0.0006","90","","112.99","0.003","90","","1512.16","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O2 S -","- C14 H14 Cl2 N2 O2 S -","- C56 H56 Cl8 N8 O8 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.084","0.0507","","","0.0867","0.0982","","","","","","1.016","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246375","8.1335","0.0002","9.2637","0.0002","10.0924","0.0003","72.817","0.002","72.328","0.003","76.935","0.002","684.39","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl2 N3 O2 S -","- C12 H9 Cl2 N3 O2 S -","- C24 H18 Cl4 N6 O4 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","1.54184","CuKα","","0.0363","0.0358","","","0.0985","0.0992","","","","","","1.031","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246376","12.2812","0.0006","7.35","0.0004","17.434","0.0009","90","","97.212","0.002","90","","1561.26","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O4 S -","- C14 H14 Cl2 N2 O4 S -","- C56 H56 Cl8 N8 O16 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.0446","0.0362","","","0.0697","0.0727","","","","","","1.037","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246377","7.542","0.0014","8.8365","0.0016","11.384","0.002","83.566","0.006","83.963","0.006","88.682","0.006","749.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl2 N3 O3 S -","- C13 H11 Cl2 N3 O3 S -","- C26 H22 Cl4 N6 O6 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.1077","0.0527","","","0.1013","0.1207","","","","","","0.993","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246378","17.6312","0.0007","19.4232","0.0004","31.839","0.0012","104.948","0.003","103.585","0.003","90.131","0.003","10216.7","0.6","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C141 H114 N13 O33 Zn6 -","- C141 H114 N13 O33 Zn6 -","- C282 H228 N26 O66 Zn12 -","2","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.1688","0.1422","","","0.4017","0.4218","","","","","","1.512","","","","has coordinates","282339","2023-04-04","10:18:35",""
"7246379","31.752","0.002","17.8208","0.0005","19.1271","0.0008","90","","105.392","0.006","90","","10434.8","0.9","293","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H41 N5 O16 Zn3 -","- C64 H41 N5 O16 Zn3 -","- C256 H164 N20 O64 Zn12 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.2076","0.1563","","","0.429","0.4615","","","","","","1.467","","","","has coordinates,has disorder","282339","2023-04-04","10:18:35",""
"7246380","32.28","0.06","17.76","0.03","19.21","0.03","90","","104.08","0.05","90","","10682","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H46.5 N5.5 O15.5 Zn3 -","- C65.5 H46.5 N5.5 O15.5 Zn3 -","- C262 H186 N22 O62 Zn12 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.1675","0.1013","","","0.2967","0.3684","","","","","","1.025","","","","has coordinates,has disorder","282339","2023-04-04","10:18:35",""
"7246381","17.3665","0.0008","11.9235","0.0006","14.1752","0.0007","90","","109.802","0.002","90","","2761.7","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/o-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0368","0.0326","","","0.0861","0.0891","","","","","","1.019","","","","has coordinates,has disorder","282337","2023-04-04","10:16:53",""
"7246382","17.3219","0.0009","12.0646","0.0006","14.1378","0.0007","90","","110.136","0.002","90","","2774","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/m-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0418","0.0349","","","0.0886","0.0931","","","","","","1.03","","","","has coordinates,has disorder","282337","2023-04-04","10:17:02",""
"7246383","17.3436","0.0012","12.0126","0.0008","14.0767","0.001","90","","110.152","0.003","90","","2753.2","0.3","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/p-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0393","0.0333","","","0.0838","0.0874","","","","","","1.034","","","","has coordinates,has disorder","282337","2023-04-04","10:17:06",""
"7246384","7.4921","0.0002","6.3776","0.0001","12.2609","0.0003","90","","106.057","0.002","90","","562.99","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C22 H20 F2 N6 O10 -","2","1","","Bu, Fan-Zhi; Yu, Yue-Ming; Zhang, Lin-Lin; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Salification-driven strategy toward the hydrophobic molecular salt of the antifungal drug 5-fluorocytosine and protocatechuic acid with triple-helix structure offers an innovative insight for conquering adverse drug reactions","CrystEngComm","2023","25","13","1951","1964","10.1039/D2CE01523D","","","1.54178","CuKα","","0.0232","0.0231","","","0.0621","0.0622","","","","","","1.111","","","","has coordinates","282320","2023-04-04","10:10:19",""
"7246397","7.754","0.006","9.591","0.009","11.88","0.011","85.36","0.03","80.05","0.02","70.72","0.02","821.1","1.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl2 N2 O6 S2 -","- C10 H10 Cl2 N2 O6 S2 -","- C20 H20 Cl4 N4 O12 S4 -","2","1","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Exploration and investigation of various solid forms of an anti-glaucoma drug – dichlorphenamide","CrystEngComm","2023","25","13","1874","1883","10.1039/D2CE01690G","","","0.71073","MoKα","","0.1007","0.072","","","0.1928","0.2135","","","","","","1.231","","","","has coordinates","282321","2023-04-04","10:10:39",""
"7246398","11.91","0.001","9.772","0.001","18.427","0.001","90","","100.1","0.01","90","","2111.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl2 N2 O4 S2 -","- C6 H6 Cl2 N2 O4 S2 -","- C48 H48 Cl16 N16 O32 S16 -","8","2","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Exploration and investigation of various solid forms of an anti-glaucoma drug – dichlorphenamide","CrystEngComm","2023","25","13","1874","1883","10.1039/D2CE01690G","","","0.71073","MoKα","","0.0387","0.0327","","","0.0779","0.0819","","","","","","1.057","","","","has coordinates","282321","2023-04-04","10:10:50",""
"7246399","15.172","0.004","11.583","0.005","29.439","0.005","90","","95.35","0.02","90","","5151","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 Cu2 N8 O10 S2 -","- C14 H18 Cl2 Cu2 N8 O10 S2 -","- C112 H144 Cl16 Cu16 N64 O80 S16 -","8","1","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.0532","0.0361","","","","0.0955","","","","","","0.939","","","","has coordinates","283219","2023-05-05","01:28:28",""
"7246400","14.812","0.014","9.144","0.004","17.494","0.009","90","","104.95","0.09","90","","2289","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl2 Cu2 N8 O8 S2 -","- C14 H14 Cl2 Cu2 N8 O8 S2 -","- C56 H56 Cl8 Cu8 N32 O32 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1265","0.0516","","","","0.1329","","","","","","0.802","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246401","14.429","0.006","18.17","0.013","13.688","0.005","90","","118.29","0.04","90","","3160","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl4 Cu2 N8 O19 S2 -","- C14 H22 Cl4 Cu2 N8 O19 S2 -","- C56 H88 Cl16 Cu8 N32 O76 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1104","0.0453","","","","0.1032","","","","","","0.832","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246402","16.963","0.003","10.1822","0.0013","18.387","0.003","90","","91.86","0.014","90","","3174.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl Cu2 N12 O6 S3 -","- C21 H25 Cl Cu2 N12 O6 S3 -","- C84 H100 Cl4 Cu8 N48 O24 S12 -","4","1","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.187","0.0516","","","","0.1234","","","","","","0.823","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246403","14.95","0.005","6.5697","0.0017","15.01","0.005","90","","106.96","0.02","90","","1410.1","0.8","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H8 Cl Cu N5 O4 S2 -","- C8 H8 Cl Cu N5 O4 S2 -","- C32 H32 Cl4 Cu4 N20 O16 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1265","0.0497","","","","0.1154","","","","","","0.836","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246404","12.1962","0.0001","14.5964","0.0001","15.1337","0.0002","90","","90","","90","","2694.11","0.05","276.85","0.13","276.85","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","","1.54178","CuKα","","0.0343","0.0326","","","0.0918","0.0932","","","","","","1.048","","","","has coordinates,has disorder","283214","2023-05-05","01:26:50",""
"7246405","12.1948","0.00012","14.5982","0.00014","15.13607","0.00015","90","","90","","90","","2694.56","0.05","275.58","0.1","275.58","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.032","0.0304","","","0.0849","0.0861","","","","","","1.056","","","","has coordinates","283214","2023-05-05","01:26:53",""
"7246406","9.3292","0.0005","12.1601","0.0004","12.7627","0.0005","71.759","0.003","81.597","0.004","81.225","0.004","1351.51","0.1","298.78","0.1","298.78","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0514","0.0445","","","0.1197","0.1246","","","","","","1.023","","","","has coordinates","283214","2023-05-05","01:26:55",""
"7246407","9.3353","0.0005","12.1678","0.0004","12.7548","0.0006","71.785","0.004","81.609","0.004","81.171","0.003","1352.49","0.11","298.86","0.1","298.86","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0532","0.0457","","","0.1269","0.1323","","","","","","1.041","","","","has coordinates","283214","2023-05-05","01:26:55",""
"7246408","12.1955","0.0001","14.5967","0.0001","15.1339","0.0001","90","","90","","90","","2694.05","0.03","276.17","0.13","276.17","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0356","0.0339","","","0.093","0.0941","","","","","","1.05","","","","has coordinates,has disorder","283214","2023-05-05","01:27:05",""
"7246409","12.18719","0.00019","14.6021","0.0002","15.1221","0.0002","90","","90","","90","","2691.11","0.07","299.5","0.18","299.5","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0402","0.0384","","","0.1023","0.1039","","","","","","1.085","","","","has coordinates","283214","2023-05-05","01:27:08",""
"7246410","9.3313","0.0003","12.1551","0.0003","12.7667","0.0003","71.773","0.002","81.625","0.002","81.167","0.002","1351.7","0.07","275.5","0.3","275.5","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0583","0.05","","","0.1448","0.1549","","","","","","1.0415","","","","has coordinates","283214","2023-05-05","01:27:10",""
"7246411","7.1754","0.0006","13.8861","0.0011","10.7991","0.0008","90","","104.604","0.003","90","","1041.24","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C40 H52 N12 O12 -","4","1","","Panja, Anangamohan; Das, Mainak; Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim","Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials","CrystEngComm","2023","25","14","2133","2143","10.1039/D3CE00137G","","","0.71073","MoKα","","0.0463","0.0375","","","0.1069","0.1151","","","","","","1.05","","","","has coordinates","282311","2023-04-04","10:07:15",""
"7246412","7.919","0.008","10.604","0.009","13.971","0.014","89.16","0.03","78","0.04","78.24","0.03","1123","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","2","","Panja, Anangamohan; Das, Mainak; Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim","Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials","CrystEngComm","2023","25","14","2133","2143","10.1039/D3CE00137G","","","0.71073","MoKα","","0.0506","0.039","","","0.1051","0.1142","","","","","","1.03","","","","has coordinates","282311","2023-04-04","10:07:15",""
"7246422","11.3761","0.0007","4.3405","0.0003","14.3469","0.0009","90","","90","","90","","708.42","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu Eu Gd Te3 -","- Cu Eu Gd Te3 -","- Cu4 Eu4 Gd4 Te12 -","4","0.5","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0325","0.0248","","","0.0583","0.0605","","","","","","1.082","","","","has coordinates","282336","2023-04-04","10:16:37",""
"7246423","4.2937","0.0003","14.2876","0.0009","11.1174","0.0007","90","","90","","90","","682.02","0.08","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu Eu Lu Te3 -","- Cu Eu Lu Te3 -","- Cu4 Eu4 Lu4 Te12 -","4","0.25","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0384","0.0297","","","0.0646","0.0671","","","","","","1.115","","","","has coordinates","282336","2023-04-04","10:16:40",""
"7246424","9.4797","0.001","15.7695","0.0016","6.796","0.0008","90","","94.474","0.004","90","","1012.84","0.19","273.15","","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","C4H11CdCl4N","","- C4 H11 Cd Cl4 N -","- C4 H11 Cd Cl4 N -","- C16 H44 Cd4 Cl16 N4 -","4","1","","Shen, Chuanying; Liu, Jie; Wu, Kui; Xu, Longyun; Sun, Defu; Dang, Yangyang; Wang, Jiyang; Wang, Duanliang","High stability and moderate second-order nonlinear optical properties of hybrid lead-free perovskite [(CH3)3NCH2Cl]CdCl3 bulk crystals","CrystEngComm","2023","25","15","2264","2270","10.1039/D3CE00145H","","","0.71073","MoKα","","0.0223","0.018","","","0.0387","0.0401","","","","","","1.07","","","","has coordinates","283211","2023-05-05","01:25:41",""
"7246430","6.6303","0.0004","7.8338","0.0005","7.9449","0.0005","117.137","0.002","93.126","0.002","111.674","0.002","328.63","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H14 N16 O2 -","- C4 H14 N16 O2 -","- C4 H14 N16 O2 -","1","0.5","","Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang","Improving the stability of hydrazinium pentazolate through cocrystallization","CrystEngComm","2023","25","14","2027","2031","10.1039/D2CE01707E","","","0.71073","MoKα","","0.0601","0.0498","","","0.1337","0.1419","","","","","","1.076","","","","has coordinates","282312","2023-04-04","10:07:32",""
"7246431","3.7348","0.001","11.013","0.003","5.7044","0.0014","90","","96.47","0.01","90","","233.14","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","0.5","","Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang","Improving the stability of hydrazinium pentazolate through cocrystallization","CrystEngComm","2023","25","14","2027","2031","10.1039/D2CE01707E","","","0.71073","MoKα","","0.0529","0.039","","","0.0912","0.1011","","","","","","1.042","","","","has coordinates","282312","2023-04-04","10:07:42",""
"7246432","18.8216","0.0002","9.2134","0.0002","12.654","0.0004","90","","99.552","0.007","90","","2163.92","0.1","200","2","200","2","","","","","","","","6","P 1 c 1","P -2yc","7","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulfonate","","- C23 H22 Cl N O4 S -","- C23 H22 Cl N O4 S -","- C92 H88 Cl4 N4 O16 S4 -","4","2","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0726","0.0583","","","0.1462","0.1582","","","","","","1.043","","","","has coordinates,has disorder","283200","2023-05-05","01:19:20",""
"7246433","6.3116","0.0012","7.6593","0.0013","33.65","0.006","90","","91.663","0.006","90","","1626","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium Iodide","","- C17 H18 I N O -","- C17 H18 I N O -","- C68 H72 I4 N4 O4 -","4","1","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0417","0.0408","","","0.1191","0.1203","","","","","","1.176","","","","has coordinates","283200","2023-05-05","01:19:24",""
"7246434","7.285","0.0002","7.285","0.0002","19.7163","0.0005","90","","90","","90","","1046.37","0.05","301","2","301.61","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl8 Ga8 Na16 S16 -","8","0.5","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0207","0.019","","","0.0491","0.052","","","","","","1.132","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246435","21.819","0.0004","8.334","0.0002","6.8616","0.0001","90","","100.673","0.001","90","","1226.13","0.04","299","2","299.61","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga Na2 Se3 -","- Ga Na2 Se3 -","- Ga8 Na16 Se24 -","8","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0215","0.0172","","","0.0358","0.0384","","","","","","1.079","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246436","8.3169","0.0003","6.416","0.0002","20.7332","0.0007","90","","91.1838","0.0013","90","","1106.11","0.06","298.93","","298.93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ga2 Na4 Se5 -","- Ga2 Na4 Se5 -","- Ga8 Na16 Se20 -","4","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0171","0.014","","","0.0297","0.031","","","","","","1.102","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246437","7.5821","0.0002","7.5821","0.0002","20.4761","0.0005","90","","90","","90","","1177.13","0.05","299","2","299.08","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl7.26 Ga8 I0.74 Na16 Se16 -","8","0.5","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.031","0.0166","","","0.0344","0.046","","","","","","1.171","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246438","7.2885","0.0002","39.4434","0.001","7.2884","0.0002","90","","90","","90","","2095.29","0.1","300","2","300","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl16 Ga16 Na32 S32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0178","0.0134","","","0.0295","0.032","","","","","","1.078","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246439","7.597","0.002","41.001","0.011","7.583","0.002","90","","90","","90","","2362","1.1","300","2","299.85","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl14.52 Ga16 I1.48 Na32 Se32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0439","0.0402","","","0.1121","0.1173","","","","","","1.145","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246446","6.6846","0.0002","7.0498","0.0002","15.0256","0.0004","97.105","0.002","94.771","0.002","109.331","0.003","657.18","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O4 Se -","- C13 H9 N3 O4 Se -","- C26 H18 N6 O8 Se2 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0371","0.0308","","","0.0663","0.0684","","","","","","1.097","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246447","6.7936","0.0002","7.348","0.0003","14.7847","0.0005","76.886","0.003","76.865","0.003","69.4","0.004","663.98","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O4 Se -","- C13 H9 N3 O4 Se -","- C26 H18 N6 O8 Se2 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0537","0.0414","","","0.0932","0.098","","","","","","1.092","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246448","3.9284","0.0002","26.3154","0.0012","13.1324","0.0006","90","","91.977","0.004","90","","1356.79","0.11","291","","291","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 N6 O6 Se3 -","- C27 H18 N6 O6 Se3 -","- C54 H36 N12 O12 Se6 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0936","0.066","","","0.102","0.1107","","","","","","1.059","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246449","11.5809","0.0004","11.2962","0.0005","15.112","0.0006","90","","104.191","0.001","90","","1916.63","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cd N6 O4 S2 -","- C18 H10 Cd N6 O4 S2 -","- C72 H40 Cd4 N24 O16 S8 -","4","1","","Yan, Xiao-Long; Cao, Xiao-Qin; Deng, Cheng-Rui; Zheng, Teng-Fei; Yao, Shu-Li; Liu, Sui-Jun","A highly stable and efficient benzothiadiazole-based fluorescence sensor for salicylaldehyde in aqueous solution","CrystEngComm","2023","25","16","2366","2371","10.1039/D3CE00130J","","","0.71073","MoKα","","0.0332","0.0259","","","0.059","0.0628","","","","","","1.09","","","","has coordinates","283205","2023-05-05","01:22:51",""
"7246450","10.825","0.005","18.151","0.008","9.211","0.004","90","","97.156","0.008","90","","1795.7","1.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N4 -","- C44 H44 N4 -","- C88 H88 N8 -","2","0.5","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.2119","0.0755","","","0.1391","0.1969","","","","","","1.008","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7246451","14.404","0.007","14.404","0.007","9.018","0.008","90","","90","","90","","1871","2","120","2","120","2","","","","","","","","3","P 4 n c","P 4 -2n","104","","","","- C46 H47 N5 -","- C46 H47 N5 -","- C92 H94 N10 -","2","0.25","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.1918","0.0786","","","0.1657","0.234","","","","","","1.072","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7246467","7.7196","0.0005","11.7045","0.0007","9.4241","0.0006","90","","108.98","0.002","90","","805.21","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Salt 7 (293 K)","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C34 H40 N4 O8 -","2","1","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0569","0.0405","","","0.1007","0.1107","","","","","","1.045","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246468","9.9691","0.0004","11.552","0.0004","13.8196","0.0005","90","","101.995","0.001","90","","1556.76","0.1","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","2","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0379","0.0335","","","0.0844","0.0874","","","","","","1.033","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246477","6.6375","0.0011","8.1893","0.0014","8.426","0.0013","69.401","0.015","88.117","0.013","73.592","0.015","410.14","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","1","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0497","0.039","","","0.0844","0.091","","","","","","1.058","","","","has coordinates","283208","2023-05-05","01:24:01",""
"7246478","8.4631","0.0004","13.1568","0.0006","14.6722","0.0005","90","","91.403","0.004","90","","1633.22","0.12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C40 H24 Br8 Cl8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0454","0.0324","","","0.0576","0.0639","","","","","","1.013","","","","has coordinates","283208","2023-05-05","01:24:03",""
"7246479","6.5889","0.0019","8.4455","0.001","14.91","0.007","90","","99.21","0.04","90","","819","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C20 H12 Cl8 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0489","0.0324","","","0.0557","0.0652","","","","","","1.035","","","","has coordinates","283208","2023-05-05","01:24:12",""
"7246480","6.5931","0.0003","8.549","0.0004","15.1333","0.0009","90","","98.729","0.005","90","","843.1","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C20 H12 Br4 Cl4 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.051","0.0356","","","0.0671","0.0745","","","","","","1.024","","","","has coordinates","283208","2023-05-05","01:24:17",""
"7246481","10.8035","0.0008","14.9629","0.0005","6.608","0.0005","90","","128.8","0.011","90","","832.48","0.16","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C20 H12 Br4 Cl4 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","x-ray","0.71073","MoKα","","0.0559","0.0384","","","0.0721","0.0821","","","","","","1.046","","","","has coordinates","283208","2023-05-05","01:24:19",""
"7246482","7.6844","0.0015","8.4799","0.0012","9.8498","0.0014","67.682","0.014","82.043","0.014","87.656","0.014","588","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 O8 Zn -","- C10 H13 O8 Zn -","- C20 H26 O16 Zn2 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.1095","0.0693","","","0.1633","0.1912","","","","","","1.04","","","","has coordinates","284263","2023-06-05","04:24:30",""
"7246483","8.1304","0.0007","8.2667","0.001","10.0751","0.0007","80.531","0.008","70.026","0.007","83.552","0.008","626.61","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Mn N0 O8 -","- C10 H13 Mn O8 -","- C20 H26 Mn2 O16 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.0892","0.0807","","","0.2211","0.2389","","","","","","1.089","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246484","7.8186","0.0019","8.4237","0.0014","9.8767","0.0017","68.312","0.016","81.997","0.018","87.309","0.016","598.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 Co O8 -","- C10 H13 Co O8 -","- C20 H26 Co2 O16 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.11","0.0696","","","0.169","0.1955","","","","","","0.962","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246485","7.6366","0.0015","8.604","0.0013","10.0667","0.0016","113.496","0.015","90.956","0.015","90.157","0.014","606.48","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11.5 H14 Co O7 -","- C11.52 H13.5 Co O7 -","- C23.04 H27 Co2 O14 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.1165","0.0661","","","0.1605","0.2003","","","","","","0.909","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246486","11.62224","0.00009","14.66776","0.00011","21.05256","0.00016","100.659","0.0006","91.6602","0.0006","109.986","0.0007","3297.98","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C42 H32 N4 O2 S -","- C42 H32 N4 O2 S -","- C168 H128 N16 O8 S4 -","4","2","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0533","0.0491","","","0.1362","0.14","","","","","","1.065","","","","has coordinates","283206","2023-05-05","01:23:15",""
"7246487","27.8666","0.0004","10.4156","0.0001","23.2099","0.0004","90","","108.11","0.002","90","","6402.89","0.17","223.15","","223.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C41 H30 N4 O2 S -","- C41 H30 N4 O2 S -","- C328 H240 N32 O16 S8 -","8","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.057","0.0533","","","0.1488","0.1521","","","","","","1.071","","","","has coordinates,has disorder","283206","2023-05-05","01:23:18",""
"7246488","13.6322","0.0002","22.3975","0.0003","10.7806","0.00019","90","","111.601","0.002","90","","3060.44","0.09","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C36 H25 Cl3 N4 O2 S -","- C36 H25 Cl3 N4 O2 S -","- C144 H100 Cl12 N16 O8 S4 -","4","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.047","0.0436","","","0.1219","0.1252","","","","","","1.066","","","","has coordinates","283206","2023-05-05","01:23:20",""
"7246489","13.2848","0.0002","21.9654","0.0003","10.92692","0.00017","90","","111.87","0.0018","90","","2959.06","0.08","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C35 H24 N4 O2 S -","- C35 H24 N4 O2 S -","- C140 H96 N16 O8 S4 -","4","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0458","0.0425","","","0.1081","0.1106","","","","","","1.057","","","","has coordinates","283206","2023-05-05","01:23:29",""
"7246490","27.6505","0.0002","10.34767","0.00008","23.2526","0.0002","90","","108.491","0.001","90","","6309.54","0.09","223","","223","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C40 H29 N5 O2 S -","- C40 H29 N5 O2 S -","- C320 H232 N40 O16 S8 -","8","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0449","0.0425","","","0.1126","0.1145","","","","","","1.052","","","","has coordinates","283206","2023-05-05","01:23:30",""
"7246491","12.20306","0.00009","21.16656","0.00017","22.98109","0.00018","69.0121","0.0007","87.5755","0.0006","87.6112","0.0006","5534.93","0.08","223","","223","","","","","","","","","5","P -1","-P 1","2","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C35 H24 N4 O2 S -","- C35 H24 N4 O2 S -","- C280 H192 N32 O16 S8 -","8","4","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.067","0.0608","","","0.1731","0.1783","","","","","","1.037","","","","has coordinates","283206","2023-05-05","01:23:30",""
"7246492","21.9765","0.0004","21.9765","0.0004","114.166","0.002","90","","90","","120","","47751.2","1.5","213","","213","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","DPPMA/MTBPS","","- C162 H165 N25 O18 S4 -","- C117 H95.9997 N16 O12 S4 -","- C1404 H1152 N192 O144 S48 -","12","0.333333","","Ami, Takahiro; Oka, Kouki; Tsuchiya, Keiho; Kosaka, Wataru; Miyasaka, Hitoshi; Tohnai, Norimitsu","The introduction of a base component to porous organic salts and their CO2 storage capability","CrystEngComm","2023","25","15","2321","2325","10.1039/D3CE00086A","","","1.54184","CuKα","","0.1275","0.1015","","","0.3298","0.3624","","","","","","1.251","","","","has coordinates,has disorder","283217","2023-05-05","01:27:53",""
"7246500","8.1014","0.0011","11.2699","0.0015","15.485","0.002","90.087","0.005","99.656","0.005","101.285","0.005","1366","0.3","150","2","150.53","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Cl F N4 O6 -","- C28 H32 Cl F N4 O6 -","- C56 H64 Cl2 F2 N8 O12 -","2","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.0647","0.0439","","","0.0973","0.1069","","","","","","1.03","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246501","10.93","0.002","7.2541","0.0014","35.222","0.006","90","","93.749","0.007","90","","2786.7","0.9","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 Cl2 F2 N8 O12 -","- C56 H66 Cl2 F2 N8 O12 -","- C112 H132 Cl4 F4 N16 O24 -","2","0.5","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.1306","0.0716","","","0.1863","0.2222","","","","","","1.069","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246502","12.1642","0.0018","7.4425","0.0011","31.958","0.005","90","","95.245","0.006","90","","2881.1","0.8","150","2","149.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl F N4 O5 -","- C31 H32 Cl F N4 O5 -","- C124 H128 Cl4 F4 N16 O20 -","4","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.0615","0.0438","","","0.135","0.1509","","","","","","1.024","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246504","6.5339","0.0003","7.1569","0.0003","37.6943","0.0015","90","","90","","90","","1762.68","0.13","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.0547","0.0428","","","0.1051","0.1168","","","","","","1.083","","","","has coordinates","283212","2023-05-05","01:26:01",""
"7246505","6.5274","0.0003","7.2009","0.0003","37.7553","0.0016","90","","90","","90","","1774.62","0.13","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0281","0.0278","","","0.078","0.0783","","","","","","1.064","","","","has coordinates","283212","2023-05-05","01:26:03",""
"7246506","6.5322","0.0015","7.3486","0.0017","37.987","0.009","91.159","0.003","93.956","0.003","90.147","0.004","1818.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","2","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.1554","0.0699","","","0.1589","0.1995","","","","","","0.92","","","","has coordinates","283212","2023-05-05","01:26:07",""
"7246507","6.541","0.0002","7.1465","0.0002","37.8014","0.001","91.082","0.0012","94.097","0.0012","90.1522","0.0013","1762.19","0.09","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","2","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0651","0.0579","","","0.1607","0.1644","","","","","","1.197","","","","has coordinates","283212","2023-05-05","01:26:11",""
"7246508","7.8959","0.0007","9.112","0.0007","13.1382","0.0011","93.469","0.005","94.076","0.004","101.046","0.004","922.74","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 N2 Ni0.5 O7 -","- C18 H23 N2 Ni0.5 O7 -","- C36 H46 N4 Ni O14 -","2","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0746","0.0571","","","0.1387","0.1465","","","","","","1.074","","","","has coordinates,has disorder","283207","2023-05-05","01:23:46",""
"7246509","34.338","0.002","34.338","0.002","12.6009","0.0011","90","","90","","120","","12867.1","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H21.06 N4 Ni0.5 O3 -","- C26 H21 N4 Ni0.5 O3 -","- C468 H378 N72 Ni9 O54 -","18","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","1.54184","CuKα","","0.0945","0.067","","","0.1924","0.2197","","","","","","1.056","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246510","10.804","0.001","18.8611","0.0014","16.7162","0.0014","90","","99.623","0.003","90","","3358.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N4 Ni O9 -","- C34 H40 N4 Ni O9 -","- C136 H160 N16 Ni4 O36 -","4","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0653","0.0524","","","0.1117","0.117","","","","","","1.069","","","","has coordinates","283207","2023-05-05","01:23:47",""
"7246511","20.668","0.0018","5.9629","0.0005","23.892","0.002","90","","103.289","0.003","90","","2865.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N4 Ni O8 -","- C28 H23.9998 N4 Ni O8 -","- C112 H95.9992 N16 Ni4 O32 -","4","0.5","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0735","0.0556","","","0.1314","0.1414","","","","","","1.039","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246512","9.6562","0.0001","11.6905","0.0001","35.064","0.0004","91.265","0.001","93.965","0.001","93.603","0.001","3939.56","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 N5 O25 Sm2 -","- C79 H85 N5 O25 Sm2 -","- C158 H170 N10 O50 Sm4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0282","0.0229","","","0.0503","0.0524","","","","","","1.037","","","","has coordinates,has disorder","283204","2023-05-05","01:22:41",""
"7246513","9.6431","0.0001","11.6693","0.0001","34.9873","0.0004","91.212","0.001","93.949","0.001","93.586","0.001","3918.74","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 Eu2 N5 O25 -","- C79 H85 Eu2 N5 O25 -","- C158 H170 Eu4 N10 O50 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0479","0.032","","","0.0666","0.0717","","","","","","1.03","","","","has coordinates,has disorder","283204","2023-05-05","01:22:41",""
"7246514","9.6431","0.0007","11.6865","0.0009","34.943","0.003","90.941","0.003","94.27","0.003","93.617","0.004","3918.2","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H78 Gd2 N4 O24 -","- C76 H78 Gd2 N4 O24 -","- C152 H156 Gd4 N8 O48 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.058","0.0509","","","0.1354","0.1412","","","","","","1.084","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246515","9.6298","0.0001","11.6484","0.0001","35.049","0.0004","91.288","0.001","94.152","0.001","93.793","0.001","3911.13","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 N5 O25 Tb2 -","- C79 H85 N5 O25 Tb2 -","- C158 H170 N10 O50 Tb4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0383","0.0281","","","0.0607","0.0642","","","","","","1.04","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246516","9.7244","0.0006","13.8269","0.0008","22.6816","0.0014","83.161","0.004","79.17","0.004","84.514","0.004","2965.7","0.3","150","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Gd2 N2 O17 -","- C54 H50 Gd2 N2 O17 -","- C108 H100 Gd4 N4 O34 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0699","0.0554","","","0.1464","0.1564","","","","","","1.045","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246517","9.8235","0.0006","13.8714","0.0009","22.4913","0.0015","83.593","0.003","78.224","0.003","84.961","0.004","2974.9","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Ho2 N4 O19 -","- C60 H64 Ho2 N4 O19 -","- C120 H128 Ho4 N8 O38 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0657","0.0552","","","0.1269","0.1344","","","","","","1.049","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246518","9.6965","0.0006","13.7603","0.0009","22.5832","0.0014","83.287","0.002","78.791","0.002","84.572","0.002","2927.5","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Er2 N2 O17 -","- C54 H50 Er2 N2 O17 -","- C108 H100 Er4 N4 O34 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0445","0.0414","","","0.1098","0.1132","","","","","","1.084","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246519","9.6157","0.0009","11.653","0.0011","34.944","0.003","91.143","0.003","94.27","0.003","93.785","0.004","3894.9","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 Ho2 N5 O25 -","- C79 H85 Ho2 N5 O25 -","- C158 H170 Ho4 N10 O50 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.043","0.0391","","","0.0991","0.102","","","","","","1.044","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246520","9.8353","0.001","13.8578","0.0013","22.505","0.002","83.589","0.004","78.689","0.004","84.942","0.004","2982","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 N4 O19 Tb2 -","- C60 H64 N4 O19 Tb2 -","- C120 H128 N8 O38 Tb4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0758","0.0698","","","0.2064","0.2158","","","","","","1.222","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246521","9.8652","0.0007","13.8653","0.001","22.5242","0.0016","83.601","0.004","78.971","0.004","85.08","0.004","2998.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Eu2 N4 O19 -","- C60 H64 Eu2 N4 O19 -","- C120 H128 Eu4 N8 O38 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0658","0.0565","","","0.1396","0.1449","","","","","","1.108","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246522","4.881","0.0002","36.8398","0.0013","8.6324","0.0003","90","","104.518","0.004","90","","1502.67","0.1","113.15","","113.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0768","0.0605","","","0.1584","0.1772","","","","","","1.073","","","","has coordinates","283201","2023-05-05","01:19:38",""
"7246523","6.2342","0.0008","14.8463","0.0018","18.019","0.002","90","","90","","90","","1667.7","0.3","294.15","","294.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C68 H56 F24 N8 O4 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1338","0.0742","","","0.1735","0.2074","","","","","","1.041","","","","has coordinates,has disorder","283201","2023-05-05","01:19:49",""
"7246524","4.9857","0.0008","10.6861","0.0012","16.2064","0.0017","78.81","0.009","83.66","0.011","88.872","0.011","841.84","0.19","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C34 H28 F12 N4 O2 -","2","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1663","0.0764","","","0.1901","0.2494","","","","","","1.025","","","","has coordinates,has disorder","283201","2023-05-05","01:20:02",""
"7246525","7.4706","0.0006","30.0542","0.0015","7.4459","0.0007","90","","117.037","0.012","90","","1489.1","0.3","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0784","0.0542","","","0.1297","0.1492","","","","","","1.048","","","","has coordinates","283201","2023-05-05","01:20:13",""
"7246529","17.0057","0.0019","47.058","0.004","35.948","0.004","90","","96.993","0.004","90","","28554","5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C1216 H1344 N192 O192 S64 -","64","16","","Ahmad, Ishtiyaq; Ganie, Arshid A.; Ahmad, Shamim; Ahangar, Aadil A.; Reddy, C. Malla; Dar, Aijaz A.","A high Z′ structure of an organic salt with unusually high phase stability, nanoindentation, and mechano and vapo-fluorochromism","CrystEngComm","2023","25","21","3164","3170","10.1039/D2CE01693A","","","0.71073","MoKα","","0.0622","0.0439","","","0.1079","0.1163","","","","","","1.046","","","","has coordinates","284273","2023-06-05","04:28:23",""
"7246530","5.9862","0.0001","26.6117","0.0003","11.3914","0.0002","90","","101.668","0.001","90","","1777.18","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 Eu2 N2 O16 -","- C19 H20 Eu2 N2 O16 -","- C38 H40 Eu4 N4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0542","0.0525","","","0.1587","0.1596","","","","","","1.235","","","","has coordinates","283203","2023-05-05","01:20:43",""
"7246531","6.0396","0.0001","26.7827","0.0003","11.483","0.0002","90","","101.974","0.001","90","","1817.04","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H26 N4 O16 Pr2 -","- C23 H26 N4 O16 Pr2 -","- C46 H52 N8 O32 Pr4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0502","0.0487","","","0.1411","0.142","","","","","","1.216","","","","has coordinates","283203","2023-05-05","01:20:45",""
"7246532","6.0356","0.0001","26.7275","0.0004","11.4561","0.0002","90","","101.874","0.002","90","","1808.51","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 Nd2 O16 -","- C19 H20 N2 Nd2 O16 -","- C38 H40 N4 Nd4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.062","0.061","","","0.167","0.1674","","","","","","1.376","","","","has coordinates","283203","2023-05-05","01:20:55",""
"7246533","5.9578","0.0001","26.4881","0.0005","11.3463","0.0002","90","","101.548","0.002","90","","1754.32","0.06","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Tb2 -","- C19 H20 N2 O16 Tb2 -","- C38 H40 N4 O32 Tb4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0817","0.0776","","","0.1947","0.1966","","","","","","1.274","","","","has coordinates","283203","2023-05-05","01:20:59",""
"7246534","6.00619","0.00014","26.6761","0.0007","11.4263","0.0003","90","","101.705","0.003","90","","1792.67","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Sm2 -","- C19 H20 N2 O16 Sm2 -","- C38 H40 N4 O32 Sm4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.059","0.0573","","","0.1183","0.119","","","","","","1.0235","","","","has coordinates","283203","2023-05-05","01:21:10",""
"7246535","9.5113","0.0004","12.2963","0.0005","14.3259","0.0005","90","","90","","90","","1675.47","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0259","0.0258","","","0.0675","0.0676","","","","","","1.043","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246536","10.43482","0.00016","10.88547","0.00017","16.7749","0.0003","90","","95.4518","0.0015","90","","1896.81","0.05","150","0.2","150","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54184","CuKα","","0.0425","0.0344","","","0.0794","0.0856","","","","","","1.08","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246537","9.7147","0.0005","13.1197","0.0007","13.9392","0.0008","90","","90","","90","","1776.61","0.17","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0287","0.0284","","","0.0763","0.0768","","","","","","1.046","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246538","11.1727","0.0013","12.5417","0.0014","13.6848","0.0016","90","","90","","90","","1917.6","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C88 H128 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0297","0.0293","","","0.0772","0.0776","","","","","","1.088","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246539","10.1971","0.0006","13.0846","0.0008","13.6747","0.0008","90","","90","","90","","1824.55","0.19","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0252","0.025","","","0.0644","0.0645","","","","","","1.034","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246542","8.7789","0.0005","10.3493","0.0006","11.4397","0.0006","96.56","0.002","102.11","0.002","102.726","0.002","977.14","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 4-methylanisole","","- C52 H46 N2 O -","- C52 H46 N2 O -","- C52 H46 N2 O -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.0473","0.0411","","","0.1075","0.1129","","","","","","1.05","","","","has coordinates,has disorder","284256","2023-06-05","04:22:08",""
"7246543","8.854","0.0004","10.4874","0.0005","11.4956","0.0006","96.485","0.002","102.37","0.002","102.734","0.002","1002.53","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 3-methylanisole","","- C52 H46 N2 O -","- C52 H46 N2 O -","- C52 H46 N2 O -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.0589","0.0477","","","0.133","0.1436","","","","","","1.051","","","","has coordinates,has disorder","284256","2023-06-05","04:22:09",""
"7246544","12.3235","0.0007","13.4341","0.0008","13.8154","0.0008","107.75","0.002","93.267","0.002","102.939","0.002","2103.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C109 H104 N4 O3 -","- C109 H104 N4 O3 -","- C109 H104 N4 O3 -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.058","0.0437","","","0.1081","0.1208","","","","","","1.03","","","","has coordinates,has disorder","284256","2023-06-05","04:22:09",""
"7246545","6.6428","0.0003","14.1206","0.0007","18.279","0.0009","90","","90","","90","","1714.58","0.14","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N2 O6 S -","- C14 H26 N2 O6 S -","- C56 H104 N8 O24 S4 -","4","1","","Haku, Ryotaro; Takatori, Kazuhiko; Suzuki, Naoto; Ono, Makoto; Titapiwatanakun, Varin; Fukami, Toshiro","Exploration and characterization of a novel cocrystal hydrate consisting of captopril, an amino acid-derived drug","CrystEngComm","2023","25","17","2523","2533","10.1039/D3CE00181D","","","1.54187","CuKα","","0.0326","0.0321","","","0.0904","0.0908","","","","","","1.069","","","","has coordinates","283199","2023-05-05","01:19:09",""
"7246559","14.7676","0.0003","19.8952","0.0005","23.4556","0.0005","65.078","0.001","80.373","0.001","86.046","0.001","6161.6","0.2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Eu F12 N O9 -","- C70 H54 Eu F12 N O9 -","- C280 H216 Eu4 F48 N4 O36 -","4","2","","Yin, Sen; Li, Xiaomeng; Wang, Hongjing; Li, Jingya; Huang, Wenru; Gao, Ting; Yan, Pengfei; Zhou, Yanyan; Li, Hongfeng","Coordination-driven self-assembly of a sandwich shaped Eu(iii) complex for induced circularly polarized luminescence","CrystEngComm","2023","25","10","1541","1549","10.1039/D3CE00030C","","x-ray","0.71073","MoKα","","0.0846","0.049","","","0.0944","0.1103","","","","","","1.015","","","","has coordinates,has disorder","282235","2023-04-04","01:51:06",""
"7246566","16.7971","0.0006","10.4049","0.0004","20.9204","0.0008","90","","92.477","0.003","90","","3652.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 N9 S3 -","- C42 H33 N9 S3 -","- C168 H132 N36 S12 -","4","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1273","0.0628","","","0.1529","0.1913","","","","","","1.042","","","","has coordinates","283197","2023-05-05","01:18:44",""
"7246567","16.252","0.0005","9.079","0.0003","23.6755","0.0006","90","","94.965","0.003","90","","3480.26","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H31 N9 S3 -","- C41 H31 N9 S3 -","- C164 H124 N36 S12 -","4","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1051","0.0623","","","0.1678","0.1993","","","","","","1.029","","","","has coordinates","283197","2023-05-05","01:18:48",""
"7246568","11.1814","0.0003","14.2429","0.0004","16.0263","0.0005","65.064","0.003","71.346","0.003","81.023","0.002","2192.11","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H39 N9 S3 -","- C45 H39 N9 S3 -","- C90 H78 N18 S6 -","2","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1003","0.0616","","","0.1509","0.1704","","","","","","1.051","","","","has coordinates,has disorder","283197","2023-05-05","01:18:48",""
"7246569","11.1802","0.0006","9.6493","0.0006","15.1332","0.0008","90","","90","","90","","1632.59","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H30 N3 P S -","- C12 H30 N3 P S -","- C48 H120 N12 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0404","0.0362","","","0.0883","0.0912","","","","","","1.056","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246570","9.0129","0.0007","10.0163","0.0007","10.472","0.0007","64.525","0.007","76.954","0.006","66.104","0.007","778.78","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N2 O3 P -","- C17 H15 N2 O3 P -","- C34 H30 N4 O6 P2 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","0.71073","MoKα","","0.0569","0.0434","","","0.1053","0.1159","","","","","","1.036","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246571","9.4456","0.0002","12.1063","0.0002","14.6424","0.0003","90","","90","","90","","1674.38","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N6 P S -","- C15 H15 N6 P S -","- C60 H60 N24 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0254","0.0246","","","0.0628","0.0636","","","","","","1.052","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246572","11.2653","0.0002","19.0533","0.0004","8.9226","0.0002","90","","99.3906","0.0019","90","","1889.49","0.07","120","0.1","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl N2 O2 P -","- C18 H28 Cl N2 O2 P -","- C72 H112 Cl4 N8 O8 P4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","1.54184","CuKα","","0.0326","0.0312","","","0.053","0.0537","","","","2.14","2.14","2.12","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246573","6.0515","0.0002","17.9235","0.0008","19.304","0.0008","90","","93.157","0.003","90","","2090.61","0.14","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl N2 O2 P -","- C20 H32 Cl N2 O2 P -","- C80 H128 Cl4 N8 O8 P4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","1.54184","CuKα","","0.062","0.0513","","","0.0607","0.0632","","","","1.75","1.75","1.62","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246576","8.806","0.002","9.11","0.003","23.923","0.006","90","","96.827","0.006","90","","1905.6","0.9","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cu N4 O4 -","- C19 H18 Cu N4 O4 -","- C76 H72 Cu4 N16 O16 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0625","0.0441","","","0.0989","0.1067","","","","","","1.044","","","","has coordinates","284252","2023-06-05","04:20:58",""
"7246577","13.4822","0.0009","10.2082","0.0007","19.4797","0.0013","90","","105.29","0.002","90","","2586.1","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cu4 N6 O22 -","- C48 H50 Cu4 N6 O22 -","- C96 H100 Cu8 N12 O44 -","2","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1031","0.0501","","","0.0933","0.11","","","","","","0.996","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246578","13.4355","0.0011","14.4906","0.0012","8.9824","0.0007","90","","99.255","0.002","90","","1726","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cu N2 O5 -","- C17 H18 Cu N2 O5 -","- C68 H72 Cu4 N8 O20 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0604","0.0421","","","0.1033","0.1106","","","","","","1.053","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246579","9.1259","0.0007","13.4355","0.001","14.5446","0.0011","90","","90","","90","","1783.3","0.2","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15.5 Cu N2 O4.25 -","- C18 H15.5 Cu N2 O4.2499 -","- C72 H62 Cu4 N8 O16.9996 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0825","0.0626","","","0.1297","0.1397","","","","","","1.028","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246580","9.193","0.002","12.176","0.005","20.62","0.008","90","","98.301","0.018","90","","2283.9","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cu N2 O8.5 -","- C22 H25 Cu N2 O8.5 -","- C88 H100 Cu4 N8 O34 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1371","0.0883","","","0.1828","0.2072","","","","","","1.002","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246581","20.737","0.004","8.442","0.0017","40.952","0.008","90","","97.09","0.03","90","","7114","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 N6 O21 -","- C64 H80 Cu4 N6 O21 -","- C256 H320 Cu16 N24 O84 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.788","","","0.1042","0.0864","","","0.2121","0.2228","","","","","","1.039","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246582","24.8208","0.0014","19.2806","0.0011","13.1952","0.0008","90","","95.625","0.001","90","","6284.3","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cu4 N8 O24 -","- C60 H72 Cu4 N8 O24 -","- C240 H288 Cu16 N32 O96 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1046","0.0587","","","0.1471","0.1714","","","","","","1.016","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246583","16.7676","0.0006","13.2787","0.0005","17.0342","0.0006","90","","117.98","0.002","90","","3349.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H87 Cu4 N6 O21.5 -","- C64 H87 Cu4 N6 O21.5 -","- C128 H174 Cu8 N12 O43 -","2","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0404","0.0331","","","0.089","0.0934","","","","","","1.067","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246584","8.7502","0.0003","9.7243","0.0003","16.258","0.0005","97.669","0.003","90.451","0.003","112.261","0.002","1266.25","0.07","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Zhang, Min; Wang, Min-Yu; Yu, Yue-Ming; Meng, Su-Su; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Supramolecular self-assembly with p-coumaric acid offers the first cocrystal for perfecting the physicochemical peculiarity and enhancing the antifungal effect of drug bifonazole","CrystEngComm","2023","25","18","2789","2801","10.1039/D3CE00082F","","","1.54186","CuKα","","0.0718","0.0654","","","0.1749","0.1818","","","","","","1.045","","","","has coordinates","284267","2023-06-05","04:25:37",""
"7246585","21.0625","0.0004","11.03858","0.00013","34.7488","0.0004","90","","98.5112","0.0013","90","","7990.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C85 H79 Eu2 N9 O20 -","- C85 H79 Eu2 N9 O20 -","- C340 H316 Eu8 N36 O80 -","4","0.5","","Zhao, Li-Juan; Li, Bin; Yong, Guo-Ping","Four isostructural lanthanide metal–organic frameworks: luminescence properties and fluorescence sensing for Fe3+ and Cr2O72− ions","CrystEngComm","2023","25","18","2813","2823","10.1039/D3CE00142C","","","1.54184","CuKα","","0.0537","0.042","","","0.101","0.1096","","","","","","1.039","","","","has coordinates","284264","2023-06-05","04:24:39",""
"7246586","6.925","0.003","27.776","0.011","9.963","0.005","90","","106.46","0.03","90","","1837.8","1.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F4 N4 O3 -","- C19 H12 F4 N4 O3 -","- C76 H48 F16 N16 O12 -","4","1","","Meng, Xiao; Xu, Shu; Chen, Changqing; Guo, Lihui; Ma, Yuguo","Topochemical 1,3-dipolar cycloaddition polymerization assisted by non-covalent interactions","CrystEngComm","2023","25","18","2706","2711","10.1039/D3CE00105A","","","0.71073","MoKα","","0.1017","0.0869","","","0.207","0.2163","","","","","","1.192","","","","has coordinates","284266","2023-06-05","04:25:22",""
"7246587","9.197","0.0004","9.197","0.0004","14.6568","0.0007","90","","90","","90","","1239.74","0.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C16 H64 N32 O32 -","16","1","","Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.","Polymorph II of hydroxyurea 150 years after its first synthesis","CrystEngComm","2023","25","18","2712","2716","10.1039/D3CE00163F","","","0.71073","MoKα","","0.0353","0.0321","","","0.0988","0.1201","","","","","","1.252","","","","has coordinates","284261","2023-06-05","04:24:05",""
"7246588","8.3422","0.001","4.8944","0.0006","8.7962","0.001","90","","122.423","0.003","90","","303.16","0.06","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hydroxyurea","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C4 H16 N8 O8 -","4","1","","Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.","Polymorph II of hydroxyurea 150 years after its first synthesis","CrystEngComm","2023","25","18","2712","2716","10.1039/D3CE00163F","","","0.71073","MoKα","","0.0598","0.0595","","","0.1743","0.1745","","","","","","1.164","","","","has coordinates","284261","2023-06-05","04:24:12",""
"7246604","7.909","0.00013","3.95477","0.00007","7.94357","0.00013","90","","90.0831","0.0015","90","","248.461","0.007","293","0.1","293","0.1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","Europium disulfide","Europium (III) disulfide","","- Eu S2 -","- Eu S2 -","- Eu4 S8 -","4","1","","Ekimov, E. A.; Nikolaev, S. N.; Ivanova, A. G.; Sidorov, V. A.; Shiryaev, A. A.; Usmanov, I. I.; Vasiliev, A. L.; Artemov, V. V.; Kondrin, M. V.; Chernopitsskiy, M. A.; Krivobok, V. S.","Structural, optical and transport properties of layered europium disulfide synthesized under high pressure","CrystEngComm","2023","25","19","2966","2978","10.1039/D2CE01647H","","x-ray","0.71073","MoKα","","0.0144","0.0121","","","0.0229","0.0232","","","","","","1.074","","","","has coordinates","284250","2023-06-05","04:20:31",""
"7246611","10.3022","0.0005","17.0112","0.0008","13.9944","0.0007","90","","109.803","0.002","90","","2307.5","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O8 Zn2 -","- C25 H16 N2 O8 Zn2 -","- C100 H64 N8 O32 Zn8 -","4","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.043","0.0336","","","0.0797","0.0843","","","","","","1.05","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246612","9.3209","0.0004","9.6054","0.0004","10.9253","0.0005","97.395","0.001","92.419","0.001","103.814","0.001","939.25","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N O8 Zn2 -","- C20 H12 N O8 Zn2 -","- C40 H24 N2 O16 Zn4 -","2","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.0402","0.0372","","","0.0982","0.101","","","","","","1.047","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246613","15.4865","0.0006","7.7516","0.0003","21.7882","0.0009","90","","107.48","0.001","90","","2494.79","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H44 N4 O15 Zn3 -","- C56 H44 N4 O15 Zn3 -","- C112 H88 N8 O30 Zn6 -","2","0.5","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.048","0.0429","","","0.1154","0.12","","","","","","1.085","","","","has coordinates,has disorder","284259","2023-06-05","04:23:37",""
"7246614","21.1334","0.0008","10.3316","0.0004","26.5739","0.0008","90","","121.011","0.002","90","","4972.9","0.3","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 N4 O16 Zn4 -","- C54 H32 N4 O16 Zn4 -","- C216 H128 N16 O64 Zn16 -","4","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.0537","0.042","","","0.1058","0.1125","","","","","","1.023","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246615","8.2815","0.0003","16.5697","0.0001","4.7742","0.0003","90","","90","","90","","655.13","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H5 N7 O2 -","- C3 H5 N7 O2 -","- C12 H20 N28 O8 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.1267","0.0624","","","0.1222","0.1519","","","","","","1.052","","","","has coordinates","284276","2023-06-05","04:28:46",""
"7246616","3.6672","0.0003","24.648","0.002","7.3252","0.0007","90","","98.28","0.003","90","","655.22","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H6 N8 O -","- C3 H6 N8 O -","- C12 H24 N32 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0489","0.0386","","","0.0821","0.0881","","","","","","1.063","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246617","12.714","0.0016","8.0602","0.001","7.0415","0.0008","90","","95.899","0.003","90","","717.77","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C0.86 H1.71 N2.29 O0.57 -","- C0.857143 H1.71429 N2.28571 O0.571429 -","- C12 H24 N32 O8 -","14","3.5","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0506","0.0376","","","0.0848","0.0913","","","","","","1.111","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246618","12.9556","0.0015","8.7565","0.001","6.4841","0.0008","90","","104.077","0.003","90","","713.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O -","- C3 H7 N9 O -","- C12 H28 N36 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0794","0.0572","","","0.1306","0.1412","","","","","","1.178","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246619","7.7755","0.001","9.6671","0.0012","16.403","0.002","91.184","0.003","91.699","0.003","92.084","0.002","1231.3","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cl2 N O2 -","- C27 H31 Cl2 N O2 -","- C54 H62 Cl4 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0523","0.0409","","","0.1043","0.1127","","","","","","1.034","","","","has coordinates","287935","2023-12-01","15:08:13",""
"7246620","7.8919","0.0015","11.242","0.002","14.8","0.003","76.592","0.004","81.917","0.004","76.998","0.004","1239.1","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cl2 N O2 -","- C27 H31 Cl2 N O2 -","- C54 H62 Cl4 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0602","0.0427","","","0.0978","0.1073","","","","","","1.015","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246621","7.8166","0.0016","9.981","0.002","16.223","0.003","87.546","0.004","89.183","0.004","88.641","0.004","1264.1","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Cl3 N O2 -","- C27 H30 Cl3 N O2 -","- C54 H60 Cl6 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0423","0.0357","","","0.0952","0.1005","","","","","","1.034","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246622","7.938","0.009","11.115","0.013","15.689","0.018","74.87","0.02","87.11","0.02","83.09","0.02","1326","3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl5 N O2 -","- C27 H28 Cl5 N O2 -","- C54 H56 Cl10 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0735","0.0541","","","0.1418","0.1578","","","","","","1.021","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246628","11.3032","0.0004","9.775","0.0003","47.7728","0.0014","90","","93.4935","0.0009","90","","5268.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C62 H36 O8 -","- C62 H36 O8 -","- C248 H144 O32 -","4","1","","Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.","Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks","CrystEngComm","2023","25","18","2701","2705","10.1039/D3CE00228D","","","0.71073","MoKα","","0.0775","0.0623","","","0.13","0.1373","","","","","","1.104","","","","has coordinates,has disorder","284269","2023-06-05","04:26:57",""
"7246629","10.4851","0.0005","17.0154","0.0008","24.7946","0.0011","89.7118","0.0011","89.6383","0.0012","82.0544","0.0012","4381","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H59.5 N2.5 O10.5 Zn2 -","- C74.5 H59.5 N2.5 O10.5 Zn2 -","- C149 H119 N5 O21 Zn4 -","2","1","","Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.","Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks","CrystEngComm","2023","25","18","2701","2705","10.1039/D3CE00228D","","","0.71073","MoKα","","0.1075","0.1034","","","0.3158","0.3259","","","","","","1.584","","","","has coordinates,has disorder","284269","2023-06-05","04:26:57",""
"7246630","4.0174","0.0005","24.741","0.0018","13.0728","0.001","90","","95.086","0.005","90","","1294.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C44 H24 F4 N8 S12 Se4 -","2","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.0743","0.049","","","0.0968","0.1047","","","","","","1.041","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246631","16.3862","0.0016","20.785","0.002","7.6276","0.0009","90","","100.272","0.006","90","","2556.2","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C88 H48 F8 N16 S24 Se8 -","4","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.1001","0.0511","","","0.097","0.1149","","","","","","1.022","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246632","11.1356","0.0018","13.457","0.002","15.87","0.002","90","","103.005","0.004","90","","2317.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cd2 N8 O16 -","- C44 H36 Cd2 N8 O16 -","- C88 H72 Cd4 N16 O32 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.1056","0.036","","","0.0662","0.0936","","","","","","0.968","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246633","11.0553","0.0007","13.6054","0.001","15.7426","0.001","90","","104.307","0.002","90","","2294.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N8 O16 Zn2 -","- C44 H36 N8 O16 Zn2 -","- C88 H72 N16 O32 Zn4 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0863","0.0628","","","0.1158","0.1243","","","","","","1.088","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246634","9.2175","0.0003","11.0467","0.0005","13.4532","0.0006","104.477","0.002","101.662","0.002","109.627","0.001","1186.22","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N2 O9 -","- C24 H22 Cd N2 O9 -","- C48 H44 Cd2 N4 O18 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0693","0.0448","","","0.092","0.1033","","","","","","1.049","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246635","12.3981","0.0006","8.4459","0.0003","15.1806","0.0007","90","","104.276","0.002","90","","1540.52","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 Cd2 N O16 -","- C27 H25 Cd2 N O16 -","- C54 H50 Cd4 N2 O32 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0292","0.0272","","","0.0645","0.0658","","","","","","1.037","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246636","11.7905","0.0004","11.7905","0.0004","23.9682","0.0008","90","","90","","90","","3331.96","0.19","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H26 N2 O14 Zn2 -","- C34 H26 N2 O14 Zn2 -","- C136 H104 N8 O56 Zn8 -","4","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0336","0.0298","","","0.081","0.0836","","","","","","1.035","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246646","14.107","0.008","7.457","0.005","17.652","0.012","90","","107.15","0.03","90","","1774","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (1:0.5)","","- C16 H21 N5 O6 -","- C16 H21 N5 O6 -","- C64 H84 N20 O24 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0496","0.04","","","0.099","0.1053","","","","","","1.049","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246647","11.237","0.006","13.848","0.008","15.127","0.009","67.99","0.02","87.32","0.02","66.84","0.03","1992","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir-fumaric acid (2:2) Form I","","- C18 H23 N5 O8 -","- C18 H23 N5 O8 -","- C72 H92 N20 O32 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0585","0.0436","","","0.1005","0.1083","","","","","","1.053","","","","has coordinates,has disorder","283196","2023-05-05","01:18:10",""
"7246648","14.095","0.008","7.424","0.003","39.15","0.02","90","","91.267","0.013","90","","4096","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (2:2) Form II","","- C36 H46 N10 O16 -","- C36 H46 N10 O16 -","- C144 H184 N40 O64 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0829","0.0475","","","0.1056","0.1231","","","","","","1.012","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246649","11.005","0.004","12.739","0.004","11.783","0.004","90","","107.323","0.012","90","","1577","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Famciclovir anhydrate","","- C14 H19 N5 O4 -","- C14 H19 N5 O4 -","- C56 H76 N20 O16 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0576","0.0454","","","0.1071","0.1141","","","","","","1.024","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246650","14.056","0.004","7.578","0.003","17.799","0.007","90","","106.96","0.01","90","","1813.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (1:0.5)","","- C32 H42 N10 O12 -","- C32 H42 N10 O12 -","- C64 H84 N20 O24 -","2","0.5","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.091","0.0524","","","0.1201","0.1466","","","","","","1.05","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246651","14.012","0.01","7.541","0.006","39.34","0.03","90","","91.659","0.01","90","","4155","5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (2:2) Form II","","- C36 H46 N10 O16 -","- C36 H46 N10 O16 -","- C144 H184 N40 O64 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.1589","0.0614","","","0.1484","0.2009","","","","","","0.999","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246652","11.439","0.003","13.954","0.003","15.137","0.003","67.808","0.005","86.239","0.004","68.249","0.005","2070.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir-fumaric acid (2:2) Form I","","- C18 H23 N5 O8 -","- C18 H23 N5 O8 -","- C72 H92 N20 O32 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0876","0.0526","","","0.1359","0.1669","","","","","","1.019","","","","has coordinates,has disorder","283196","2023-05-05","01:18:10",""
"7246653","9.4819","0.0009","10.0041","0.0008","17.2683","0.0016","83.82","0.004","75.769","0.005","84.708","0.004","1574.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir monohydrate","","- C14 H21 N5 O5 -","- C14 H21 N5 O5 -","- C56 H84 N20 O20 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0936","0.0542","","","0.1063","0.1211","","","","","","1.039","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246654","15.3463","0.0006","6.7602","0.0002","8.0457","0.0003","90","","115.305","0.001","90","","754.6","0.05","296","","301","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F3 Gd2 Na O8 S2 -","- F3 Gd2 Na O8 S2 -","- F12 Gd8 Na4 O32 S8 -","4","0.5","","Yan, Jingdong; Chu, Dongdong; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie; Hou, Xueling","Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra","CrystEngComm","2023","25","19","2939","2945","10.1039/D3CE00254C","","","0.71073","MoKα","","0.0145","0.0134","","","0.0291","0.0294","","","","","","1.107","","","","has coordinates","284251","2023-06-05","04:20:39",""
"7246655","15.788","0.001","6.9859","0.0004","8.3004","0.0005","90","","115.725","0.002","90","","824.74","0.09","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F3 La2 Na O8 S2 -","- F3 La2 Na O8 S2 -","- F12 La8 Na4 O32 S8 -","4","0.5","","Yan, Jingdong; Chu, Dongdong; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie; Hou, Xueling","Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra","CrystEngComm","2023","25","19","2939","2945","10.1039/D3CE00254C","","","0.71073","MoKα","","0.0133","0.0131","","","0.033","0.0331","","","","","","1.089","","","","has coordinates","284251","2023-06-05","04:20:39",""
"7246657","10.8674","0.0007","13.4431","0.0008","17.3938","0.0011","87.805","0.002","78.109","0.001","73.839","0.001","2387.8","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H22 Cr Cu4 Mo6 N14 O32 -","- C12 H22 Cr Cu4 Mo6 N14 O32 -","- C24 H44 Cr2 Cu8 Mo12 N28 O64 -","2","1","","Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li","New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors","CrystEngComm","2023","25","20","3025","3032","10.1039/D3CE00269A","","x-ray","0.71073","MoKα","K-L~3~","0.0984","0.0516","","","0.0874","0.0997","","","","","","1.015","","","","has coordinates","284260","2023-06-05","04:23:46",""
"7246658","10.6104","0.0019","15.5334","0.0019","14.834","0.002","90","","101.287","0.003","90","","2397.6","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cu2 Mo4 N7 O17 -","- C6 H9 Cu2 Mo4 N7 O17 -","- C24 H36 Cu8 Mo16 N28 O68 -","4","1","","Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li","New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors","CrystEngComm","2023","25","20","3025","3032","10.1039/D3CE00269A","","x-ray","0.71073","MoKα","K-L~3~","0.0637","0.0399","","","0.0778","0.086","","","","","","1.013","","","","has coordinates","284260","2023-06-05","04:23:47",""
"7246664","7.0683","0.0015","8.6879","0.0017","9.462","0.002","111.186","0.008","108.771","0.008","97.407","0.008","492.78","0.18","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C7 H4 N2 O S4 -","- C7 H4 N2 O S4 -","- C14 H8 N4 O2 S8 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0287","0.0274","","","0.0766","0.0787","","","","","","1.029","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246665","14.498","0.0013","7.5276","0.0009","16.6742","0.0017","90","","111.731","0.005","90","","1690.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C48 H40 N8 S32 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.06","0.0374","","","0.0894","0.1013","","","","","","1.049","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246666","9.19","0.0018","10.0186","0.0017","8.6765","0.0017","90","","98.049","0.007","90","","791","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 N O S4 -","- C5 H3 N O S4 -","- C20 H12 N4 O4 S16 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0455","0.0385","","","0.0981","0.1036","","","","","","1.167","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246667","19.606","0.004","3.8452","0.0007","20.687","0.004","90","","91.669","0.009","90","","1558.9","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 N2 O S4 -","- C5 N2 O S4 -","- C40 N16 O8 S32 -","8","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0738","0.0571","","","0.1197","0.1257","","","","","","1.09","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246668","6.0133","0.0003","10.3719","0.0007","14.1989","0.0009","84.691","0.002","79.633","0.002","85.606","0.002","865.76","0.09","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C24 H20 N4 S16 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0807","0.0839","","","","","","1.062","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246669","7.1063","0.0015","12.405","0.003","13.462","0.004","100.797","0.012","91.933","0.013","92.39","0.009","1163.7","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H7 F4 N5 S7 -","- C21 H7 F4 N5 S7 -","- C42 H14 F8 N10 S14 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0589","0.0436","","","0.0899","0.0964","","","","","","1.009","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246670","7.906","0.002","8.704","0.003","11.633","0.003","100.13","0.01","101.742","0.01","113.22","0.01","690.5","0.4","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H7 N S7 -","- C9 H7 N S7 -","- C18 H14 N2 S14 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0319","0.0274","","","0.0687","0.0727","","","","","","1.042","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246671","7.4506","0.0012","8.1175","0.0012","13.345","0.002","73.335","0.005","87.672","0.006","81.049","0.006","763.8","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H6 N2 S8 -","- C10 H6 N2 S8 -","- C20 H12 N4 S16 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0291","0.0274","","","0.0785","0.0806","","","","","","1.039","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246672","7.2339","0.001","10.7451","0.0015","13.7344","0.0019","77.886","0.005","87.003","0.005","72.421","0.005","995","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H12 F4 I2 N6 S14 -","- C30 H12 F4 I2 N6 S14 -","- C30 H12 F4 I2 N6 S14 -","1","0.5","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0469","0.0382","","","0.0895","0.094","","","","","","1.081","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246673","11.1792","0.0003","6.3833","0.0001","7.9535","0.0002","90","","104.23","0.003","90","","550.15","0.02","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Ag N S2 -","- C3 H4 Ag N S2 -","- C12 H16 Ag4 N4 S8 -","4","1","","Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Yoshikawa, Hirofumi; Nakamura, Yuiga; Tanaka, Daisuke","Selective synthesis of two-dimensional semiconductive coordination polymers with silver–sulfur network","CrystEngComm","2023","25","20","2990","2994","10.1039/D3CE00106G","","x-ray","0.4156","synchrotron","","0.0495","0.0487","","","0.1439","0.1451","","","","","","1.101","","","","has coordinates","284255","2023-06-05","04:21:38",""
"7246674","12.4028","0.0003","10.0914","0.0003","7.3468","0.0002","90","","91.801","0.002","90","","919.08","0.04","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Ag2 F3 N O2 S2 -","- C5 H4 Ag2 F3 N O2 S2 -","- C20 H16 Ag8 F12 N4 O8 S8 -","4","1","","Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Yoshikawa, Hirofumi; Nakamura, Yuiga; Tanaka, Daisuke","Selective synthesis of two-dimensional semiconductive coordination polymers with silver–sulfur network","CrystEngComm","2023","25","20","2990","2994","10.1039/D3CE00106G","","x-ray","0.71073","MoKα","","0.0463","0.0357","","","0.0866","0.0918","","","","","","1.031","","","","has coordinates","284255","2023-06-05","04:21:47",""
"7246683","11.6265","0.0004","11.6941","0.0006","12.1146","0.0006","73.313","0.002","77.928","0.001","80.047","0.001","1531.64","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine 18-crown-6 2:1 cocrystal","","- C24 H32 F6 N6 O10 -","- C24 H32 F6 N6 O10 -","- C48 H64 F12 N12 O20 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0658","0.0437","","","0.1215","0.1448","","","","","","1.011","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246684","14.0576","0.0005","11.0469","0.0003","15.0431","0.0006","90","","111.343","0.002","90","","2175.87","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-fluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H30 F N3 O8 -","- C18 H30 F N3 O8 -","- C72 H120 F4 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0472","0.0346","","","0.08","0.0874","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246685","11.4494","0.0006","11.7343","0.0006","12.2027","0.0006","73.603","0.002","77.788","0.002","79.85","0.002","1525.26","0.14","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","2,4-difluoro-6-nitrobenzene-1,3-diamine 18-crown-6 2:1 cocrystal","","- C24 H34 F4 N6 O10 -","- C24 H34 F4 N6 O10 -","- C48 H68 F8 N12 O20 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0674","0.0411","","","0.1127","0.1347","","","","","","0.97","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246686","7.9046","0.0008","9.2505","0.0008","15.7606","0.0016","79.769","0.003","84.623","0.003","78.313","0.004","1108.61","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-difluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H29 F2 N3 O8 -","- C18 H29 F2 N3 O8 -","- C36 H58 F4 N6 O16 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.082","0.0636","","","0.1754","0.1991","","","","","","1.027","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246687","7.1452","0.0004","13.566","0.0008","7.7555","0.0005","90","","90","","90","","751.75","0.08","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine","","- C6 H4 F3 N3 O2 -","- C6 H4 F3 N3 O2 -","- C24 H16 F12 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0421","0.033","","","0.096","0.1053","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246688","4.5277","0.0002","11.3347","0.0006","13.835","0.0007","90","","93.899","0.0017","90","","708.37","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-fluoro-6-nitrobenzene-1,3-diamine","","- C6 H6 F N3 O2 -","- C6 H6 F N3 O2 -","- C24 H24 F4 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.048","0.0411","","","0.1123","0.1229","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246689","8.0036","0.0007","9.2934","0.0007","15.7077","0.0012","80.801","0.004","81.339","0.004","78.77","0.004","1122.6","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H28 F3 N3 O8 -","- C18 H28 F3 N3 O8 -","- C36 H56 F6 N6 O16 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.1134","0.0944","","","0.3077","0.3318","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246690","7.6215","0.0004","3.675","0.0002","13.2829","0.0007","90","","104.936","0.002","90","","359.47","0.03","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2,4-difluoro-6-nitrobenzene-1,3-diamine","","- C6 H5 F2 N3 O2 -","- C6 H5 F2 N3 O2 -","- C12 H10 F4 N6 O4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0282","0.0257","","","0.0765","0.0792","","","","","","1.035","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246691","13.7751","0.001","11.1808","0.0006","14.7876","0.0011","90","","109.477","0.003","90","","2147.2","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4-diaminenitrobenzene 18-crown-6 1:1 cocrystal","","- C18 H31 N3 O8 -","- C18 H31 N3 O8 -","- C72 H124 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0458","0.0403","","","0.1076","0.115","","","","","","0.986","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246692","19.017","0.004","10.115","0.002","13.08","0.003","90","","97.672","0.008","90","","2493.5","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cd F6 N8 Si -","- C24 H20 Cd F6 N8 Si -","- C96 H80 Cd4 F24 N32 Si4 -","4","0.5","","Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing","Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine","CrystEngComm","2023","25","21","3222","3228","10.1039/D3CE00302G","","","0.71073","MoKα","","0.0404","0.0328","","","0.1134","0.1293","","","","","","1.017","","","","has coordinates","284270","2023-06-05","04:27:06",""
"7246693","18.5204","0.0011","18.0376","0.001","12.4569","0.0007","90","","125.092","0.002","90","","3405","0.3","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cd F6 N8 Si -","- C24 H20 Cd F6 N8 Si -","- C96 H80 Cd4 F24 N32 Si4 -","4","0.5","","Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing","Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine","CrystEngComm","2023","25","21","3222","3228","10.1039/D3CE00302G","","","1.34139","GaKα","","0.0733","0.0698","","","0.2575","0.2611","","","","","","1.385","","","","has coordinates","284270","2023-06-05","04:27:09",""
"7246701","10.8682","0.0002","32.7516","0.0008","13.6339","0.0002","90","","98.507","0.001","90","","4799.61","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cu F6 N2 O P3 -","- C54 H44 Cu F6 N2 O P3 -","- C216 H176 Cu4 F24 N8 O4 P12 -","4","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.1035","0.0871","","","0.1739","0.19","","","","","","1.128","","","","has coordinates,has disorder","284257","2023-06-05","04:23:00",""
"7246702","10.8302","0.0004","11.9965","0.0004","17.2894","0.0006","98.862","0.003","95.289","0.003","102.775","0.003","2145.9","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu F6 N2 O P3 -","- C50 H40 Cu F6 N2 O P3 -","- C100 H80 Cu2 F12 N4 O2 P6 -","2","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.115","0.0885","","","0.1749","0.1998","","","","","","0.95","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246703","10.9817","0.0008","15.119","0.0008","18.478","0.0012","112.459","0.003","93.961","0.003","108.337","0.005","2627.9","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H47 Cl3 Cu F6 N2 O P3 -","- C53 H44 Cu F6 N2 O P3 -","- C106 H88 Cu2 F12 N4 O2 P6 -","2","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.1179","0.0889","","","0.1724","0.1935","","","","","","0.995","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246704","17.0919","0.0003","14.2952","0.0003","20.6426","0.0003","90","","103.521","0.001","90","","4903.86","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H48 Cu F6 N2 O P3 -","- C57 H48 Cu F6 N2 O P3 -","- C228 H192 Cu4 F24 N8 O4 P12 -","4","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.0936","0.0829","","","0.1745","0.1846","","","","","","1.013","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246705","6.6336","0.0001","8.8279","0.0001","10.2569","0.0002","90","","90.9385","0.0012","90","","600.571","0.016","293","","296.68","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Na3 O6 Pr -","- B2 Na3 O6 Pr -","- B8 Na12 O24 Pr4 -","4","1","","Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.","Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties","CrystEngComm","2023","25","19","2914","2924","10.1039/D3CE00248A","","x-ray","0.71073","MoKα","","0.0196","0.0182","","","0.0257","0.0261","","","","1.7","1.7","1.68","","","","has coordinates","284254","2023-06-05","04:21:28",""
"7246706","6.5247","0.0001","8.7309","0.0001","10.1447","0.0001","90","","90.8656","0.0011","90","","577.842","0.012","293","","294.7","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Gd Na3 O6 -","- B2 Gd Na3 O6 -","- B8 Gd4 Na12 O24 -","4","1","","Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.","Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties","CrystEngComm","2023","25","19","2914","2924","10.1039/D3CE00248A","","x-ray","0.71073","MoKα","","0.0169","0.0156","","","0.0217","0.0223","","","","1.45","1.45","1.44","","","","has coordinates","284254","2023-06-05","04:21:28",""
"7246707","4.3315","0.0004","18.5293","0.0017","21.324","0.002","90","","93.751","0.004","90","","1707.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br N2 O -","- C22 H15 Br N2 O -","- C88 H60 Br4 N8 O4 -","4","1","","Manoharan, Deepak; Ahmad, Shamim; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Stress and light sensitive dual-mechanical property of acylhydrazone crystal","CrystEngComm","2023","25","21","3237","3244","10.1039/D3CE00296A","","","0.71073","MoKα","","0.0624","0.0425","","","0.1017","0.1149","","","","","","1.038","","","","has coordinates","284272","2023-06-05","04:28:09",""
"7246710","7.7814","0.0012","10.0144","0.0012","15.979","0.002","87.193","0.007","77.808","0.007","69.864","0.007","1142.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0686","0.0593","","","0.1876","0.1971","","","","","","1.043","","","","has coordinates","284271","2023-06-05","04:27:45",""
"7246711","7.2548","0.0005","9.0844","0.0006","9.5457","0.0005","99.864","0.003","99.082","0.003","107.888","0.003","574.8","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N O3 -","- C12 H14 N O3 -","- C24 H28 N2 O6 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0465","0.0443","","","0.1235","0.1264","","","","","","1.065","","","","has coordinates","284271","2023-06-05","04:27:55",""
"7246712","9.931","0.0007","10.0681","0.0006","12.1027","0.0008","90","","99.78","0.004","90","","1192.52","0.14","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C48 H56 N4 O14 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0472","0.0404","","","0.1043","0.1108","","","","","","1.04","","","","has coordinates","284271","2023-06-05","04:27:57",""
"7246713","10.2189","0.0006","13.8655","0.001","16.3778","0.001","90","","93.473","0.003","90","","2316.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0447","0.0395","","","0.1139","0.1208","","","","","","1.064","","","","has coordinates","284271","2023-06-05","04:28:01",""
"7246714","21.6511","0.0017","6.9602","0.0006","5.9635","0.0005","90","","90","","90","","898.68","0.13","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine chloride","","- C6 H12 Cl0.95 I1.05 N2 -","- C6 H12 Cl0.9528 I1.0472 N2 -","- C24 H48 Cl3.8112 I4.1888 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.049","0.0291","","","0.0563","0.0608","","","","","","1.046","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246715","21.6028","0.0009","7.1603","0.0003","5.9684","0.0002","90","","90","","90","","923.21","0.06","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine bromide","","- C6 H12 Br0.96 I0.98 N2 -","- C6 H12 Br0.957 I0.983 N2 -","- C24 H48 Br3.828 I3.932 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.0157","0.0141","","","0.0284","0.0287","","","","","","1.105","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246716","29.742","0.003","4.0442","0.0004","21.075","0.002","90","","114.857","0.003","90","","2300.1","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","phenazine iodine bromide","","- C12 H8 Br I N2 -","- C12 H8 Br I N2 -","- C96 H64 Br8 I8 N16 -","8","1","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.061","0.0403","","","0.0788","0.0864","","","","","","1.037","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246730","6.8819","0.0004","18.2382","0.001","8.3735","0.0005","90","","101.22","0.002","90","","1030.9","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C48 H50 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0401","0.0346","","","0.0796","0.0839","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:10",""
"7246731","19.673","0.007","7.589","0.002","27.281","0.007","90","","90","","90","","4073","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O -","- C24 H24 F N3 O -","- C192 H192 F8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1827","0.0749","","","0.1566","0.2194","","","","","","1.034","","","","has coordinates","284914","2023-07-05","10:06:14",""
"7246732","21.3712","0.0007","10.6818","0.0003","19.0014","0.0006","90","","97.424","0.001","90","","4301.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br N3 O -","- C24 H24 Br N3 O -","- C192 H192 Br8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0826","0.0503","","","0.1295","0.1504","","","","","","1.042","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246733","10.7226","0.0008","13.7126","0.0011","14.8083","0.0013","90","","93.229","0.003","90","","2173.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl N3 O -","- C24 H24 Cl N3 O -","- C96 H96 Cl4 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0829","0.0486","","","0.1063","0.1262","","","","","","1.033","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246734","15.3952","0.001","31.5081","0.0017","9.8531","0.0006","90","","90","","90","","4779.5","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C25 H27 N3 O -","- C25 H27 N3 O -","- C200 H216 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1147","0.0641","","","0.1607","0.1887","","","","","","1.03","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246735","11.0228","0.0014","11.0661","0.0013","19.024","0.003","80.438","0.004","87.096","0.004","85.625","0.004","2279.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N3 O3 -","- C26 H27 N3 O3 -","- C104 H108 N12 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0693","0.0479","","","0.1174","0.1338","","","","","","1.05","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246736","9.4961","0.0003","16.3124","0.0005","17.0312","0.0006","75.852","0.001","84.434","0.001","78.983","0.001","2507.53","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 F6 N3 O -","- C26 H23 F6 N3 O -","- C104 H92 F24 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0811","0.0499","","","0.1192","0.1418","","","","","","1.032","","","","has coordinates,has disorder","284914","2023-07-05","10:06:17",""
"7246737","10.8627","0.0003","10.9176","0.0003","10.9887","0.0004","80.548","0.001","87.969","0.001","61.512","0.001","1128.47","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N3 O -","- C26 H29 N3 O -","- C52 H58 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0733","0.0566","","","0.1564","0.1747","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246738","7.8031","0.0003","10.8097","0.0004","13.6803","0.0005","104.082","0.001","92.947","0.001","108.109","0.001","1053.66","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O -","- C25 H24 N4 O -","- C50 H48 N8 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0743","0.0577","","","0.154","0.1689","","","","","","1.061","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246739","10.73","0.0009","13.6341","0.001","14.815","0.0014","90","","90.254","0.003","90","","2167.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C96 H96 N16 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0792","0.0487","","","0.1011","0.1224","","","","","","1.071","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246740","10.468","0.004","5.3181","0.0019","12.162","0.005","90","","104.68","0.04","90","","655","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0903","0.0513","","","0.1209","0.1395","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:23",""
"7246741","11.8318","0.0007","5.8252","0.0003","13.9008","0.0008","90","","113.879","0.007","90","","876.07","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0659","0.0581","","","0.1563","0.162","","","","","","1.068","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246742","11.2568","0.0008","5.7371","0.0003","22.5561","0.0018","90","","103.029","0.008","90","","1419.2","0.17","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1258","0.0809","","","0.1781","0.199","","","","","","1.096","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246743","8.4198","0.0011","5.8428","0.0007","8.6049","0.0009","90","","91.92","0.011","90","","423.08","0.09","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C18 H20 O6 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0352","0.0325","","","0.0822","0.0834","","","","","","1.082","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246744","7.737","0.0014","10.7279","0.0012","11.583","0.002","63.137","0.016","86.083","0.015","84.134","0.013","852.9","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0438","0.0405","","","0.1019","0.1045","","","","","","1.048","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246745","10.1357","0.0007","17.1919","0.0016","9.1265","0.0007","90","","90","","90","","1590.3","0.2","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0779","0.0567","","","0.1433","0.1544","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246746","5.7579","0.0008","19.399","0.003","27.176","0.003","90","","90.64","0.012","90","","3035.3","0.7","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H38 N2 O12 -","- C30 H38 N2 O12 -","- C120 H152 N8 O48 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1125","0.0819","","","0.1907","0.2203","","","","","","1.099","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246747","7.0457","0.0014","8.2146","0.0009","13.342","0.003","106.407","0.014","90.268","0.016","106.101","0.014","708.8","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N O5 -","- C13 H16 Cl N O5 -","- C26 H32 Cl2 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0782","0.0577","","","0.1343","0.1441","","","","","","1.059","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246748","10.4273","0.0003","9.0611","0.0003","30.1865","0.001","90","","90","","90","","2852.11","0.16","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C112 H152 N8 O40 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0714","0.0531","","","0.135","0.1453","","","","","","1.038","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246749","9.4241","0.0007","37.399","0.002","10.4169","0.0011","90","","90.501","0.008","90","","3671.3","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C144 H216 N8 O32 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0994","0.0611","","","0.141","0.1631","","","","","","1.065","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246750","5.9135","0.0003","18.547","0.0009","31.3947","0.0016","90","","94.307","0.005","90","","3433.6","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 F2 N2 O6 -","- C38 H40 F2 N2 O6 -","- C152 H160 F8 N8 O24 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1154","0.0707","","","0.1271","0.1414","","","","","","1.143","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246751","11.8613","0.0014","5.7602","0.0007","13.2858","0.0014","90","","110.458","0.012","90","","850.48","0.18","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 F N2 O5 -","- C16 H21 F N2 O5 -","- C32 H42 F2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1045","0.0642","","","0.1171","0.1298","","","","","","1.077","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246752","9.8806","0.0018","9.6156","0.0019","25.364","0.006","90","","90","","90","","2409.8","0.9","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C80 H136 N8 O48 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1073","0.0819","","","0.1632","0.1773","","","","","","1.151","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246753","7.406","0.005","8.459","0.002","12.281","0.007","102.89","0.04","101.66","0.06","103.44","0.04","702.8","0.7","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 F N O5 -","- C13 H16 F N O5 -","- C26 H32 F2 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1647","0.0706","","","0.1209","0.1526","","","","","","1.002","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246754","7.0962","0.0013","8.306","0.002","12.12","0.003","103.74","0.02","99.82","0.018","105.63","0.02","646.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C26 H34 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0715","0.059","","","0.1638","0.174","","","","","","1.068","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246755","16.6605","0.0013","9.1572","0.0005","11.4407","0.0008","90","","109.81","0.008","90","","1642.1","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C64 H56 Cl8 O24 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1053","0.0685","","","0.1778","0.1993","","","","","","1.062","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246756","12.591","0.002","8.7414","0.0012","12.6758","0.0014","90","","104.824","0.014","90","","1348.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F N O5 -","- C13 H16 F N O5 -","- C52 H64 F4 N4 O20 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.07","0.0526","","","0.119","0.1267","","","","","","1.131","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246767","8.5539","0.0004","11.9045","0.0005","14.8119","0.0007","95.587","0.001","101.681","0.001","107.046","0.001","1392.25","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cu2 N6 O14 -","- C22 H28 Cu2 N6 O14 -","- C44 H56 Cu4 N12 O28 -","2","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0754","0.0512","","","0.1317","0.1456","","","","","","1.052","","","","has coordinates,has disorder","284919","2023-07-05","10:08:41",""
"7246768","9.2018","0.0007","10.6192","0.0006","12.7553","0.0009","90","","93.716","0.002","90","","1243.77","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu3 N6 O12 -","- C22 H22 Cu3 N6 O12 -","- C44 H44 Cu6 N12 O24 -","2","0.5","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0783","0.0427","","","0.0866","0.0984","","","","","","1.03","","","","has coordinates","284919","2023-07-05","10:08:44",""
"7246769","10.1143","0.001","11.1349","0.0011","14.8056","0.0016","107.017","0.004","109.383","0.004","93.002","0.003","1483.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Cu4 N16 O28 -","- C54 H48 Cu4 N16 O28 -","- C54 H48 Cu4 N16 O28 -","1","0.5","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0647","0.0517","","","0.1376","0.1476","","","","","","1.017","","","","has coordinates","284919","2023-07-05","10:08:47",""
"7246770","7.5089","0.001","10.85","0.0012","26.819","0.004","90","","90.841","0.004","90","","2184.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu2 N6 O8 -","- C22 H16 Cu2 N6 O8 -","- C88 H64 Cu8 N24 O32 -","4","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.1705","0.0744","","","0.1278","0.1598","","","","","","1.029","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246771","13.8496","0.0003","12.6696","0.0003","17.0775","0.0003","90","","96.397","0.001","90","","2977.91","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cu2 N6 O16 -","- C22 H32 Cu2 N6 O16 -","- C88 H128 Cu8 N24 O64 -","4","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0486","0.0342","","","0.0792","0.0861","","","","","","1.024","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246772","10.5315","0.0003","15.0888","0.0005","21.2924","0.0007","74.155","0.001","86.294","0.001","81.889","0.001","3221.19","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H67 Cu4 N17 O17 -","- C55 H67 Cu4 N17 O17 -","- C110 H134 Cu8 N34 O34 -","2","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.1004","0.0629","","","0.1136","0.1271","","","","","","1.066","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246781","12.1553","0.0005","8.8076","0.0003","22.304","0.0007","90","","94.608","0.003","90","","2380.13","0.15","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28.33 N4 O8.16 -","- C23 H28.326 N4 O8.163 -","- C92 H113.304 N16 O32.652 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","","0.71073","MoKα","","0.0532","0.0425","","","0.1034","0.1115","","","","","","1.023","","","","has coordinates,has disorder","284924","2023-07-05","10:12:30",""
"7246782","7.0878","0.0006","7.5969","0.0007","18.9464","0.0014","91.152","0.007","98.566","0.007","103.763","0.008","978.19","0.15","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N6 O7 -","- C19 H22 N6 O7 -","- C38 H44 N12 O14 -","2","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.1172","0.0757","","","0.1892","0.2146","","","","","","1.055","","","","has coordinates","284924","2023-07-05","10:12:33",""
"7246783","7.0172","0.0003","28.2186","0.0013","10.7877","0.0005","90","","103.469","0.005","90","","2077.38","0.17","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O7 -","- C21 H24 N4 O7 -","- C84 H96 N16 O28 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","","0.71073","MoKα","","0.1104","0.0659","","","0.1345","0.1671","","","","","","1.04","","","","has coordinates","284924","2023-07-05","10:12:35",""
"7246784","25.4626","0.0013","9.2831","0.0004","19.554","0.0011","90","","111.922","0.006","90","","4287.8","0.4","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TMP-26HBA","","- C21 H24 N4 O7 -","- C21 H24 N4 O7 -","- C168 H192 N32 O56 -","8","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.1035","0.0603","","","0.1291","0.1585","","","","","","1.059","","","","has coordinates","284924","2023-07-05","10:12:36",""
"7246785","11.2636","0.001","20.7045","0.0013","12.0759","0.0011","90","","117.535","0.011","90","","2497.2","0.4","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TMP-GA-2MeOH","","- C23 H32 N4 O10 -","- C23 H32 N4 O10 -","- C92 H128 N16 O40 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.0862","0.056","","","0.1255","0.1473","","","","","","1.054","","","","has coordinates","284924","2023-07-05","10:12:36",""
"7246786","12.2681","0.0013","34.536","0.004","9.8498","0.0013","90","","100.837","0.005","90","","4098.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nilutamide Form IV","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C144 H120 F36 N36 O48 -","12","3","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.2044","0.0732","","","0.1279","0.175","","","","","","1.031","","","","has coordinates,has disorder","284913","2023-07-05","10:05:32",""
"7246787","7.1966","0.0005","16.2038","0.0012","22.6209","0.0015","90","","94.633","0.002","90","","2629.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Nilutamide- Form V","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C96 H80 F24 N24 O32 -","8","2","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.1122","0.044","","","0.0851","0.107","","","","","","1.001","","","","has coordinates","284913","2023-07-05","10:05:33",""
"7246788","10.2797","0.001","11.1802","0.0011","13.2382","0.0013","86.915","0.003","73.762","0.003","68.854","0.003","1360.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Nilutamide Hydrate (1:0.57)","","","- C12 H10.57 F3 N3 O4.29 -","- C12 H10.57 F3 N3 O4.285 -","- C48 H42.28 F12 N12 O17.14 -","4","2","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.0667","0.0395","","","0.0902","0.1021","","","","","","1.023","","","","has coordinates","284913","2023-07-05","10:05:33",""
"7246789","7.3886","0.0005","12.2118","0.0008","20.8355","0.0013","90","","98.845","0.003","90","","1857.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nilutamide-Adenine cocrystal","","","- C17 H15 F3 N8 O4 -","- C17 H15 F3 N8 O4 -","- C68 H60 F12 N32 O16 -","4","1","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.0751","0.0704","","","0.1671","0.1691","","","","","","1.167","","","","has coordinates,has disorder","284913","2023-07-05","10:05:33",""
"7246797","20.777","0.003","10.2704","0.0015","16.306","0.002","90","","105.52","0.005","90","","3352.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.03","0.0251","","","0.0664","0.0704","","","","","","1.089","","","","has coordinates","284922","2023-07-05","10:10:20",""
"7246798","20.72","0.003","10.2647","0.0014","16.365","0.002","90","","105.495","0.005","90","","3354.1","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0315","0.0256","","","0.0686","0.0735","","","","","","1.078","","","","has coordinates","284922","2023-07-05","10:10:22",""
"7246799","20.676","0.003","10.2639","0.0013","16.439","0.002","90","","105.457","0.004","90","","3362.4","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0365","0.0293","","","0.0769","0.0831","","","","","","1.074","","","","has coordinates","284922","2023-07-05","10:10:41",""
"7246800","20.634","0.002","10.2655","0.0012","16.499","0.0019","90","","105.415","0.004","90","","3369.1","0.6","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0494","0.0357","","","0.0917","0.1031","","","","","","1.07","","","","has coordinates,has disorder","284922","2023-07-05","10:10:44",""
"7246801","20.439","0.003","10.2687","0.0017","16.814","0.003","90","","105.349","0.006","90","","3403.1","1","396","2","400","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0517","0.0296","","","0.0859","0.1023","","","","","","1.051","","","","has coordinates,has disorder","284922","2023-07-05","10:10:44",""
"7246802","20.376","0.003","10.2653","0.0014","16.928","0.002","90","","105.342","0.005","90","","3414.6","0.8","450","2","450","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0664","0.0344","","","0.097","0.1194","","","","","","1.049","","","","has coordinates,has disorder","284922","2023-07-05","10:10:47",""
"7246803","20.504","0.003","10.2634","0.0013","16.711","0.002","90","","105.36","0.005","90","","3391.1","0.8","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18.002 H12.002 Co N2 O4 -","- C144.016 H96.016 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.056","0.0317","","","0.0897","0.1079","","","","","","1.054","","","","has coordinates,has disorder","284922","2023-07-05","10:10:50",""
"7246804","20.57","0.002","10.2665","0.0012","16.5997","0.0018","90","","105.387","0.004","90","","3379.9","0.6","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18.002 H12.002 Co N2 O4 -","- C144.016 H96.016 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0561","0.0331","","","0.0943","0.1105","","","","","","1.087","","","","has coordinates,has disorder","284922","2023-07-05","10:10:53",""
"7246805","5.355","0.003","8.831","0.003","11.415","0.004","90","","90.79","0.03","90","","539.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C16 H22 B2 F8 N4 O4 -","2","1","","Wojtaś, Maciej; Bednarchuk, Tamara J.; Bdikin, Igor","New hybrid: [H-β-(4-pyridyl)-Ala-OH] tetrafluoroborate – crystal structure and strong piezoelectricity","CrystEngComm","2023","25","25","3609","3617","10.1039/D3CE00308F","","","0.71073","MoKα","","0.0504","0.0447","","","0.1118","0.1154","","","","","","1.052","","","","has coordinates","284920","2023-07-05","10:09:01",""
"7246806","7.7358","0.0005","14.8013","0.0009","20.4291","0.0012","104.624","0.005","95.034","0.005","94.905","0.005","2240.5","0.2","129","2","129","2","","","","","","","","5","P -1","-P 1","2","Name eingeben","EDOT-Amide-TPA","","- C50 H48 N4 O9 S2 -","- C50 H48 N4 O9 S2 -","- C100 H96 N8 O18 S4 -","2","1","","Wolf, Florian; Sirtl, Maximilian T.; Klenk, Sebastian; Wurzenberger, Maximilian H. H.; Armer, Melina; Dörflinger, Patrick; Ganswindt, Patrick; Guntermann, Roman; Dyakonov, Vladimir; Bein, Thomas","Behind the scenes: insights into the structural properties of amide-based hole-transporting materials for lead-free perovskite solar cells","CrystEngComm","2023","25","21","3142","3149","10.1039/D2CE01512A","","x-ray","0.71073","MoKα","","0.1323","0.0627","","","0.0921","0.1162","","","","","","0.992","","","","has coordinates","284275","2023-06-05","04:28:37",""
"7246816","10.8178","0.0003","10.8178","0.0003","33.0213","0.0013","90","","90","","120","","3346.59","0.19","250","0.3","250","0.3","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0538","0.0484","","","0.1133","0.1166","","","","","","1.086","","","","has coordinates,has disorder","284916","2023-07-05","10:07:16",""
"7246817","10.7307","0.0002","10.7307","0.0002","31.9228","0.0009","90","","90","","120","","3183.37","0.12","80.4","0.12","80.4","0.12","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0333","0.0302","","","0.0594","0.0604","","","","","","1.135","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246818","11.7873","0.0013","10.8372","0.0006","21.595","0.003","90.927","0.007","131.808","0.015","89.563","0.007","2055.9","0.6","80.7","0.7","80.7","0.7","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C48 H96 B4 F16 Fe1.3 N48 Ru0.7 -","2","1","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.1539","0.0753","","","0.141","0.1617","","","","","","0.903","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246819","21.411","0.002","16.5319","0.0015","13.6853","0.0013","90","","105.095","0.001","90","","4677","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd3 N4 O31 -","- C36 H36 Cd3 N4 O31 -","- C144 H144 Cd12 N16 O124 -","4","0.5","","Ning, Shigang; Yan, Bingcheng; Wu, Junrong; Chen, Sen; Chen, Weipeng; Tian, Hongju; Zhang, Shaowei","A stable 2D luminescent metal–organic framework as a highly sensitive sensor for Fe3+ and Cr2O72−/CrO42− in water","CrystEngComm","2023","25","24","3539","3547","10.1039/D3CE00370A","","","0.71073","MoKα","","0.0575","0.0413","","","0.1013","0.1129","","","","","","1.026","","","","has coordinates","284912","2023-07-05","10:05:19",""
"7246822","11.5055","0.0003","11.9465","0.0003","11.9621","0.0003","63.454","0.001","78.323","0.001","62.154","0.001","1300.5","0.06","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C60 H46 Br2 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0687","0.0422","","","0.1081","0.1143","","","","","","0.963","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246823","11.4616","0.0006","11.9174","0.0006","11.9565","0.0006","64.094","0.002","78.975","0.002","62.088","0.002","1297.97","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23.0006 Br1.0006 N2 O4 S2 -","- C60 H46.0012 Br2.0012 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0816","0.0693","","","0.1928","0.2008","","","","","","1.115","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246824","20.1661","0.0011","11.754","0.0011","14.9001","0.0012","90","","131.943","0.005","90","","2627","0.4","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","0.5","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.1315","0.1082","","","0.2874","0.3122","","","","","","1.122","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246825","11.526","0.001","11.806","0.0011","12.2903","0.0011","63.453","0.004","78.22","0.004","61.19","0.003","1310.8","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23.0003 Br1.0003 N2 O4 S2 -","- C60 H46.0006 Br2.0006 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.1635","0.1331","","","0.4123","0.4426","","","","","","1.913","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246826","9.6809","0.0003","8.4899","0.0003","31.9397","0.001","90","","96.48","0.001","90","","2608.35","0.15","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0325","0.0305","","","0.0754","0.0766","","","","","","1.053","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246827","11.5018","0.0005","11.936","0.0005","11.9547","0.0005","63.482","0.001","78.39","0.002","62.15","0.001","1298.39","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C60 H46 Br2 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0446","0.0387","","","0.1104","0.1143","","","","","","1.114","","","","has coordinates,has disorder","286089","2023-09-05","19:35:59",""
"7246828","14.1064","0.0007","23.6828","0.0012","17.4985","0.0009","90","","90","","90","","5845.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H63 N4 O12.5 -","- C45 H63 N4 O12.5 -","- C180 H252 N16 O50 -","4","2","","Xu, Yiming; Chen, Kui; Ju, Xiang; Wu, Bin; Li, Xiaoting; Ji, Lijun; Wu, Yanyang","The effect of solvent–crystal interaction on the morphology of a solvate of rifampicin","CrystEngComm","2023","25","25","3662","3673","10.1039/D3CE00300K","","","1.54178","CuKα","","0.0492","0.0462","","","0.1324","0.1363","","","","","","1.052","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246836","14.3393","0.0003","13.6235","0.0003","18.0779","0.0004","90","","105.504","0.002","90","","3403.04","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 N31 Nd2 O49 -","- C36 H68 N31 Nd2 O49 -","- C72 H136 N62 Nd4 O98 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0267","0.0228","","","0.0521","0.0535","","","","","","1.049","","","","has coordinates,has disorder","284923","2023-07-05","10:11:52",""
"7246837","14.3566","0.0004","13.5936","0.0004","18.0138","0.0005","90","","105.343","0.003","90","","3390.24","0.17","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 N31 O49 Sm2 -","- C36 H68 N31 O49 Sm2 -","- C72 H136 N62 O98 Sm4 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.03","0.0247","","","0.0569","0.0591","","","","","","1.051","","","","has coordinates,has disorder","284923","2023-07-05","10:11:55",""
"7246838","14.36","0.002","13.586","0.003","17.933","0.003","90","","105.395","0.002","90","","3373.1","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 Gd2 N31 O49 -","- C36 H68 Gd2 N31 O49 -","- C72 H136 Gd4 N62 O98 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.745","synchrotron","","0.032","0.0312","","","0.08","0.0806","","","","","","1.042","","","","has coordinates,has disorder","284923","2023-07-05","10:11:58",""
"7246839","25.7641","0.0004","25.7641","0.0004","31.6786","0.0006","90","","90","","120","","18210.7","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Dy2 N32 O63 -","- C36 H36 Dy2 N32 O62.9998 -","- C324 H324 Dy18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0331","0.0303","","","0.0874","0.0891","","","","","","1.068","","","","has coordinates,has disorder","284923","2023-07-05","10:12:01",""
"7246840","13.42009","0.00018","14.43599","0.00018","18.2561","0.0002","73.8067","0.0011","87.3433","0.0011","87.7224","0.0011","3391.5","0.07","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H69 Eu2 N31 O49 -","- C36 H69 Eu2 N31 O49 -","- C72 H138 Eu4 N62 O98 -","2","1","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0302","0.0248","","","0.0549","0.0564","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246841","13.386","0.003","14.4235","0.0013","18.1775","0.0013","73.769","0.002","87.34","0.004","87.608","0.005","3364.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H69 N31 O49 Tb2 -","- C36 H69 N31 O49 Tb2 -","- C72 H138 N62 O98 Tb4 -","2","1","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.745","synchrotron","","0.0387","0.0363","","","0.0994","0.1011","","","","","","1.067","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246842","25.8081","0.0006","25.8081","0.0006","31.7446","0.0009","90","","90","","120","","18311","0.8","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Er2 N32 O63 -","- C36 H36 Er2 N32 O62.9998 -","- C324 H324 Er18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0266","0.0254","","","0.0695","0.0704","","","","","","1.062","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246843","25.8703","0.0006","25.8703","0.0006","31.8766","0.0008","90","","90","","120","","18475.9","0.8","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Ho2 N32 O63 -","- C36 H36 Ho2 N32 O62.9978 -","- C324 H324 Ho18 N288 O566.98 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0346","0.0299","","","0.0858","0.0882","","","","","","1.058","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246844","25.7946","0.0004","25.7946","0.0004","31.7638","0.0006","90","","90","","120","","18302.9","0.5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 N32 O63 Yb2 -","- C36 H36 N32 O63.0018 Yb2 -","- C324 H324 N288 O567.016 Yb18 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.71073","MoKα","","0.0455","0.0334","","","0.0923","0.0963","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246861","11.1702","0.0001","12.6477","0.0001","23.5283","0.0003","90","","92.215","0.001","90","","3321.53","0.06","150","0.5","150","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Fe I N4 O2 -","- C33 H40 Cl2 Fe I N4 O2 -","- C132 H160 Cl8 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0592","0.0552","","","0.1516","0.1554","","","","","","1.068","","","","has coordinates","286084","2023-09-05","19:33:50",""
"7246862","11.387","0.0001","12.606","0.0001","23.8251","0.0002","90","","90.177","0.001","90","","3419.95","0.05","200","0.5","200","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Fe I N4 O2 -","- C33 H40 Cl2 Fe I N4 O2 -","- C132 H160 Cl8 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0584","0.0529","","","0.1417","0.1456","","","","","","1.116","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246863","11.47081","0.00014","12.93413","0.00016","23.8498","0.0003","90","","92.8489","0.0011","90","","3534.1","0.08","200","0.5","200","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0573","0.0528","","","0.1453","0.1499","","","","","","1.09","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246864","11.2214","0.0001","12.689","0.0001","23.7424","0.0002","90","","90.033","0.001","90","","3380.64","0.05","150","0.5","150","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Fe I N4 O3 -","- C35 H44 Fe I N4 O3 -","- C140 H176 Fe4 I4 N16 O12 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0474","0.0447","","","0.1203","0.1221","","","","","","1.093","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246865","11.37248","0.00011","13.01255","0.00013","23.3736","0.0002","90","","93.9098","0.0008","90","","3450.89","0.06","130","0.5","130","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0566","0.054","","","0.1429","0.1458","","","","","","1.04","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246866","11.38862","0.00017","13.0145","0.0002","23.4046","0.0004","90","","93.6869","0.0014","90","","3461.78","0.1","150","0.5","150","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0701","0.0663","","","0.1849","0.189","","","","","","1.056","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246867","11.54644","0.00013","13.04848","0.00016","23.9438","0.0003","90","","93.0092","0.001","90","","3602.48","0.08","295.9","","295.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.064","0.0552","","","0.1551","0.1632","","","","","","1.0275","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246868","7.3227","0.0009","8.995","0.0014","15.321","0.002","90","","103.442","0.006","90","","981.5","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cl N3 Se -","- C8 H10 Cl N3 Se -","- C32 H40 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0294","0.0265","","","0.0648","0.0689","","","","","","1.241","","","","has coordinates","284917","2023-07-05","10:07:32",""
"7246869","7.8986","0.0015","14.662","0.004","9.851","0.004","90","","111.161","0.015","90","","1063.9","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N5 O Se -","- C7 H10 Cl N5 O Se -","- C28 H40 Cl4 N20 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0455","0.0387","","","0.1028","0.1063","","","","","","1.053","","","","has coordinates","284917","2023-07-05","10:07:43",""
"7246870","6.9994","0.001","8.8877","0.001","20.694","0.005","90","","90","","90","","1287.3","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N3 O Se -","- C13 H12 Cl N3 O Se -","- C52 H48 Cl4 N12 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0383","0.0334","","","0.0836","0.0858","","","","","","1.015","","","","has coordinates","284917","2023-07-05","10:07:47",""
"7246871","5.3306","0.0007","14.043","0.004","16.798","0.002","90","","93.025","0.004","90","","1255.7","0.4","100","","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl N3 O2 Se -","- C10 H14 Cl N3 O2 Se -","- C40 H56 Cl4 N12 O8 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0396","0.0286","","","0.0576","0.0609","","","","","","1.025","","","","has coordinates","284917","2023-07-05","10:07:58",""
"7246872","11.922","0.004","6.546","0.003","14.62","0.005","90","","108.226","0.016","90","","1083.7","0.7","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C9 H11 Cl N4 Se -","- C9 H11 Cl N4 Se -","- C36 H44 Cl4 N16 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0481","0.0338","","","0.0786","0.0888","","","","","","1.027","","","","has coordinates","284917","2023-07-05","10:08:02",""
"7246873","6.8384","0.0015","9.403","0.002","10.236","0.002","67.561","0.009","74.848","0.01","70.534","0.011","566.7","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cl N3 O4 Se -","- C8 H10 Cl N3 O4 Se -","- C16 H20 Cl2 N6 O8 Se2 -","2","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0232","0.0212","","","0.0497","0.0504","","","","","","1.053","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246874","7.811","0.004","7.811","","23.699","0.008","90","","90","","90","","1445.9","0.9","300","","300","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H12 Cl N3 Se -","- C16 H12 Cl N3 Se -","- C64 H48 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0348","0.0331","","","0.0858","0.0866","","","","","","1.114","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246875","15.3881","0.0006","9.8662","0.0003","18.2499","0.0008","90","","105.566","0.001","90","","2669.11","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B N3 Se -","- C32 H30 B N3 Se -","- C128 H120 B4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.061","0.048","","","0.123","0.1296","","","","","","1.049","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246878","9.8173","0.0004","12.9566","0.0006","14.7156","0.0004","90","","101.124","0.002","90","","1836.64","0.12","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Ag B F4 N4 O4 -","- C18 H12 Ag B F4 N4 O4 -","- C72 H48 Ag4 B4 F16 N16 O16 -","4","0.5","","Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars","Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands","CrystEngComm","2023","25","27","3922","3930","10.1039/D3CE00417A","","","0.71073","MoKα","","0.035","0.0295","","","0.0671","0.0697","","","","","","1.115","","","","has coordinates","286095","2023-09-05","19:37:04",""
"7246879","10.048","0.0002","16.8535","0.0002","14.5843","0.0002","90","","98.505","0.002","90","","2442.6","0.07","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag B F4 N2 O -","- C10 H8 Ag B F4 N2 O -","- C80 H64 Ag8 B8 F32 N16 O8 -","8","1","","Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars","Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands","CrystEngComm","2023","25","27","3922","3930","10.1039/D3CE00417A","","x-ray","1.54184","CuKα","","0.0508","0.0462","","","0.1285","0.1329","","","","","","1.072","","","","has coordinates","286095","2023-09-05","19:37:05",""
"7246880","7.5657","0.0015","11.619","0.002","25.402","0.005","90","","90","","90","","2233","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0431","0.0404","","","0.1049","0.1072","","","","","","1.084","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246881","7.3489","0.0015","14.605","0.003","19.983","0.004","90","","90","","90","","2144.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0599","0.0416","","","0.0986","0.109","","","","","","1.05","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246882","6.2259","0.0012","7.1884","0.0014","23.607","0.005","90","","90","","90","","1056.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0376","0.0328","","","0.0752","0.0774","","","","","","1.062","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246883","6.8817","0.0014","8.3267","0.0017","10.789","0.002","83.96","0.03","76.71","0.03","70.02","0.03","565.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O5 -","- C10 H11 N3 O5 -","- C20 H22 N6 O10 -","2","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0592","0.0432","","","0.0978","0.1058","","","","","","1.031","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246884","10.812","0.002","18.958","0.004","7.114","0.0014","90","","116.03","0.03","90","","1310.3","0.6","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C56 H72 Co4 N8 O20 -","4","0.5","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Co-MOFs with 1D/2D network structure and highly enhanced electrocatalytic OER activity","CrystEngComm","2023","25","28","4058","4063","10.1039/D3CE00393K","","","0.63","synchrotron","","0.0518","0.0506","","","0.1546","0.1556","","","","","","1.188","","","","has coordinates","286088","2023-09-05","19:35:42",""
"7246885","9.655","0.0019","16.355","0.003","11.069","0.002","90","","110.97","0.03","90","","1632.1","0.6","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Co N2 O5 -","- C18 H14 Co N2 O5 -","- C72 H56 Co4 N8 O20 -","4","1","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Co-MOFs with 1D/2D network structure and highly enhanced electrocatalytic OER activity","CrystEngComm","2023","25","28","4058","4063","10.1039/D3CE00393K","","","0.63","synchrotron","","0.0529","0.0491","","","0.1533","0.1563","","","","","","1.191","","","","has coordinates","286088","2023-09-05","19:35:43",""
"7246886","12.0754","0.0003","10.5591","0.0003","8.8651","0.0003","90","","90","","90","","1130.35","0.06","150","2","150","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C6 N16 -","- C6 N16 -","- C24 N64 -","4","1","","Leškovskis, Kristaps; Mishnev, Anatoly; Novosjolova, Irina; Krumm, Burkhard; Klapötke, Thomas M.; Turks, Māris","2,4,6,8-Tetraazidopyrimido[5,4-d]pyrimidine: a novel energetic binary compound","CrystEngComm","2023","25","27","3866","3869","10.1039/D3CE00563A","","","1.54184","CuKα","","0.0444","0.0409","","","0.0991","0.1015","","","","","","1.064","","","","has coordinates","286094","2023-09-05","19:36:53",""
"7246887","17.0985","0.0006","17.0985","0.0006","42.1074","0.0017","90","","90","","90","","12310.5","0.8","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H28 Cl2 Co N4 -","- C26 H28 Cl2 Co N4 -","- C416 H448 Cl32 Co16 N64 -","16","1","","Tella, Adedibu C.; Owalude, Samson O.; Ameen, Olanrewaju A.; Clayton, Hadley S.; Yusuph, Quadrat; Dembaremba, Tendai O.; Hosten, Eric C.; Ogunlaja, Adeniyi S.","Synthesis, crystal structures and DFT studies of Co(ii) and Zn(ii) coordination polymers of terephthalate and 4,4′-trimethylenedipyridyl ligands for removal of dibenzothiophene from a model fuel oil","CrystEngComm","2023","25","28","3998","4010","10.1039/D3CE00236E","","","0.71073","MoKα","","0.0979","0.0725","","","0.2139","0.2397","","","","","","1.061","","","","has coordinates","286086","2023-09-05","19:35:15",""
"7246888","21.0837","0.0009","11.4677","0.0005","19.6425","0.0013","90","","119.297","0.002","90","","4141.7","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O11 Zn2 -","- C42 H42 N4 O11 Zn2 -","- C168 H168 N16 O44 Zn8 -","4","0.5","","Tella, Adedibu C.; Owalude, Samson O.; Ameen, Olanrewaju A.; Clayton, Hadley S.; Yusuph, Quadrat; Dembaremba, Tendai O.; Hosten, Eric C.; Ogunlaja, Adeniyi S.","Synthesis, crystal structures and DFT studies of Co(ii) and Zn(ii) coordination polymers of terephthalate and 4,4′-trimethylenedipyridyl ligands for removal of dibenzothiophene from a model fuel oil","CrystEngComm","2023","25","28","3998","4010","10.1039/D3CE00236E","","","0.71073","MoKα","","0.0445","0.0382","","","0.0962","0.1002","","","","","","1.06","","","","has coordinates,has disorder","286086","2023-09-05","19:35:26",""
"7246889","7.1842","0.0003","14.4765","0.0005","15.9555","0.0004","68.871","0.003","78.281","0.003","79.368","0.003","1504.29","0.1","297.24","0.1","297.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cl N10 O7 -","- C28 H29 Cl N10 O7 -","- C56 H58 Cl2 N20 O14 -","2","1","","Wang, Zhi-Qing; Dai, Xia-Lin; Gu, Dai-Lin; Wu, Chao; Lu, Tong-Bu; Long, Xiang-Tian; Chen, Jia-Mei","Cocrystallization of lenvatinib and temozolomide to improve the performance in terms of stability, dissolution, and tabletability","CrystEngComm","2023","25","29","4189","4198","10.1039/D3CE00473B","","","1.54184","CuKα","","0.0707","0.05","","","0.1317","0.1482","","","","","","1.099","","","","has coordinates,has disorder","286079","2023-09-05","19:31:54",""
"7246890","12.0309","0.0008","13.9974","0.0009","14.7291","0.0009","103.276","0.001","106.729","0.001","110.009","0.001","2078.4","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Wang, Jinling; Liu, Xiaohui; Chang, Zhihan; Xu, Na; Wang, Xiuli","Two new manganese-based phosphomolybdate compounds as electrochemical sensors for the highly sensitive trace determination of heavy metal Cr(vi) ions","CrystEngComm","2023","25","27","3953","3958","10.1039/D3CE00517H","","x-ray","0.71073","MoKα","K-L~3~","0.0444","0.0411","","","0.1139","0.1163","","","","","","1.074","","","","has coordinates,has disorder","286096","2023-09-05","19:37:13",""
"7246891","11.944","0.0003","13.794","0.0004","14.6825","0.0004","102.637","0.001","106","","110.82","","2033.94","0.1","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Wang, Jinling; Liu, Xiaohui; Chang, Zhihan; Xu, Na; Wang, Xiuli","Two new manganese-based phosphomolybdate compounds as electrochemical sensors for the highly sensitive trace determination of heavy metal Cr(vi) ions","CrystEngComm","2023","25","27","3953","3958","10.1039/D3CE00517H","","x-ray","0.71073","MoKα","K-L~3~","0.0397","0.0354","","","0.1025","0.1061","","","","","","1.033","","","","has coordinates,has disorder","286096","2023-09-05","19:37:14",""
"7246892","11.976","0.004","9.343","0.003","21.923","0.007","90","","97.91","0.005","90","","2429.7","1.4","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H29 Cl N4 O6 Zn -","- C22 H16 Cl N3 O3 Zn -","- C88 H64 Cl4 N12 O12 Zn4 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.056","0.0468","","","0.1002","0.1034","","","","","","1.0203","","","","has coordinates","286082","2023-09-05","19:32:43",""
"7246893","12.8121","0.0019","21.163","0.003","15.335","0.002","90","","113.952","0.002","90","","3799.9","0.9","296","2","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C78 H79 Cl1.5 N13 O16.7 Zn3 -","- C78 H79 Cl1.5 N13 O16.702 Zn3 -","- C156 H158 Cl3 N26 O33.404 Zn6 -","2","0.5","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0808","0.0585","","","0.1562","0.1703","","","","","","1.023","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246894","15.521","0.007","21.92","0.011","23.657","0.011","90","","101.131","0.006","90","","7897","6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77.78 H76.08 B F4 N13.89 O18.94 Zn3 -","- C77.7736 H76.0746 B F4 N13.8884 O18.9434 Zn3 -","- C311.094 H304.298 B4 F16 N55.5536 O75.7736 Zn12 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0945","0.0539","","","0.1359","0.1551","","","","","","1.017","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246895","15.5019","0.0012","21.9566","0.0017","23.6652","0.0018","90","","101.326","0.001","90","","7898","1.1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H78 Cl N14 O23.11 Zn3 -","- C78 H78 Cl N14 O23.098 Zn3 -","- C312 H312 Cl4 N56 O92.392 Zn12 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0864","0.06","","","0.1524","0.1673","","","","","","1.046","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246896","16.2967","0.0005","6.5799","0.0003","11.8991","0.0005","90","","126.545","0.003","90","","1025.08","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H8 B9 I N2 -","- C H8 B9 I N2 -","- C4 H32 B36 I4 N8 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.041","0.0345","","","0.0834","0.087","","","","","","1.083","","","","has coordinates","286112","2023-09-05","19:41:31",""
"7246897","6.4442","0.0005","8.1244","0.0007","10.6645","0.0008","85.078","0.005","82.012","0.005","74.701","0.003","532.62","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H15 B9 S -","- C3 H15 B9 S -","- C6 H30 B18 S2 -","2","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.1233","0.0995","","","0.288","0.3007","","","","","","1.234","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246898","9.9849","0.0002","14.325","0.0003","10.8831","0.0002","90","","102.415","0.001","90","","1520.25","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 B9 Cl2 N -","- C7 H16 B9 Cl2 N -","- C28 H64 B36 Cl8 N4 -","4","2","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0591","0.0482","","","0.1184","0.125","","","","","","1.04","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246899","10.1476","0.0004","10.8518","0.0005","13.7392","0.0006","90","","130.476","0.003","90","","1150.87","0.1","195","2","195","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 B9 N -","- C6 H14 B9 N -","- C24 H56 B36 N4 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0662","0.0564","","","0.1502","0.1613","","","","","","1.024","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246900","9.0602","0.0001","16.8803","0.0001","22.9672","0.0002","104.577","0.005","92.623","0.004","90.179","0.005","3395.56","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H110 B18 Br2 N10 -","- C46 H110 B18 Br2 N10 -","- C92 H220 B36 Br4 N20 -","2","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0754","0.0579","","","0.1417","0.1563","","","","","","1.022","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246901","25.773","0.0019","7.57","0.0003","19.9962","0.0011","90","","111.128","0.008","90","","3639","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C128 H144 O16 P8 S16 Tl8 -","8","1","","Firdoos, Tahira; Kumar, Pretam; Sharma, Nipunn; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds","CrystEngComm","2023","25","26","3777","3789","10.1039/D3CE00396E","","x-ray","0.71073","MoKα","","0.0464","0.0378","","","0.0996","0.1096","","","","","","0.828","","","","has coordinates","286111","2023-09-05","19:41:18",""
"7246902","10.5578","0.0007","8.6342","0.0004","19.878","0.0013","90","","101.343","0.006","90","","1776.65","0.19","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C64 H72 O8 P4 S8 Tl4 -","4","1","","Firdoos, Tahira; Kumar, Pretam; Sharma, Nipunn; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds","CrystEngComm","2023","25","26","3777","3789","10.1039/D3CE00396E","","x-ray","0.71073","MoKα","","0.0926","0.0576","","","0.126","0.1577","","","","","","0.99","","","","has coordinates","286111","2023-09-05","19:41:21",""
"7246903","11.6052","0.0007","15.1797","0.001","12.7681","0.0013","90","","116.773","0.003","90","","2008.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N2 O13 U -","- C12 H22 N2 O13 U -","- C48 H88 N8 O52 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0204","0.0187","","","0.0454","0.0464","","","","","","1.049","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246904","7.382","0.0005","23.3063","0.0018","8.5496","0.0007","90","","113.584","0.002","90","","1348.07","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O9 P U -","- C9 H13 O9 P U -","- C36 H52 O36 P4 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0233","0.0224","","","0.0512","0.0516","","","","","","1.096","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246905","11.6822","0.0006","15.3912","0.0008","11.7959","0.0005","90","","115.56","0.0016","90","","1913.37","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O21 U2 -","- C22 H38 N8 O21 U2 -","- C44 H76 N16 O42 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0295","0.0292","","","0.0747","0.075","","","","","","1.04","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246906","12.4106","0.0007","17.241","0.0009","23.5189","0.0014","90","","102.782","0.002","90","","4907.7","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 N6 Ni O23 U2 -","- C40 H44 N6 Ni O23 U2 -","- C160 H176 N24 Ni4 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0373","0.0364","","","0.0927","0.0934","","","","","","1.069","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246907","11.3872","0.0004","11.5224","0.0004","12.7894","0.0005","114.797","0.0013","98.3735","0.0014","110.77","0.0013","1335.95","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 Cu N6 O22 U2 -","- C36 H64 Cu N6 O22 U2 -","- C36 H64 Cu N6 O22 U2 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0206","0.0186","","","0.0409","0.0417","","","","","","1.074","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246908","12.4847","0.0007","17.0888","0.0011","23.5455","0.0016","90","","103.131","0.002","90","","4892.1","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 Cu N6 O23 U2 -","- C40 H44 Cu N6 O23 U2 -","- C160 H176 Cu4 N24 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0296","0.0292","","","0.0704","0.0706","","","","","","1.044","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246909","11.4827","0.0004","14.2168","0.0005","17.799","0.0006","90","","92.2934","0.0015","90","","2903.31","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N O10 P U -","- C29 H30 N O10 P U -","- C116 H120 N4 O40 P4 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0238","0.0206","","","0.0527","0.0554","","","","","","1.054","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246910","6.3646","0.0004","6.3135","0.0003","8.8975","0.0004","90","","110.334","0.006","90","","335.25","0.03","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","sodium vanadyl phosphate carbonate","trisodium vanadyl phosphate carbonate","","- C Na3 O8 P V -","- C Na3 O8 P V -","- C2 Na6 O16 P2 V2 -","2","0.5","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergey; Volkov, Anatoly; Dimitrova, Olga","Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure","CrystEngComm","2023","25","28","4024","4032","10.1039/D3CE00323J","","","0.71073","MoKα","","0.0214","0.0204","","","0.0464","0.0468","","","","","","1.266","","","","has coordinates","286091","2023-09-05","19:36:15",""
"7246911","9.641","0.002","9.739","0.002","11.262","0.002","97.39","0.02","101.51","0.02","113.55","0.02","924","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O10 P3 -","- C10 H20 N4 O10 P3 -","- C20 H40 N8 O20 P6 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0824","0.0426","","","0.1116","0.1255","","","","","","1.085","","","","has coordinates,has disorder","286113","2023-09-05","19:41:43",""
"7246912","7.327","0.002","8.018","0.002","9.174","0.003","113.48","0.03","106.06","0.03","90.3","0.02","470.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N2 O6 P2 -","- C5 H10 N2 O6 P2 -","- C10 H20 N4 O12 P4 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0577","0.0536","","","0.1516","0.1579","","","","","","1.07","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246913","8.001","0.002","8.69","0.002","13.612","0.003","79.88","0.02","73.43","0.02","84.7","0.02","892.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 N8 O18 P6 -","- C20 H36 N8 O18 P6 -","- C20 H36 N8 O18 P6 -","1","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.0712","0.0666","","","0.194","0.1974","","","","","","1.118","","","","has coordinates,has disorder","286113","2023-09-05","19:41:43",""
"7246914","12.014","0.002","13.556","0.002","12.259","0.002","90","","90","","90","","1996.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H22 N6 O6 P2 -","- C15 H22 N6 O6 P2 -","- C60 H88 N24 O24 P8 -","4","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.029","0.0284","","","0.0751","0.0755","","","","","","1.046","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246915","12.0257","0.0013","14.6592","0.0014","12.1537","0.0011","90","","106.49","0.02","90","","2054.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N12 O14 P4 -","- C30 H48 N12 O14 P4 -","- C60 H96 N24 O28 P8 -","2","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.0258","0.0253","","","0.0686","0.069","","","","","","1.056","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246916","10.6024","0.0014","13.234","0.002","13.848","0.002","73.1","0.02","81.56","0.02","81.96","0.02","1829.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O10 P3 -","- C10 H20 N4 O10 P3 -","- C40 H80 N16 O40 P12 -","4","2","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0911","0.0455","","","0.1134","0.1282","","","","","","1.063","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246917","7.9325","0.0003","7.8534","0.0004","15.8599","0.0008","90","","99.753","0.002","90","","973.75","0.08","193","","193","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","0.71073","MoKα","","0.0853","0.074","","","0.2023","0.2152","","","","","","1.07","","","","has coordinates","286098","2023-09-05","19:37:35",""
"7246918","7.9376","0.0008","7.9412","0.0008","15.8417","0.0018","93.49","0.009","100.212","0.008","92.313","0.008","979.59","0.18","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","1.54178","CuKα","","0.1449","0.105","","","0.291","0.3339","","","","","","1.111","","","","has coordinates,has disorder","286098","2023-09-05","19:37:35",""
"7246919","18.6359","0.0006","11.9828","0.0006","17.9652","0.0007","90","","103.225","0.003","90","","3905.4","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cl4 Cu2 N16 O12 S8 -","- C70 H64 Cl4 Cu2 N16 O12 S8 -","- C140 H128 Cl8 Cu4 N32 O24 S16 -","2","0.25","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.0641","0.0437","","","0.1027","0.1122","","","","","","1.042","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246920","8.0501","0.0001","12.563","0.0002","12.6704","0.0002","68.686","0.001","78.062","0.001","89.674","0.001","1164.54","0.03","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Ag F6 N4 P S2 -","- C19 H18 Ag F6 N4 P S2 -","- C38 H36 Ag2 F12 N8 P2 S4 -","2","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.0358","0.0293","","","0.0678","0.0705","","","","","","1.039","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246921","7.9319","0.0003","23.068","0.001","11.7359","0.0005","90","","91.872","0.002","90","","2146.21","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Ag Cl2 N4 O3 S2 -","- C18 H17 Ag Cl2 N4 O3 S2 -","- C72 H68 Ag4 Cl8 N16 O12 S8 -","4","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.1231","0.1014","","","0.2508","0.2663","","","","","","1.029","","","","has coordinates","286090","2023-09-05","19:36:08",""
"7246922","9.8728","0.0008","10.2889","0.0009","10.9536","0.0009","80.721","0.005","87.251","0.005","73.377","0.004","1052.22","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H17 Ag Cl3 N3 O4 S2 -","- C18 H17 Ag Cl3 N3 O4 S2 -","- C36 H34 Ag2 Cl6 N6 O8 S4 -","2","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.1505","0.1429","","","0.4537","0.4768","","","","","","1.009","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246923","13.2718","0.0001","9.2515","0.0001","27.958","0.0002","90","","90.371","0.001","90","","3432.72","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","monoclinic","","- C40 H43 N3 O7 Zn -","- C40 H43 N3 O7 Zn -","- C160 H172 N12 O28 Zn4 -","4","1","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","x-ray","1.54178","CuKα","","0.0295","0.0294","","","0.0793","0.0793","","","","","","1.063","","","","has coordinates","286093","2023-09-05","19:36:45",""
"7246924","17.1162","0.001","6.8868","0.0004","25.8217","0.0015","90","","98.038","0.002","90","","3013.9","0.3","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","monoclinic","","- C34 H30 N2 O6 Zn -","- C34 H30 N2 O6 Zn -","- C136 H120 N8 O24 Zn4 -","4","0.5","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","","0.71073","MoKα","","0.045","0.0356","","","0.0866","0.0907","","","","","","1.087","","","","has coordinates","286093","2023-09-05","19:36:46",""
"7246925","16.874","0.003","6.9253","0.0011","28.607","0.005","90","","91.96","0.01","90","","3341","1","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N2 O6 Zn -","- C38 H36 N2 O6 Zn -","- C152 H144 N8 O24 Zn4 -","4","0.5","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","","0.71073","MoKα","","0.0716","0.0609","","","0.1728","0.1815","","","","","","1.109","","","","has coordinates","286093","2023-09-05","19:36:46",""
"7246926","9.867","0.0005","12.0062","0.0007","13.1276","0.0006","115.459","0.005","93.033","0.004","91.808","0.004","1399.63","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0398","0.0378","","","0.1062","0.1086","","","","","","1.063","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246927","9.8663","0.0003","11.9838","0.0006","13.1236","0.0005","115.559","0.004","93.042","0.003","91.661","0.003","1395.54","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0346","0.0323","","","0.0934","0.097","","","","","","1.039","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246928","12.952","0.0009","13.4792","0.001","15.8481","0.0012","110.169","0.002","113.276","0.002","90.899","0.003","2348.4","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H33.52 Cl6 Mn N2 -","- C14 H34 Cl6 Mn N2 -","- C56 H136 Cl24 Mn4 N8 -","4","2","","Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang","Dielectric and optical properties of a new organic–inorganic hybrid phase transition material","CrystEngComm","2023","25","30","4284","4289","10.1039/D3CE00454F","","x-ray","0.71073","MoKα","","0.1144","0.078","","","0.1954","0.2177","","","","","","1.052","","","","has coordinates,has disorder","286116","2023-09-05","19:42:37",""
"7246929","9.2031","0.0009","9.2031","0.0009","14.662","0.002","90","","90","","90","","1241.8","0.2","340","","340","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C14 H34 Cl6 Mn N2 -","- C14 H34 Cl6 Mn N -","- C28 H68 Cl12 Mn2 N2 -","2","0.125","","Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang","Dielectric and optical properties of a new organic–inorganic hybrid phase transition material","CrystEngComm","2023","25","30","4284","4289","10.1039/D3CE00454F","","x-ray","0.71073","MoKα","","0.1212","0.0898","","","0.3186","0.3564","","","","","","1.4","","","","has coordinates,has disorder","286116","2023-09-05","19:42:38",""
"7246930","37.455","0.0014","36.5541","0.0014","11.0255","0.0002","90","","90","","90","","15095.4","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C112 H84 Mn4 N16 O26 -","- C112 H84 Mn4 N16 O26 -","- C448 H336 Mn16 N64 O104 -","4","0.5","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.135","0.0883","","","0.2529","0.2972","","","","","","0.994","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246931","11.4539","0.0013","25.379","0.002","10.1811","0.0007","90","","99.143","0.009","90","","2921.9","0.5","104","6","104","6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Mn N4 O4 -","- C28 H16 Mn N4 O4 -","- C112 H64 Mn4 N16 O16 -","4","1","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.1517","0.0925","","","0.1925","0.2189","","","","","","1.042","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246932","33.5391","0.0018","13.3893","0.0012","12.2796","0.0006","90","","98.383","0.005","90","","5455.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 N2 O11 Zn2 -","- C50 H34 N2 O11 Zn2 -","- C200 H136 N8 O44 Zn8 -","4","1","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","","1.54184","CuKα","","0.2494","0.1876","","","0.4432","0.4805","","","","","","1.199","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246933","9.5646","0.0011","3.7993","0.0005","13.5636","0.0017","90","","106.084","0.013","90","","473.59","0.11","113.15","","113.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0722","0.0637","","","0.1799","0.1842","","","","","","1.049","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246934","7.1188","0.0014","18.663","0.004","7.959","0.0016","90","","106.09","0.03","90","","1016","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-Dicarbomethoxyaniline;3-benzenedicarboxylicacid,5-amino-dimethylester;5-Amino-1,3-isophthalic","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0752","0.053","","","0.1588","0.1765","","","","","","1.008","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246935","9.3469","0.0004","9.976","0.0004","17.9902","0.0008","79.743","0.001","86.729","0.001","67.295","0.001","1522.64","0.11","189","2","189","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N2 O11.5 Zn2 -","- C29 H29 N2 O11.5 Zn2 -","- C58 H58 N4 O23 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","0.71073","MoKα","","0.0529","0.0463","","","0.1282","0.1335","","","","","","1.027","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246936","9.1845","0.0003","9.9874","0.0003","18.5249","0.0005","79.721","0.002","86.064","0.002","68.155","0.003","1551.94","0.09","233","2","233.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27.8 N2 O10.9 Zn2 -","- C29 H27.8 N2 O10.9 Zn2 -","- C58 H55.6 N4 O21.8 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.0984","0.077","","","0.2216","0.2374","","","","","","1.052","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246937","9.351","0.0002","9.9976","0.0002","18.0428","0.0004","80.1","0.002","87.289","0.002","67.583","0.002","1535.78","0.06","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29.8 N2 O11.9 Zn2 -","- C29 H29.8 N2 O11.9 Zn2 -","- C58 H59.6 N4 O23.8 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.0579","0.0534","","","0.1397","0.1435","","","","","","1.029","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246938","8.717","0.001","9.9589","0.0012","19.6815","0.0014","78.835","0.009","84.141","0.009","69.71","0.011","1571.1","0.3","233","2","233.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27.7 N2 O10.85 Zn2 -","- C29 H27.7 N2 O10.85 Zn2 -","- C58 H55.4 N4 O21.7 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.1166","0.089","","","0.2524","0.3068","","","","","","1.175","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246949","14.312","0.016","8.755","0.01","25.39","0.03","90","","95.79","0.02","90","","3165","6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Ag N16 -","- C30 H19 Ag N16 -","- C120 H76 Ag4 N64 -","4","1","","Kang, Hai-Peng; Zhou, Han-Chen; Tang, Xiong; Liu, Chang; Li, Yong-Hua; Zhang, Hao-Zhe; Su, Jian; Ferbinteanu, Marilena; Wu, Hua-Yu; Wang, Shi","An AIE-active tetraphenylethene functionalized silver-tetrazolate coordination polymer for selective fluorescence sensing of explosives","CrystEngComm","2023","25","29","4231","4237","10.1039/D3CE00598D","","","0.71073","MoKα","","0.1042","0.0514","","","0.1132","0.1477","","","","","","1.05","","","","has coordinates","286083","2023-09-05","19:32:51",""
"7246974","4.9864","0.0005","10.0378","0.0011","10.0982","0.0011","72.982","0.005","83.424","0.006","79.174","0.005","473.75","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","Cd(PyImPr)-kgd-beta","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","1","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0815","0.0779","","","0.2047","0.2172","","","","","","1.111","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246975","4.9218","0.0002","18.328","0.0007","10.9159","0.0005","90","","97.893","0.002","90","","975.36","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(PyImPr)2-hlz-beta","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C40 H28 Cd2 N8 O16 -","2","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0773","0.0757","","","0.1779","0.1785","","","","","","1.323","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246976","5.0968","0.0001","18.2442","0.0003","15.0256","0.0003","90","","96.058","0.001","90","","1389.38","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(PyImPr)2-hlz-alpha","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium bis(dimethylformamide)]","","- C26 H28 Cd N6 O10 -","- C26 H28 Cd N6 O10 -","- C52 H56 Cd2 N12 O20 -","2","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.032","0.031","","","0.079","0.0798","","","","","","1.127","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246977","5.0173","0.0001","9.6508","0.0003","11.4756","0.0003","82.357","0.001","79.568","0.001","80.006","0.001","535.21","0.02","100","","100","","","","","","","","","5","P -1","-P 1","2","Cd(PyImPr)2-kgd-open","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","1","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0409","0.0407","","","0.1063","0.1082","","","","","","1.054","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246978","25.238","0.005","4.988","0.001","25.694","0.005","90","","116.13","0.03","90","","2904","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35.28 N5 O10.14 -","- C29 H35 N5 O10.1415 -","- C116 H140 N20 O40.566 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.6199","Synchrotron","","0.1584","0.0788","","","0.1902","0.2322","","","","","","1.015","","","","has coordinates,has disorder","286100","2023-09-05","19:38:03",""
"7246979","9.475","0.002","11.269","0.002","17.688","0.004","81.39","0.03","79.74","0.03","78.24","0.03","1806.8","0.7","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H43 F1.5 N5 Na0.5 O13 -","- C30 H37 F1.5 N5 Na0.5 O13 -","- C60 H74 F3 N10 Na O26 -","2","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1253","0.0856","","","0.2237","0.2516","","","","","","1.007","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7246980","31.544","0.006","9.474","0.002","15.431","0.003","90","","92.44","0.03","90","","4607.3","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H51 F3 N7 O16.25 -","- C36 H42 F3 N7 O16.5 -","- C144 H168 F12 N28 O66 -","4","1","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.7","Synchrotron","","0.2494","0.133","","","0.2853","0.3484","","","","","","1.072","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7246981","9.724","0.002","33.662","0.007","9.966","0.002","90","","90.87","0.03","90","","3261.8","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N5 O11 -","- C31 H45 N5 O11 -","- C124 H180 N20 O44 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1172","0.0645","","","0.1616","0.1898","","","","","","1.006","","","","has coordinates","286100","2023-09-05","19:38:04",""
"7246982","9.5155","0.0005","20.4042","0.001","27.4702","0.0015","90","","97.945","0.002","90","","5282.3","0.5","251","","251","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H48 Co N12 O6 -","- C63 H48 Co N12 O6 -","- C252 H192 Co4 N48 O24 -","4","1","","Luo, Rong; Xu, Cun-Gang; Yu, Hai-Jun; Wu, Rui-Xue; Lu, Peng; Fan, Yu-Hua; Shao, Feng","A novel Co(ii)-based MOF with selective fluorescence as a turn-on sensor for biomarker methylmalonic acid","CrystEngComm","2023","25","29","4120","4125","10.1039/D3CE00576C","","","0.71073","MoKα","","0.0834","0.045","","","0.1039","0.1278","","","","","","1.02","","","","has coordinates","286085","2023-09-05","19:34:57",""
"7246996","8.07743","0.0001","8.07743","0.0001","23.4262","0.0003","90","","90","","120","","1323.67","0.03","293","2","293","2","","","","","","","no","4","P 3 1 c","P 3 -2c","159","iodate","Cesium Tantale Iodate","","- Cs3 I8 O24 Ta -","- Cs3 I8 O24 Ta -","- Cs6 I16 O48 Ta2 -","2","0.333333","","Belokoneva, Elena L.; Reutova, Olga V.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Victor V.; Vigasina, Marina F.","New layered nonlinear optical iodate Cs3Ta(IO3)8: topology-symmetry analysis and structure prediction","CrystEngComm","2023","25","30","4364","4369","10.1039/D3CE00461A","","","0.71073","MoKα","","0.0384","0.0361","","","0.0873","0.089","","","","","","1.133","","","","has coordinates","286115","2023-09-05","19:42:24",""
"7247001","8.7734","0.0003","10.412","0.0003","14.03","0.0005","90","","97.502","0.001","90","","1270.65","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","thiadiazol","'2,3-diphenyl-1,3,4-thiadiazol-3-ium-5-thiolate'","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C56 H40 N8 S8 -","4","1","","Lima, Priscila S. V.; Weimer, Gustavo H.; Oliveira, Leonardo P.; Souza, Helivaldo D. S.; Fiss, Gabriela F.; Bonacorso, Helio G.; Martins, Marcos A. P.","Mesoionic compounds: the role of intermolecular interactions in their crystalline design","CrystEngComm","2023","25","35","4976","4991","10.1039/D3CE00554B","","x-ray","1.54178","CuKα","","0.0364","0.0339","","","0.0903","0.0922","","","","","","1.049","","","","has coordinates","286743","2023-10-06","00:07:38",""
"7247002","5.455","0.015","14.57","0.04","14.53","0.04","90","","96.13","0.04","90","","1148","5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FLUCYTOSINE-GENTISIC ACID form I","FLUCYTOSINE-GENTISIC ACID form I","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.1078","0.0732","","","0.1819","0.2095","","","","","","0.99","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247003","3.715","0.002","14.634","0.008","22.239","0.015","90","","92.71","0.02","90","","1207.7","1.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FLUCYTOSINE-GENTISIC ACID form II","FLUCYTOSINE-GENTISIC ACID form II","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.1158","0.0538","","","0.1027","0.1249","","","","","","1.017","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247004","10.3556","0.0004","8.6408","0.0003","14.1363","0.0006","90","","110.761","0.002","90","","1182.79","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FLUCYTOSINE-GENTISATE form III","FLUCYTOSINE-GENTISATE form III","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.0599","0.0438","","","0.1177","0.1316","","","","","","1.048","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247005","8.934","0.0004","11.4151","0.0005","13.698","0.0006","83.066","0.001","81.123","0.001","83.439","0.001","1363.6","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 Eu N3 O7 -","- C33 H20 Eu N3 O7 -","- C66 H40 Eu2 N6 O14 -","2","1","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","0.71073","MoKα","","0.0286","0.0254","","","0.0608","0.0626","","","","","","1.077","","","","has coordinates,has disorder","286103","2023-09-05","19:38:49",""
"7247006","11.2602","0.0007","12.0576","0.0007","12.2932","0.0007","78.341","0.003","78.639","0.003","63.154","0.003","1447.73","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H48 Eu2 N6 O14 -","- C66 H48 Eu2 N6 O14 -","- C66 H48 Eu2 N6 O14 -","1","0.5","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","0.71073","MoKα","","0.0719","0.0661","","","0.1753","0.1796","","","","","","1.147","","","","has coordinates","286103","2023-09-05","19:38:49",""
"7247007","9.7558","0.0001","18.2307","0.0001","18.7616","0.0001","90","","101.188","0.001","90","","3273.43","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Eu N3 O8 -","- C39 H24 Eu N3 O8 -","- C156 H96 Eu4 N12 O32 -","4","1","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","1.54184","CuKα","","0.0312","0.0299","","","0.0779","0.079","","","","","","1.066","","","","has coordinates","286103","2023-09-05","19:38:49",""
"7247008","10.9554","0.0006","18.3762","0.001","19.9036","0.001","90","","100.718","0.001","90","","3937.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 Nd O8 -","- C30 H32 Au3 N10 Nd O8 -","- C120 H128 Au12 N40 Nd4 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.071","0.0364","","","0.0493","0.0562","","","","","","0.987","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247009","7.8419","0.0006","19.2528","0.0015","23.7526","0.0018","90","","91.512","0.001","90","","3584.9","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 Au6 N20 O20 Sm Tb -","- C52 H56 Au5.998 N20 O20 Sm Tb -","- C104 H112 Au11.996 N40 O40 Sm2 Tb2 -","2","0.25","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0418","0.0313","","","0.0652","0.0682","","","","","","1.097","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247010","7.8552","0.0015","19.264","0.003","23.773","0.004","90","","91.419","0.007","90","","3596.3","1.1","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Tb -","- C26 H28 Au3 N10 O10 Tb -","- C104 H112 Au12 N40 O40 Tb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0609","0.0387","","","0.0861","0.0947","","","","","","1.036","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247011","10.854","0.002","18.197","0.003","19.849","0.004","90","","99.778","0.003","90","","3863.4","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Ce N10 O8 -","- C30 H32 Au3 Ce N10 O8 -","- C120 H128 Au12 Ce4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0352","0.0253","","","0.0496","0.0522","","","","","","1.017","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247012","7.8699","0.0007","19.2577","0.0014","23.7813","0.0017","90","","91.485","0.004","90","","3603","0.5","230","","230","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Sm0.41 Tb0.59 -","- C26 H28 Au3 N10 O10 Sm0.403 Tb0.597 -","- C104 H112 Au12 N40 O40 Sm1.612 Tb2.388 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0312","0.0249","","","0.0543","0.0564","","","","","","1.037","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247013","7.958","0.0007","10.2731","0.001","23.067","0.002","89.082","0.004","85.457","0.004","70.612","0.002","1773.2","0.3","190","","190","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Au3 N10 Nd O9 -","- C26 H26 Au3 N10 Nd O9 -","- C52 H52 Au6 N20 Nd2 O18 -","2","1","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0926","0.0633","","","0.1616","0.1775","","","","","","1.027","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247014","7.8884","0.0008","10.2453","0.001","23.058","0.002","89.15","0.002","85.419","0.002","70.588","0.002","1751.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Au3 N10 O9 Sm0.79 Tb0.22 -","- C26 H26 Au3.0002 N10 O9 Sm0.784 Tb0.216 -","- C52 H52 Au6.0004 N20 O18 Sm1.568 Tb0.432 -","2","1","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0504","0.0306","","","0.0434","0.0472","","","","","","1.015","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247015","10.9102","0.0009","18.2189","0.0015","19.7594","0.0018","90","","100.364","0.003","90","","3863.5","0.6","230","","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Sm -","- C30 H32 Au3 N10 O8 Sm -","- C120 H128 Au12 N40 O32 Sm4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0359","0.0258","","","0.0535","0.0563","","","","","","1.029","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247016","10.8731","0.0005","18.0339","0.0009","19.5988","0.0011","90","","99.557","0.002","90","","3789.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 Au6 N20 O16 Sm Tb -","- C60 H64 Au6 N20 O16 Sm Tb -","- C120 H128 Au12 N40 O32 Sm2 Tb2 -","2","0.25","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0201","0.0178","","","0.0366","0.0372","","","","","","1.096","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247017","10.8792","0.0006","17.9625","0.001","19.5519","0.0012","90","","99.575","0.002","90","","3767.6","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Dy N10 O8 -","- C30 H32 Au3 Dy N10 O8 -","- C120 H128 Au12 Dy4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.032","0.0303","","","0.0785","0.0797","","","","","","1.086","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247018","7.8704","0.0017","19.268","0.005","23.801","0.006","90","","91.576","0.009","90","","3608","1.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 Eu N10 O10 -","- C26 H28 Au2.999 Eu N10 O10 -","- C104 H112 Au11.996 Eu4 N40 O40 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","x-ray","0.71073","MoKα","","0.0721","0.0347","","","0.0558","0.0628","","","","","","1.02","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247019","10.8939","0.0006","17.908","0.001","19.463","0.001","90","","99.59","0.001","90","","3743.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Yb -","- C30 H32 Au3 N10 O8 Yb -","- C120 H128 Au12 N40 O32 Yb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0245","0.0208","","","0.0452","0.0464","","","","","","1.079","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247020","7.7711","0.0013","19.156","0.003","23.765","0.004","90","","91.03","0.003","90","","3537.2","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Yb -","- C26 H28 Au3.001 N10 O10 Yb -","- C104 H112 Au12.004 N40 O40 Yb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0302","0.0246","","","0.0515","0.0538","","","","","","1.068","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247021","10.887","0.0007","18.0157","0.0013","19.5884","0.0014","90","","99.626","0.003","90","","3787.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Tb -","- C30 H32 Au3 N10 O8 Tb -","- C120 H128 Au12 N40 O32 Tb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","x-ray","0.71073","MoKα","","0.0438","0.0362","","","0.1234","0.1307","","","","","","1.047","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247022","10.8683","0.0005","18.0285","0.0007","19.6168","0.001","90","","99.538","0.002","90","","3790.6","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Eu N10 O8 -","- C30 H32 Au3 Eu N10 O8 -","- C120 H128 Au12 Eu4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0328","0.0291","","","0.0686","0.07","","","","","","1.094","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247024","17.7843","0.0002","34.8725","0.0004","7.54963","0.00009","90","","90","","90","","4682.15","0.09","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C28 H23 N5 O -","- C28 H23 N5 O -","- C224 H184 N40 O8 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.54184","CuKα","","0.0414","0.0405","","","0.1137","0.1154","","","","","","1.049","","","","has coordinates","286099","2023-09-05","19:37:45",""
"7247025","20.8701","0.0007","20.0485","0.0007","15.1301","0.0005","90","","114.052","0.001","90","","5781","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H24 Cd N6 O4 -","- C35 H24 Cd N6 O4 -","- C280 H192 Cd8 N48 O32 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.34139","Synchrotron","GaKα","0.0392","0.0292","","","0.0754","0.079","","","","","","1.078","","","","has coordinates,has disorder","286099","2023-09-05","19:37:46",""
"7247026","3.9472","0.0002","3.9472","0.0002","15.2401","0.0001","90","","90","","90","","237.447","0.017","","","30","","","","","","","","","3","I 4/m m m","-I 4 2","139","Cesium iron selenide (0.82/1.62/2)","","","- Cs0.82 Fe1.62 Se2 -","- Cs0.82 Fe1.62 Se2 -","- Cs1.64 Fe3.24 Se4 -","2","0.0625","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","","","","","","","","","","","","","","","","","","","has coordinates","286107","2023-09-05","19:40:38",""
"7247027","12.575","0.001","26.24","0.002","14.684","0.001","90","","102.485","0.01","90","","4730.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Fe N9 O4 Sn -","- C52 H52 Fe N9 O4 Sn -","- C208 H208 Fe4 N36 O16 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","0.895","synchrotron","","0.0548","0.0411","","","0.1043","0.1135","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247028","16.45","0.001","27.473","0.003","18.743","0.002","90","","104.441","0.01","90","","8202.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H53 Cl8 Mo N16 O2 Sn2 -","- C95 H53 Cl8 Mo N16 O2 Sn2 -","- C380 H212 Cl32 Mo4 N64 O8 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","0.895","synchrotron","","0.2431","0.1281","","","0.3251","0.3704","","","","","","1.193","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247029","12.9659","0.0004","18.5545","0.0003","14.3959","0.0003","90","","104.36","0.002","90","","3355.1","0.14","120","1","120","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C140 H144 Cl10 Ir2 N20 Na2 O12 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0281","0.0259","","","0.0578","0.0587","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247030","12.1076","0.0003","12.5476","0.0003","13.9976","0.0003","99.14","0.002","103.14","0.002","109.704","0.002","1884.19","0.09","130","1","130","1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H25 Cl2 N8 O3 Sn V -","- C45.9994 H24.9996 Cl1.9998 N8 O3 Sn V -","- C91.9988 H49.9992 Cl3.9996 N16 O6 Sn2 V2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0203","0.0184","","","0.0482","0.0492","","","","","","1.059","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247031","36.653","0.003","21.7587","0.0018","28.04","0.003","90","","120.978","0.002","90","","19173","3","120","1","120","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C101.5 H83 Cl5.5 N18 Na O6 Ru Sn2 -","- C101.5 H83 Cl5.5 N18 Na O6 Ru Sn2 -","- C812 H664 Cl44 N144 Na8 O48 Ru8 Sn16 -","8","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1728","0.1131","","","0.2292","0.2625","","","","","","1.149","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247032","14.8478","0.0002","12.6529","0.0001","23.7022","0.0002","90","","91.224","0.001","90","","4451.86","0.08","130","2","130","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H35 Cl2 I2 Ir N8 Sn -","- C48 H35 Cl2 I2 Ir N8 Sn -","- C192 H140 Cl8 I8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0229","0.0219","","","0.0534","0.0537","","","","","","1.118","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247033","12.8043","0.0008","11.4261","0.0007","25.2186","0.0017","90","","103.808","0.006","90","","3582.9","0.4","100","0.8","100","0.8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cl2 Ir N8 Sn -","- C42 H31 Cl2 Ir N8 Sn -","- C168 H124 Cl8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1271","0.0724","","","0.1171","0.1364","","","","","","1.054","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247034","12.197","0.0003","12.7088","0.0003","13.9744","0.0003","99.379","0.002","104.646","0.002","109.904","0.002","1895.3","0.09","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H25 Cl3 Mo N8 O2 Sn -","- C45 H25 Cl3 Mo N8 O2 Sn -","- C90 H50 Cl6 Mo2 N16 O4 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0349","0.0304","","","0.0744","0.077","","","","","","1.037","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247035","22.3297","0.0005","12.2594","0.0003","26.799","0.0008","90","","110.193","0.003","90","","6885.3","0.3","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 Cl4 Co I2 Ir N8 Sn -","- C74 H69 Cl4 Co I2 Ir N8 Sn -","- C296 H276 Cl16 Co4 I8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0947","0.0804","","","0.2076","0.2176","","","","","","1.114","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247036","16.1813","0.0018","14.7119","0.0008","37.959","0.002","109.856","0.005","98.694","0.007","95.271","0.007","8301.3","1.2","100","2","100","2","","","","","","","no","8","P -1","-P 1","2","","Decamethylchromosenium salt of tin(II) naphthalocyanine coordinated Ir4(CO)11 cluster, dichlorobenzene solvate","","- C91 H62 Cl4 Cr Ir4 N8 O11 Sn -","- C91 H62 Cl4 Cr Ir4 N8 O11 Sn -","- C364 H248 Cl16 Cr4 Ir16 N32 O44 Sn4 -","4","2","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.2689","0.1638","","","0.3552","0.3897","","","","","","0.991","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247037","16.9638","0.0003","19.8243","0.0003","19.9815","0.0003","90","","96.196","0.001","90","","6680.43","0.19","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H50 Cl2 Cr Ir4 N8 O11 Sn -","- C69 H50 Cl2 Cr Ir4 N8 O11 Sn -","- C276 H200 Cl8 Cr4 Ir16 N32 O44 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0428","0.0295","","","0.0535","0.0569","","","","","","1.042","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247038","22.7101","0.0006","14.5414","0.0008","39.6766","0.0016","90","","90","","90","","13102.7","1","150","2","150","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C528 H480 Cl32 Fe8 K8 N80 O80 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1381","0.0773","","","0.1367","0.1596","","","","","","1.063","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247046","7.703","0.007","9.477","0.009","10.206","0.01","112.963","0.012","102.917","0.013","95.919","0.013","653.4","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Co N10 O4 S2 -","- C20 H24 Co N10 O4 S2 -","- C20 H24 Co N10 O4 S2 -","1","0.5","","Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules","CrystEngComm","2023","25","33","4701","4715","10.1039/D3CE00438D","","","0.71073","MoKα","","0.0343","0.032","","","0.0944","0.0977","","","","","","0.978","","","","has coordinates","286108","2023-09-05","19:40:47",""
"7247047","7.8166","0.0016","11.069","0.002","11.929","0.002","72.386","0.003","78.707","0.003","80.019","0.003","957.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co N18 S2 -","- C38 H32 Co N18 S2 -","- C38 H32 Co N18 S2 -","1","0.5","","Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules","CrystEngComm","2023","25","33","4701","4715","10.1039/D3CE00438D","","","0.71073","MoKα","","0.0395","0.0346","","","0.1016","0.1047","","","","","","1.028","","","","has coordinates","286108","2023-09-05","19:40:47",""
"7247048","8.5226","0.0003","10.0347","0.0004","12.5476","0.0005","77.009","0.002","81.678","0.002","86.51","0.002","1034.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C50 H46 N6 O6 -","2","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0709","0.0508","","","0.1417","0.158","","","","","","1.039","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247049","12.5066","0.0004","14.8096","0.0005","18.3306","0.0007","90","","90","","90","","3395.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0678","0.0466","","","0.1152","0.1278","","","","","","1.063","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247050","11.3394","0.0008","11.345","0.0008","14.9825","0.001","77.424","0.005","86.116","0.004","67.045","0.004","1731.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","2","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.1413","0.0723","","","0.1724","0.2116","","","","","","1.061","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7247051","7.9976","0.0005","8.4028","0.0005","12.3149","0.0008","75.304","0.003","71.879","0.003","81.037","0.003","758.14","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 F3 N2 O3 S -","- C14 H15 F3 N2 O3 S -","- C28 H30 F6 N4 O6 S2 -","2","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.0378","0.0338","","","0.0977","0.1002","","","","","","1.055","","","","has coordinates","286122","2023-09-05","19:44:01",""
"7247052","10.8564","0.0014","7.7062","0.0009","38.699","0.005","90","","90","","90","","3237.6","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 F3 N4 O2 -","- C16 H19 F3 N4 O2 -","- C128 H152 F24 N32 O16 -","8","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.19","0.0959","","","0.2089","0.2374","","","","","","1.036","","","","has coordinates,has disorder","286122","2023-09-05","19:44:02",""
"7247053","14.6222","0.0016","5.5787","0.0006","14.6298","0.0016","90","","144.34","0.01","90","","695.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","","Gaur, Ruchi","Polymorphism in parabanic acid-urea cocrystals governed by supramolecular synthons: a comparative analysis","CrystEngComm","2023","25","33","4680","4689","10.1039/D3CE00258F","","","0.71073","MoKα","","0.0336","0.0315","","","0.0782","0.0794","","","","","","1.091","","","","has coordinates","286110","2023-09-05","19:41:07",""
"7247054","6.78","0.002","10.046","0.003","10.579","0.003","90","","104.986","0.007","90","","696","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","","Gaur, Ruchi","Polymorphism in parabanic acid-urea cocrystals governed by supramolecular synthons: a comparative analysis","CrystEngComm","2023","25","33","4680","4689","10.1039/D3CE00258F","","","0.71073","MoKα","","0.0575","0.0482","","","0.1064","0.1109","","","","","","1.215","","","","has coordinates","286110","2023-09-05","19:41:08",""
"7247055","7.2373","0.0005","11.5245","0.0008","12.2725","0.0008","70.605","0.002","84.799","0.002","76.466","0.002","938.61","0.11","140","","140","","","","","","","","","5","P -1","-P 1","2","Bis(Ciprofloxacin) oxalic acid oxalate dihydrate","","","- C19 H22 F N3 O8 -","- C19 H22 F N3 O8 -","- C38 H44 F2 N6 O16 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0366","0.0334","","","0.0906","0.0929","","","","","","1.025","","","","has coordinates","286117","2023-09-05","19:42:47",""
"7247056","7.1349","0.0008","11.9568","0.0014","12.32","0.0013","77.766","0.004","89.132","0.004","82.126","0.004","1017.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","Bis(Ciprofloxacin) oxalic acid dioxalate dihydrate","","","- C20 H23 F N3 O10 -","- C20 H23 F N3 O10 -","- C40 H46 F2 N6 O20 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0475","0.0353","","","0.0864","0.0916","","","","","","1.03","","","","has coordinates","286117","2023-09-05","19:42:48",""
"7247057","13.7549","0.0018","13.9237","0.0019","30.361","0.004","90.753","0.005","93.648","0.004","94.741","0.005","5782.1","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","Hexa-Ciprofloxacin tri-oxalate dihydrate","","","- C108 H118 F6 N18 O32 -","- C108 H118 F6 N18 O32 -","- C216 H236 F12 N36 O64 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0577","0.0405","","","0.1023","0.1092","","","","","","1.04","","","","has coordinates,has disorder","286117","2023-09-05","19:42:48",""
"7247058","19.785","0.004","18.079","0.004","16.343","0.003","90","","115.629","0.007","90","","5270.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 F12 N6 O4 -","- C54 H54 F12 N6 O4 -","- C216 H216 F48 N24 O16 -","4","0.5","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1441","0.0887","","","0.2464","0.2799","","","","","","1.064","","","","has coordinates,has disorder","287334","2023-11-06","07:22:45",""
"7247059","10.8811","0.0017","11.1873","0.0017","16.516","0.002","70.972","0.006","71.325","0.006","85.357","0.007","1800","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H96 N8 O12 -","- C76 H96 N8 O12 -","- C76 H96 N8 O12 -","1","0.5","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1637","0.0857","","","0.2495","0.2907","","","","","","1.088","","","","has coordinates","287334","2023-11-06","07:22:59",""
"7247060","15.7903","0.0011","16.4942","0.001","19.737","0.0014","90","","110.881","0.003","90","","4802.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 F6 N6 O4 -","- C52 H56 F6 N6 O4 -","- C208 H224 F24 N24 O16 -","4","1","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1086","0.0609","","","0.1453","0.1672","","","","","","1.055","","","","has coordinates,has disorder","287334","2023-11-06","07:23:08",""
"7247061","10.352","0.002","18.345","0.004","20.704","0.005","90","","93.095","0.009","90","","3926.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 F6 N4 O6 -","- C40 H46 F6 N4 O6 -","- C160 H184 F24 N16 O24 -","4","1","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1031","0.0605","","","0.1438","0.1606","","","","","","1.055","","","","has coordinates,has disorder","287334","2023-11-06","07:23:25",""
"7247070","9.8457","0.0019","10.6763","0.0019","14.355","0.003","90","","115.832","0.006","90","","1358.2","0.5","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Co2L2Cl2]","","- C24 H26 Br2 Cl2 Co2 N4 O2 -","- C24 H26 Br2 Cl2 Co2 N4 O2 -","- C48 H52 Br4 Cl4 Co4 N8 O4 -","2","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.1792","0.105","","","0.2502","0.2855","","","","","","1.0793","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247071","7.3125","0.0004","9.9783","0.0006","11.6624","0.0007","71.043","0.002","80.28","0.002","77.336","0.002","780.82","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","[Co2L1(acac)2]?2MeCN","","- C28 H36 Cl2 Co2 N6 O2 -","- C28 H36 Cl2 Co2 N6 O2 -","- C28 H36 Cl2 Co2 N6 O2 -","1","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.0484","0.0404","","","0.0846","0.0915","","","","","","1.171","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247072","18.0168","0.001","22.4384","0.0013","9.4282","0.0006","90","","96.955","0.002","90","","3783.5","0.4","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Co2L2(acac)2]2","","- C68 H84 Br4 Co4 N8 O12 -","- C68 H84 Br4 Co4 N8 O12 -","- C136 H168 Br8 Co8 N16 O24 -","2","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.1564","0.065","","","0.1048","0.1305","","","","","","1.023","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247073","9.9504","0.0007","10.6442","0.0008","11.3733","0.0008","96.093","0.003","114.41","0.002","108.736","0.002","998.14","0.13","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","[Co2L1(acac)2]?2MeCN","","- C38 H50 Co2 N6 O6 -","- C38 H50 Co2 N6 O6 -","- C38 H50 Co2 N6 O6 -","1","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.0509","0.0389","","","0.071","0.0746","","","","","","1.0431","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247089","14.928","0.004","18.059","0.004","20.972","0.005","84.908","0.006","76.202","0.006","78.679","0.006","5379","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H120 Au4 Cl6 N8 O8 -","- C120 H120 Au4 Cl6 N8 O8 -","- C240 H240 Au8 Cl12 N16 O16 -","2","1","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.176","0.101","","","0.2822","0.3543","","","","","","1.155","","","","has coordinates,has disorder","286109","2023-09-05","19:40:59",""
"7247090","16.7951","0.0017","17.6474","0.0017","19.8427","0.0018","77.941","0.003","82.828","0.003","75.258","0.003","5546.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Au2 Cl4 N4 O4 -","- C60 H60 Au2 Cl4 N4 O4 -","- C240 H240 Au8 Cl16 N16 O16 -","4","2","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.0609","0.0368","","","0.0784","0.0849","","","","","","1.013","","","","has coordinates,has disorder","286109","2023-09-05","19:41:00",""
"7247091","14.437","0.0007","18.6296","0.0009","22.2485","0.0011","82.428","0.002","79.383","0.002","77.623","0.002","5718.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H128 Au4 Cl6 N8 O12 -","- C124 H126 Au4 Cl6 N8 O12 -","- C248 H252 Au8 Cl12 N16 O24 -","2","1","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.0708","0.04","","","0.0911","0.1006","","","","","","1.085","","","","has coordinates,has disorder","286109","2023-09-05","19:41:00",""
"7247096","5.2481","0.0012","14.898","0.003","15.184","0.004","90","","90","","90","","1187.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.0466","0.0378","","","0.1142","0.1298","","","","","","0.935","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247097","8.638","0.01","17.1","0.02","8.705","0.01","90","","111.112","0.014","90","","1200","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.164","0.0807","","","0.1976","0.2414","","","","","","1.008","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247104","8.2694","0.0006","8.7155","0.0007","26.765","0.002","87.121","0.006","85.505","0.006","80.356","0.007","1894.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","CTC-1OH","","- C40 H39 N2 O18.5 -","- C40 H39 N2 O18.5 -","- C80 H78 N4 O37 -","2","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.0952","0.0551","","","0.1372","0.1637","","","","","","1.037","","","","has coordinates","286741","2023-10-06","00:06:20",""
"7247105","4.7835","0.0005","43.651","0.005","11.3771","0.0011","90","","90","","90","","2375.6","0.4","293","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O9 -","- C28 H24 N2 O9 -","- C112 H96 N8 O36 -","4","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.1739","0.1661","","","0.451","0.469","","","","","","1.135","","","","has coordinates,has disorder","286741","2023-10-06","00:06:20",""
"7247106","5.1806","0.0002","5.1806","0.0002","12.8377","0.001","90","","90","","120","","298.39","0.03","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O7 P2 -","- Al O7 P2 -","- Al2 O14 P4 -","2","0.166667","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0377","0.0356","","","0.0963","0.0983","","","","","","1.234","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247107","6.8925","0.0006","7.1249","0.0006","8.6411","0.0014","89.34","0.011","67.136","0.012","87.675","0.007","390.68","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Al O5 P -","- Al O5 P -","- Al4 O20 P4 -","4","2","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0963","0.0916","","","0.205","0.21","","","","","","1.116","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247108","7.9101","0.0007","7.9101","0.0007","7.1057","0.0008","90","","90","","120","","385.04","0.06","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Al3 O19.5 P6 -","- Al3 O19.5 P6 -","- Al3 O19.5 P6 -","1","0.0833333","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0668","0.0603","","","0.1706","0.1749","","","","","","1.149","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247109","6.692","0.0002","6.692","0.0002","13.0305","0.0007","90","","90","","90","","583.54","0.04","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- Ca O3 P -","- Ca O3 P -","- Ca8 O24 P8 -","8","1","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0251","0.0243","","","0.0654","0.0659","","","","","","1.133","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247110","16.0602","0.0012","7.6455","0.0009","11.9152","0.0013","90","","94.692","0.008","90","","1458.1","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Py-TP-BT","5-(2-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.0887","0.0465","","","0.0979","0.112","","","","","","1.017","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247111","6.1579","0.0003","7.5864","0.0004","31.1475","0.0014","90","","90","","90","","1455.1","0.12","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4Py-TP-BT","5-(4-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.1111","0.0553","","","0.1038","0.1217","","","","","","0.997","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247113","5.6474","0.0009","7.3558","0.0011","10.9693","0.0015","108.023","0.013","94.575","0.012","99.275","0.013","423.55","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","piperazine-1,4-diium di-sorbate","piperazine-1,4-diium di-2e,4e-hexadienoicate","","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","1","0.5","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0553","0.0434","","","0.1029","0.114","","","","","","1.041","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247114","4.0241","0.0002","7.3014","0.0003","20.0901","0.001","97.098","0.004","92.087","0.004","90.663","0.003","585.29","0.05","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","Nicotinamide Sorbic acid","Nicotinamide 2e,4e-hexadienoicacid","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0585","0.0497","","","0.1281","0.1339","","","","","","1.093","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247115","8.8238","0.0003","11.919","0.0003","11.9562","0.0003","90","","95.671","0.003","90","","1251.29","0.06","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-Diaminopyridinium Sorbate monohydrate","2,6-Diaminopyridinium 2e,4e-hexadienoicate monohydrate","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C44 H68 N12 O12 -","4","1","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0415","0.0371","","","0.1001","0.1046","","","","","","1.053","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247116","27.4286","0.0008","17.9342","0.0002","15.0384","0.0004","90","","133.511","0.005","90","","5365","0.5","223","0.1","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H78 Cl6 Fe4 N O60 -","- C74 H78 Cl6 Fe4 N O60 -","- C148 H156 Cl12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0633","0.0597","","","0.1604","0.1643","","","","","","1.084","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247117","27.2657","0.0008","17.98779","0.00019","15.0294","0.0004","90","","133.512","0.005","90","","5345.8","0.5","223.15","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C74H76Cl4Fe4NO60","","- C74 H80 Cl4 Fe4 N O60 -","- C74 H80 Cl4 Fe4 N O60 -","- C148 H160 Cl8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","","1.54184","CuKα","","0.0539","0.0531","","","0.1383","0.1392","","","","","","1.026","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247118","27.2902","0.0013","17.9198","0.0003","15.0346","0.0007","90","","133.441","0.009","90","","5338.5","0.9","223","0.1","223","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","[NH4<C72H72O60Fe4](CH2Br2)2","","- C74 H80 Br4 Fe4 N O60 -","- C74 H80 Br4 Fe4 N O60 -","- C148 H160 Br8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","0.71073","MoKα","","0.0745","0.0709","","","0.2038","0.2077","","","","","","1.061","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247119","27.5848","0.0004","17.97775","0.0001","15.1052","0.0002","90","","133.527","0.003","90","","5431.2","0.3","223","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C72H72O60Fe4(CHBr3)2","","- C74 H78 Br6 Fe4 N O60 -","- C74 H78 Br6 Fe4 N O60 -","- C148 H156 Br12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0724","0.0708","","","0.1925","0.1947","","","","","","1.021","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247122","6.452","0.001","11.032","0.002","28.638","0.005","90","","90","","90","","2038.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 K N5 O14 P2 -","- C10 H22 K N5 O14 P2 -","- C40 H88 K4 N20 O56 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.036","0.0351","","","0.094","0.0945","","","","","","1.073","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247123","26.352","0.006","10.99","0.003","6.7232","0.0011","90","","90","","90","","1947.1","0.8","300","2","300","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H28 K N10 O26.25 P4 -","- C40 H56 K2 N20 O52.5 P8 -","2","0.5","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0834","0.0681","","","0.1868","0.2024","","","","","","1.052","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247124","26.388","0.009","10.285","0.004","6.2377","0.0015","90","","90","","90","","1692.9","1","320","2","320","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 K N5 O10 P2 -","- C10 H14 K N5 O10 P2 -","- C40 H56 K4 N20 O40 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0792","0.058","","","0.1607","0.18","","","","","","1.101","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247125","25.939","0.004","11.003","0.002","13.505","0.002","90","","90","","90","","3854.4","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H41.512 K N10 O26.256 P4 -","- C80 H166.048 K4 N40 O105.024 P16 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","0.71073","MoKα","","0.0395","0.0348","","","0.0876","0.0896","","","","","","1.045","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247126","28.31","0.005","10.412","0.002","6.2855","0.001","90","","90","","90","","1852.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H18 K N5 O12 P2 -","- C10 H18 K N5 O12 P2 -","- C40 H72 K4 N20 O48 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.54184","CuKα","","0.0392","0.0381","","","0.1006","0.1011","","","","","","1.062","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247127","10.645","0.003","21.957","0.008","8.674","0.003","90","","91.131","0.011","90","","2027","1.2","296","2","295.85","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O7 -","- C20 H19 N3 O7 -","- C80 H76 N12 O28 -","4","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1677","0.0634","","","0.1191","0.1633","","","","","","1.001","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247128","7.2928","0.0005","17.0257","0.0009","25.6078","0.0016","90","","90","","90","","3179.6","0.3","296","2","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C120 H120 N24 O48 -","8","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1387","0.0575","","","0.1285","0.1771","","","","","","1.007","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247154","7.4176","0.0005","7.5344","0.0005","13.4049","0.0009","94.585","0.002","101.837","0.002","115.88","0.002","647.36","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C30 H26 N2 O10 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities","CrystEngComm","2023","25","34","4798","4811","10.1039/D3CE00608E","","","0.71073","MoKα","","0.0484","0.0392","","","0.1092","0.1154","","","","","","1.045","","","","has coordinates","286124","2023-09-05","19:44:20",""
"7247155","17.3245","0.0007","4.8311","0.0002","18.3867","0.0008","90","","107.778","0.002","90","","1465.41","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities","CrystEngComm","2023","25","34","4798","4811","10.1039/D3CE00608E","","","0.71073","MoKα","","0.0646","0.0412","","","0.0896","0.1035","","","","","","1.058","","","","has coordinates","286124","2023-09-05","19:44:20",""
"7247156","10.40289","0.00006","6.00012","0.00003","7.72969","0.00005","90","","117.197","0.0004","90","","429.134","0.005","293","","293","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","K5Yb0.3Eu0.7(MoO4)4","","","- Eu0.7 K5 Mo4 O16 Yb0.3 -","- Eu0.7 K5 Mo4 O16 Yb0.3 -","- Eu0.7 K5 Mo4 O16 Yb0.3 -","1","0.125","","Posokhova, Svetlana M.; Morozov, Vladimir A.; Zonov, Egor M.; Deyneko, Dina V.; Spassky, Dmitry A.; Fedyunin, Fedor D.; Belik, Alexei A.; Pavlova, Erzhena T.; Vasin, Andrey A.; Lazoryak, Bogdan I.","K5Yb1−xEux(MoO4)4 phosphors: aperiodic structures and luminescence properties","CrystEngComm","2023","25","34","4822","4833","10.1039/D3CE00401E","powder diffraction","x-ray","0.65297","synchrotron","","0.0314","0.0313","","0.0391","0.0391","","","","6.01","","","","","","","has coordinates","286119","2023-09-05","19:43:20",""
"7247163","8.1405","0.0002","12.0603","0.0003","14.974","0.0004","70.718","0.002","85.026","0.002","83.285","0.002","1376.3","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","2,3,4,5,6-pentafluorobenzoate-tin-tetraiodoporphrin","","","- C58 H24 F10 I4 N4 O4 Sn -","- C58 H24 F10 I4 N4 O4 Sn -","- C58 H24 F10 I4 N4 O4 Sn -","1","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0496","0.0424","","","0.1011","0.1057","","","","","","1.086","","","","has coordinates","286738","2023-10-06","00:05:45",""
"7247164","14.2789","0.0003","16.8821","0.0004","12.1517","0.0003","90","","96.37","0.002","90","","2911.18","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-fluorobenzoate-tin-tetraiodoporphrin","","","- C64 H44 F2 I4 N4 O4 Sn -","- C64 H44 F2 I4 N4 O4 Sn -","- C128 H88 F4 I8 N8 O8 Sn2 -","2","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0559","0.045","","","0.1334","0.139","","","","","","1.059","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247165","21.2268","0.0007","15.2917","0.0005","18.6929","0.0005","90","","94.748","0.003","90","","6046.8","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2,4,6-trifluorobenzoate-tin-tetraiodoporphrin","","","- C64 H40 F6 I4 N4 O4 Sn -","- C64 H40 F6 I4 N4 O4 Sn -","- C256 H160 F24 I16 N16 O16 Sn4 -","4","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0655","0.0542","","","0.1614","0.1709","","","","","","1.073","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247166","12.5134","0.0004","39.2235","0.0008","12.3836","0.0003","90","","103.376","0.003","90","","5913.2","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,6-difluorobenzoate-tin-tetraiodoporphrin","","","- C59 H31 Cl3 F4 I4 N4 O4 Sn -","- C59 H31 Cl3 F4 I4 N4 O4 Sn -","- C236 H124 Cl12 F16 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0656","0.0554","","","0.1711","0.1791","","","","","","1.07","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247167","12.5356","0.0003","40.7661","0.0008","12.4757","0.0003","90","","102.912","0.002","90","","6214.2","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,4-difluorobenzoate-tin-tetraiodoporphrin","","","- C65 H43 Cl3 F4 I4 N4 O4 Sn -","- C65 H43 Cl3 F4 I4 N4 O4 Sn -","- C260 H172 Cl12 F16 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0682","0.0569","","","0.159","0.1658","","","","","","1.022","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247168","15.5029","0.0003","19.537","0.0004","22.8054","0.0004","90","","102.773","0.002","90","","6736.4","0.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","2,3,5,6-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C70 H50 F8 I4 N4 O4 Sn -","- C70 H50 F8 I4 N4 O4 Sn -","- C280 H200 F32 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.04","0.0349","","","0.098","0.1019","","","","","","1.045","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247169","10.6659","0.0001","24.8734","0.0004","30.8319","0.0004","90","","92.536","0.001","90","","8171.61","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2,3,4,5-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C58 H26 F8 I4 N4 O4 Sn -","- C58 H26 F8 I4 N4 O4 Sn -","- C348 H156 F48 I24 N24 O24 Sn6 -","6","1.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0844","0.0648","","","0.2008","0.2147","","","","","","1.078","","","","has coordinates","286738","2023-10-06","00:05:46",""
"7247170","11.1507","0.0006","11.742","0.0006","14.0683","0.0007","73.932","0.005","85.67","0.004","84.591","0.004","1759.79","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N20 O2 Pb3 -","- C26 H22 N20 O2 Pb3 -","- C52 H44 N40 O4 Pb6 -","2","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Eftekhari-Sis, Bagher; Mitoraj, Mariusz P.; Sagan, Filip; Safin, Damir A.","Tetrel bonding stabilization of a new coordination polymer constructed from lead(ii) azide and 1-(pyridin-2-yl)ethylidenepicolinohydrazide","CrystEngComm","2023","25","36","5100","5108","10.1039/D3CE00596H","","","0.71073","MoKα","","0.0927","0.0629","","","0.1359","0.1498","","","","","","1.086","","","","has coordinates","286732","2023-10-06","00:04:42",""
"7247177","17.0535","0.0006","10.0663","0.0004","6.9926","0.0002","90","","91.543","0.003","90","","1199.95","0.07","296.89","0.15","296.89","0.15","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H28 Co Li N8 O14 -","- C14 H26 Co Li N8 O14 -","- C28 H52 Co2 Li2 N16 O28 -","2","0.5","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1025","0.0967","","","0.274","0.2827","","","","","","1.09","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247178","9.9786","0.0003","9.9786","0.0003","7.0265","0.0003","90","","90","","120","","605.91","0.04","350","15","350","15","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C14 H28 Co Li N8 O14 -","- C5.9994 Co Li N7.9998 O13.9998 -","- C5.9994 Co Li N7.9998 O13.9998 -","1","0.166667","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1227","0.115","","","0.2907","0.2977","","","","","","1.332","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247179","5.3766","0.0003","8.7055","0.0005","15.6819","0.0008","90","","99.722","0.002","90","","723.47","0.07","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C32 H28 Cl4 N4 -","2","0.5","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","1.54178","CuKα","","0.0243","0.0243","","","0.0639","0.0639","","","","","","1.057","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247180","5.5678","0.0002","8.7473","0.0004","15.6491","0.0007","90","","98.8027","0.0014","90","","753.18","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C32 H28 Br4 N4 -","2","0.5","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","1.54178","CuKα","","0.0215","0.0215","","","0.056","0.0561","","","","","","1.119","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247181","15.0686","0.0006","9.1426","0.0004","10.3068","0.0004","90","","93.7551","0.0013","90","","1416.88","0.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-chloroacetophenone azine","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C64 H56 Cl8 N8 -","4","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0543","0.0421","","","0.0865","0.0944","","","","","","1.138","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247182","9.3239","0.0007","10.3551","0.0007","30.346","0.002","90","","90","","90","","2929.9","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C128 H112 Br16 N16 -","8","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0476","0.0319","","","0.0583","0.0627","","","","","","1.076","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247185","5.3204","0.0002","13.5037","0.0009","43.718","0.002","82.294","0.005","89.769","0.004","89.83","0.004","3112.5","0.3","105","7","105","7","","","","","","","","6","P -1","-P 1","2","","","","- C51 H108 N3 Na O15 S3 -","- C51 H108 N3 Na O15 S3 -","- C102 H216 N6 Na2 O30 S6 -","2","1","","Arul Prakash, Sukanya; Chinapaka, Ravindar; John, Martin Luther; Dey, Somnath; Kamlekar, Ravi Kanth","Crystal structure, molecular packing, and intermolecular interactions of N-pentadecanoyltaurine and N-acyltaurine's interaction with cholesterol","CrystEngComm","2023","25","37","5286","5295","10.1039/D3CE00646H","","","0.71073","MoKα","","0.279","0.1111","","","0.2334","0.3161","","","","","","0.932","","","","has coordinates","286723","2023-10-06","00:02:24",""
"7247186","14.02999","0.00014","43.3663","0.0003","33.7009","0.0002","90","","94.381","0.0008","90","","20444.7","0.3","153","4","153","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cd@pyridine","","- C116.5 H93.63 Cd4.67 N14.83 O28.5 -","- C116.5 H93.6333 Cd4.66667 N14.8333 O28.5 -","- C699 H561.8 Cd28 N89 O171 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0884","0.0788","","","0.2157","0.2264","","","","","","1.044","","","","has coordinates,has disorder","286742","2023-10-06","00:07:28",""
"7247187","13.6817","0.0002","43.2808","0.0004","33.7646","0.0004","90","","95.3182","0.0014","90","","19907.8","0.4","154","7","154","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium acetonitrile","","- C142.2 H117.2 Cd6.8 N19.5 O48 -","- C142.2 H116.7 Cd6.8 N19.5 O48 -","- C568.8 H466.8 Cd27.2 N78 O192 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0906","0.0757","","","0.2108","0.228","","","","","","1.077","","","","has coordinates,has disorder","286742","2023-10-06","00:07:28",""
"7247188","14.1427","0.0003","43.199","0.0006","33.7991","0.0004","90","","94.7053","0.0016","90","","20580","0.6","158","11","158","11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1407","","- C173.5 H146.25 Cd7 N19.25 O46 -","- C173.5 H146.25 Cd7 N19.25 O46 -","- C694 H585 Cd28 N77 O184 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.1102","0.0886","","","0.2398","0.2594","","","","","","1.034","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247189","13.9475","0.0002","43.3134","0.0004","33.5321","0.0004","90","","94.4569","0.0011","90","","20195.9","0.4","151","1","151","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tri(dimethlyformamide)-pentaaqua-hepta cadmium acetone","","- C117.39 H103.38 Cd5.6 N14.2 O39.66 -","- C117.392 H103.384 Cd5.6 N14.2 O39.656 -","- C586.96 H516.92 Cd28 N71 O198.28 -","5","1.25","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.1078","0.084","","","0.22","0.2454","","","","","","1.031","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247190","14.68693","0.00011","42.8432","0.0003","33.8507","0.0002","90","","93.1111","0.0007","90","","21268.7","0.3","155","7","155","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1355","","- C115.44 H96.4 Cd5.6 N14.68 O39.2 -","- C113.52 H93.2 Cd5.6 N14.44 O39.2 -","- C567.6 H466 Cd28 N72.2 O196 -","5","1.25","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0878","0.0794","","","0.2327","0.2426","","","","","","1.029","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247191","14.615","0.0001","43.0674","0.0003","33.6023","0.0002","90","","93.676","0.001","90","","21106.8","0.2","137.4","0.6","137.4","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1363","","- C94.83 H81.86 Cd4 N10.57 O28.17 -","- C94.8286 H80.4286 Cd4 N10.5714 O28.1714 -","- C663.8 H563 Cd28 N74 O197.2 -","7","1.75","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0822","0.0759","","","0.208","0.2136","","","","","","1.06","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247192","14.75582","0.00016","42.951","0.0003","33.8388","0.0003","90","","93.4415","0.0009","90","","21407.6","0.3","152","4","152","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1393","","- C123 H108.67 Cd4.67 N15 O27.67 -","- C123 H108.667 Cd4.66667 N15 O27.6667 -","- C738 H652 Cd28 N90 O166 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.104","0.0923","","","0.2409","0.2526","","","","","","1.06","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247193","14.6954","0.0002","42.2913","0.0004","33.8929","0.0004","90","","91.649","0.001","90","","21055.3","0.4","149.4","0.8","149.4","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium dimethylformamide","","- C147.75 H0.25 Cd7 N20.75 O51.75 -","- C146.25 H135.25 Cd7 N20.25 O51.25 -","- C585 H541 Cd28 N81 O205 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0946","0.0751","","","0.2019","0.2235","","","","","","1.02","","","","has coordinates","286742","2023-10-06","00:07:29",""
"7247194","14.5221","0.0001","42.7754","0.0002","33.9548","0.0002","90","","93.429","0.001","90","","21054.6","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-penta(dimethlyformamide)-triaqua-hepta cadmium isopropanol","","- C106.46 H110.99 Cd4.67 N14.5 O36 -","- C106.467 H110.833 Cd4.66667 N14.5 O36 -","- C638.8 H665 Cd28 N87 O216 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0596","0.055","","","0.1602","0.1673","","","","","","1.035","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247195","14.9412","0.0002","42.7238","0.0004","33.8725","0.0004","90","","93.6969","0.0014","90","","21577.3","0.4","156","9","156","9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1386","","- C161.75 H131 Cd6.9 N25.5 O41.65 -","- C161.75 H131 Cd6.9 N25.5 O41.65 -","- C647 H524 Cd27.6 N102 O166.6 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.118","0.1101","","","0.2867","0.2931","","","","","","1.063","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247196","14.0589","0.00012","43.1549","0.0002","33.7222","0.0002","90","","94.5246","0.0007","90","","20395.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1410","","- C110.67 H81.33 Cd4.67 N12.67 O28.67 -","- C110.667 H81.3333 Cd4.66667 N12.6667 O28.6667 -","- C664 H488 Cd28 N76 O172 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0954","0.0797","","","0.2062","0.2236","","","","","","1.046","","","","has coordinates","286742","2023-10-06","00:07:29",""
"7247201","36.833","0.005","10.295","0.0014","20.105","0.003","90","","102.065","0.006","90","","7455.3","1.8","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H84 Cd3 N6 O36 -","- C52 H52 Cd3 N6 O36 -","- C208 H208 Cd12 N24 O144 -","4","0.5","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1367","0.0896","","","0.2264","0.2476","","","","","","1.34","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7247202","30.4107","0.0013","30.4107","0.0013","30.414","","90","","90","","90","","28127.2","1.7","120","2","120","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H276 Cu24 N30 O144 -","- C320 H312 Cu24 N40 O144 -","- C640 H624 Cu48 N80 O288 -","2","0.125","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1298","0.0585","","","0.1609","0.2118","","","","","","1.182","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7247203","16.0415","0.001","6.6425","0.0004","44.992","0.003","90","","90","","90","","4794.2","0.5","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N O7 -","- C28 H25 N O7 -","- C224 H200 N8 O56 -","8","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","0.71073","MoKα","","0.0878","0.067","","","0.1828","0.196","","","","","","1.07","","","","has coordinates,has disorder","286734","2023-10-06","00:04:56",""
"7247204","18.9053","0.0006","8.2831","0.0002","20.9395","0.0005","90","","98.594","0.002","90","","3242.19","0.15","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C156 H128 N8 O28 -","4","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","1.54178","CuKα","","0.0604","0.0566","","","0.1742","0.1822","","","","","","1.127","","","","has coordinates","286734","2023-10-06","00:04:57",""
"7247205","18.4305","0.0012","3.7948","0.0002","25.3173","0.0015","90","","90","","90","","1770.69","0.18","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 O2 -","- C12 H7 O2 -","- C96 H56 O16 -","8","2","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1136","0.1031","","","0.2383","0.2563","","","","","","1.103","","","","has coordinates,has disorder","286727","2023-10-06","00:03:10",""
"7247206","4.1607","0.0002","14.3681","0.0005","16.2365","0.0005","70.813","0.003","88.318","0.003","83.695","0.003","911.15","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O2 -","- C18 H8 F4 I2 O2 -","- C36 H16 F8 I4 O4 -","2","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0317","0.0261","","","0.0611","0.0637","","","","","","1.076","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247207","29.444","0.0008","8.5268","0.0002","18.3966","0.0005","90","","91.377","0.003","90","","4617.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 F4 I2 N2 -","- C26 H14 F4 I2 N2 -","- C208 H112 F32 I16 N16 -","8","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0217","0.0189","","","0.0469","0.0479","","","","","","1.041","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247208","7.4786","0.0008","8.5409","0.0007","14.6445","0.0011","75.696","0.009","77.44","0.01","88.124","0.008","884.49","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O2 -","- C18 H8 F4 I2 O2 -","- C36 H16 F8 I4 O4 -","2","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0505","0.04","","","0.1213","0.1316","","","","","","1.078","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247209","4.22529","0.00016","34.4499","0.0015","21.9267","0.001","90","","91.425","0.004","90","","3190.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 F8 I4 N2 -","- C32 H14 F8 I4 N2 -","- C128 H56 F32 I16 N8 -","4","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0404","0.0283","","","0.0543","0.0582","","","","","","1.026","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247210","34.3394","0.0016","7.4235","0.0003","19.2266","0.001","90","","90","","90","","4901.2","0.4","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C26 H14 F3 I3 N2 -","- C26 H14 F3 I3 N2 -","- C208 H112 F24 I24 N16 -","8","0.5","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0315","0.0252","","","0.0588","0.0631","","","","","","1.051","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247211","18.2877","0.0005","30.6219","0.0007","28.2054","0.001","90","","98.227","0.003","90","","15632.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F3 I3 O2 -","- C18 H8 F3 I3 O2 -","- C576 H256 F96 I96 O64 -","32","8","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1232","0.0665","","","0.139","0.1725","","","","","","1.118","","","","has coordinates","295543","2024-10-18","15:17:10",""
"7247216","10.5137","0.0004","5.4852","0.0002","10.3155","0.0004","90","","110.873","0.002","90","","555.85","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N1,N2-bis(5-methylisoxazol-3-yl)oxalamide","N1,N2-bis(5-methylisoxazol-3-yl)oxalamide","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C20 H20 N8 O8 -","2","0.5","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","x-ray","1.54178","CuKα","","0.0574","0.0406","","","0.1018","0.1134","","","","","","1.036","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247217","9.5647","0.0002","4.6961","0.0001","13.7344","0.0003","90","","97.14","0.001","90","","612.12","0.02","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C22 H24 N8 O8 -","2","0.5","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","1.54178","CuKα","","0.0432","0.0404","","","0.112","0.1157","","","","","","1.045","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247218","20.0136","0.0006","8.2017","0.0003","9.831","0.0003","90","","90","","90","","1613.71","0.09","294","2","294","2","","","","","","","","5","P m n 21","P 2ac -2","31","malonamide-DMSO solvate","N1,N3-bis (5-methylisoxazol-3-yl)malonamide","","- C13 H18 N4 O5 S -","- C13 H18 N4 O5 S -","- C52 H72 N16 O20 S4 -","4","1","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","1.54178","CuKα","","0.0366","0.0347","","","0.0965","0.0985","","","","","","1.067","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247219","4.9247","0.0002","9.8219","0.0005","12.0712","0.0006","88.35","0.002","82.491","0.001","88.948","0.002","578.57","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C22 H24 N8 O8 -","2","1","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","0.71073","MoKα","","0.0377","0.0355","","","0.087","0.0885","","","","","","1.062","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247220","11.135","0.002","19.665","0.004","21.122","0.004","106.71","0.03","102.08","0.03","104.65","0.03","4082","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H88 Cl4 N4 O9 Zn2 -","- C88 H88 Cl4 N4 O9 Zn2 -","- C176 H176 Cl8 N8 O18 Zn4 -","2","1","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.74","synchrotron","","0.1295","0.0669","","","0.2005","0.2321","","","","","","0.871","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247221","6.0205","0.001","18.3","0.003","23.836","0.004","90","","91.674","0.005","90","","2625","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 Cl4 N6 O2 Zn2 -","- C58 H52 Cl4 N6 O2 Zn2 -","- C116 H104 Cl8 N12 O4 Zn4 -","2","0.5","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.71073","MoKα","","0.0661","0.0451","","","0.1054","0.1173","","","","","","1.05","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247222","13.164","0.003","17.894","0.004","21.651","0.004","76.66","0.03","72.73","0.03","85.85","0.03","4739","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C217 H210 Cl10 N8 O12 Zn4 -","- C217 H210 Cl10 N8 O12 Zn4 -","- C217 H210 Cl10 N8 O12 Zn4 -","1","0.5","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.63","synchrotron","","0.0868","0.0757","","","0.2352","0.2431","","","","","","1.163","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247223","13.7962","0.0011","17.9965","0.0012","20.997","0.0015","75.579","0.004","72.959","0.005","88.789","0.005","4819.7","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H88 Cl4 N4 O4 Zn2 -","- C100 H88 Cl4 N4 O4 Zn2 -","- C200 H176 Cl8 N8 O8 Zn4 -","2","1","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.71073","MoKα","","0.2581","0.132","","","0.3165","0.4546","","","","","","1.086","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247224","10.9842","0.0003","7.9342","0.0002","25.1271","0.0007","90","","91.717","0.002","90","","2188.86","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C48 H144 Cl24 N24 -","8","2","","Hu, Zheng-Hui; Gong, Chen; Sun, Shu-Qi; Liu, Xin-Yu; Gao, Ji-Xing","High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride","CrystEngComm","2023","25","37","5304","5309","10.1039/D3CE00706E","","","0.71073","MoKα","","0.0583","0.0508","","","0.1302","0.134","","","","","","1.001","","","","has coordinates","286725","2023-10-06","00:02:46",""
"7247225","8.0176","0.0006","8.0176","0.0006","15.1832","0.0012","90","","90","","120","","845.25","0.11","403","2","403","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C18 H54 Cl9 N9 -","3","0.0833333","","Hu, Zheng-Hui; Gong, Chen; Sun, Shu-Qi; Liu, Xin-Yu; Gao, Ji-Xing","High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride","CrystEngComm","2023","25","37","5304","5309","10.1039/D3CE00706E","","","0.71073","MoKα","","0.1271","0.1164","","","0.3415","0.3539","","","","","","1.002","","","","has coordinates","286725","2023-10-06","00:02:47",""
"7247228","7.8341","0.0005","10.1533","0.0006","14.2642","0.0009","90","","90","","90","","1134.6","0.12","293","10","293","10","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Br3 F N Pb -","- C5 H11 Br3 F N Pb -","- C20 H44 Br12 F4 N4 Pb4 -","4","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","x-ray","0.71073","MoKα","","0.079","0.0658","","","0.1615","0.1687","","","","","","1.011","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247229","12.205","0.0003","12.205","0.0003","51.295","0.003","90","","90","","90","","7641","0.5","293","2","293","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C20 H40 Br8 F8 N4 Pb2 -","- C20 H40 Br8 F8 N4 Pb2 -","- C160 H320 Br64 F64 N32 Pb16 -","8","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","","0.71073","MoKα","","0.0979","0.071","","","0.1473","0.1575","","","","","","1.04","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247230","6.1745","0.0003","6.8716","0.0003","28.3078","0.0012","90","","96.189","0.004","90","","1194.06","0.09","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","0.5","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0453","0.041","","","0.0947","0.0958","","","","","","1.381","","","","has coordinates,has disorder","286735","2023-10-06","00:05:06",""
"7247231","6.0569","0.0001","6.933","0.0001","28.5038","0.0003","90","","90","","90","","1196.95","0.03","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0306","0.0306","","","0.0843","0.0843","","","","","","1.187","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247232","56.5791","0.001","6.894","0.0001","6.1018","0.0001","90","","90","","90","","2380.05","0.07","103","2","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0544","0.054","","","0.1193","0.1194","","","","","","1.375","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247233","55.8702","0.001","6.9161","0.0002","6.1083","0.0001","90","","90","","90","","2360.27","0.09","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.1201","0.1145","","","0.258","0.2599","","","","","","1.171","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247234","27.8584","0.0009","6.8627","0.0003","6.1547","0.0002","90","","95.84","0.003","90","","1170.57","0.07","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C52 H36 Br4 Cl4 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.075","0.0662","","","0.1266","0.1299","","","","","","1.174","","","","has coordinates,has disorder","286735","2023-10-06","00:05:07",""
"7247235","56.4542","0.0012","6.902","0.0002","6.1053","0.0001","90","","90","","90","","2378.91","0.09","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0431","0.0391","","","0.0958","0.0976","","","","","","1.116","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247246","5.5038","0.0003","15.3084","0.0009","9.9468","0.0006","90","","92.58","0.002","90","","837.21","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu N4 O6 -","- C16 H14 Cu N4 O6 -","- C32 H28 Cu2 N8 O12 -","2","0.5","","Li, Wen-Ze; Li, Jing; Zhao, Hong-Tian; Zhang, Xiao-Sa; Liu, Yu; Liu, Zhi-Tong; Fu, Hong-Xin; Luan, Jian","Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu2O heterojunction for an enhanced dye removal capacity","CrystEngComm","2023","25","37","5351","5361","10.1039/D3CE00684K","","","0.71073","MoKα","","0.0619","0.0398","","","0.0736","0.0806","","","","","","1.011","","","","has coordinates","286726","2023-10-06","00:02:55",""
"7247247","9.791","0.0015","6.3116","0.001","28.379","0.004","90","","93.082","0.004","90","","1751.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu N4 O6 -","- C20 H14 Cu N4 O6 -","- C80 H56 Cu4 N16 O24 -","4","1","","Li, Wen-Ze; Li, Jing; Zhao, Hong-Tian; Zhang, Xiao-Sa; Liu, Yu; Liu, Zhi-Tong; Fu, Hong-Xin; Luan, Jian","Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu2O heterojunction for an enhanced dye removal capacity","CrystEngComm","2023","25","37","5351","5361","10.1039/D3CE00684K","","","0.71073","MoKα","","0.1349","0.0608","","","0.0992","0.1214","","","","","","1","","","","has coordinates","286726","2023-10-06","00:02:56",""
"7247254","18.711","0.005","20.882","0.006","21.381","0.006","110.987","0.009","114.356","0.009","99.657","0.009","6599","3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C192 Ag45 Br6 F24 Sb4 -","- C192 Ag45 Br6 F24 Sb4 -","- C192 Ag45 Br6 F24 Sb4 -","1","0.5","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1824","0.1302","","","0.3554","0.402","","","","","","1.432","","","","has coordinates","286740","2023-10-06","00:06:13",""
"7247255","19.854","0.004","20.442","0.004","20.492","0.004","102.885","0.006","116.443","0.005","108.691","0.006","6365","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C192 H288 Ag45 Cl6 F24 Sb4 -","- C192 H288 Ag45 Cl6 F24 Sb4 -","- C192 H288 Ag45 Cl6 F24 Sb4 -","1","0.5","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.2004","0.1303","","","0.3589","0.4174","","","","","","1.352","","","","has coordinates","286740","2023-10-06","00:06:13",""
"7247256","30.517","0.004","30.517","0.004","35.19","0.006","90","","90","","90","","32772","8","150","","150","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C360 H540 Ag148 Br30 S26 -","- C360 H540 Ag148 Br30 S26 -","- C720 H1080 Ag296 Br60 S52 -","2","0.125","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1586","0.1233","","","0.3418","0.3783","","","","","","1.511","","","","has coordinates,has disorder","286740","2023-10-06","00:06:13",""
"7247266","22.261","0.003","14.2526","0.0016","7.7279","0.0011","90","","108.177","0.005","90","","2329.5","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 Ag N4 O3 -","- C7 H10 Ag N4 O3 -","- C56 H80 Ag8 N32 O24 -","8","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.1131","0.0893","","","0.2077","0.2186","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247267","12.7466","0.001","17.0131","0.0012","6.1821","0.0004","90","","90","","90","","1340.65","0.17","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 -","- C14 H20 N6 -","- C56 H80 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0831","0.0649","","","0.1183","0.125","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247268","15.4247","0.0006","9.6024","0.0004","10.6881","0.0005","90","","98.793","0.002","90","","1564.45","0.12","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 F6 O6 S2 -","- C10 H14 F6 O6 S2 -","- C40 H56 F24 O24 S8 -","4","0.5","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.028","0.025","","","0.0627","0.0642","","","","","","1.094","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247269","6.6612","0.0006","7.092","0.0007","15.1212","0.0015","94.455","0.004","98.312","0.003","90.959","0.004","704.42","0.12","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 F6 N8 O6 S2 -","- C20 H26 F6 N8 O6 S2 -","- C20 H26 F6 N8 O6 S2 -","1","0.5","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","","0.71073","MoKα","","0.0558","0.047","","","0.1156","0.1208","","","","","","1.049","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247270","12.5507","0.0004","12.907","0.0005","9.9446","0.0004","90","","108.336","0.001","90","","1529.15","0.1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ag N7 O3 -","- C12 H18 Ag N7 O3 -","- C48 H72 Ag4 N28 O12 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0202","0.0172","","","0.0399","0.0415","","","","","","1.031","","","","has coordinates,has disorder","286739","2023-10-06","00:05:56",""
"7247271","8.4768","0.0017","10.883","0.002","13.588","0.003","90","","92.07","0.007","90","","1252.7","0.4","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N6 -","- C12 H18 N6 -","- C48 H72 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0464","0.0403","","","0.0953","0.0981","","","","","","1.136","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247272","27.7261","0.0008","27.7261","0.0008","28.5384","0.0008","90","","90","","90","","21938.5","1.1","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C33 H53 N7 O16 S4 Zn2 -","- C22 H14 N3 O8 S4 Zn2 -","- C352 H224 N48 O128 S64 Zn32 -","16","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0953","0.0642","","","0.1815","0.2136","","","","","","1.059","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7247273","13.3634","0.0004","13.3634","0.0004","30.7634","0.0009","90","","90","","90","","5493.7","0.3","299","2","299","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H21 N7 O7 S2 Zn2 -","- C14 H10 N6 O4 S2 Zn2 -","- C112 H80 N48 O32 S16 Zn16 -","8","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0412","0.0399","","","0.121","0.1221","","","","","","1.081","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7247275","19.06366","0.0001","9.17342","0.00006","24.46359","0.00014","90","","96.298","0.0005","90","","4252.35","0.04","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cu F3 N6 O3 P2 S -","- C46 H36 Cu F3 N6 O3 P2 S -","- C184 H144 Cu4 F12 N24 O12 P8 S4 -","4","1","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","x-ray","1.54184","CuKα","","0.0326","0.0309","","","0.0814","0.0825","","","","","","1.048","","","","has coordinates","286746","2023-10-06","00:08:16",""
"7247276","13.589","0.003","18.55","0.004","24.627","0.005","80.807","0.003","89.307","0.003","89.793","0.005","6128","2","118","2","118","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H44 Ag2 F6 N6 O6 P2 S2 -","- C57 H44 Ag2 F6 N6 O6 P2 S2 -","- C228 H176 Ag8 F24 N24 O24 P8 S8 -","4","2","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","","0.71073","MoKα","","0.087","0.0578","","","0.1248","0.1429","","","","","","1.039","","","","has coordinates","286746","2023-10-06","00:08:16",""
"7247277","13.9056","0.0002","22.9786","0.0002","14.7403","0.0002","90","","116.689","0.002","90","","4208.17","0.12","172.97","0.1","172.97","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Ag F3 N6 O3 P2 S -","- C46 H36 Ag F3 N6 O3 P2 S -","- C184 H144 Ag4 F12 N24 O12 P8 S4 -","4","1","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","x-ray","1.54184","CuKα","","0.0737","0.0687","","","0.1864","0.1911","","","","","","1.075","","","","has coordinates,has disorder","286746","2023-10-06","00:08:16",""
"7247278","3.889","0.002","13.249","0.008","14.043","0.009","90","","91.986","0.009","90","","723.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","","Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin","Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting","CrystEngComm","2023","25","38","5479","5485","10.1039/D3CE00725A","","","0.71073","MoKα","","0.0685","0.0562","","","0.1779","0.1929","","","","","","1.154","","","","has coordinates","286745","2023-10-06","00:07:56",""
"7247279","22.75","0.007","3.8166","0.0011","17.211","0.005","90","","101.691","0.004","90","","1463.4","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C56 H56 B8 O24 -","8","1","","Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin","Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting","CrystEngComm","2023","25","38","5479","5485","10.1039/D3CE00725A","","","0.71073","MoKα","","0.0585","0.0439","","","0.1252","0.1377","","","","","","1.009","","","","has coordinates","286745","2023-10-06","00:07:56",""
"7247280","18.046","0.0012","8.3234","0.0005","18.3738","0.0012","90","","118.457","0.003","90","","2426.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 Se2 -","- C12 H12 N2 Se2 -","- C96 H96 N16 Se16 -","8","2","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0694","0.0373","","","0.0609","0.0669","","","","","","0.977","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247281","11.563","0.006","17.139","0.008","4.8436","0.0019","90","","90","","90","","959.9","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C32 H16 N8 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.1206","0.0688","","","0.1798","0.2156","","","","","","1.049","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247282","9.117","0.0012","4.0552","0.0005","11.8113","0.0013","90","","95.91","0.005","90","","434.36","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C16 H8 N4 Se4 -","2","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0214","0.0184","","","0.0422","0.0435","","","","","","1.114","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247283","11.2833","0.0019","18.088","0.003","4.056","0.0007","90","","90","","90","","827.8","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H2 N2 S Se2 -","- C6 H2 N2 S Se2 -","- C24 H8 N8 S4 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0194","0.0182","","","0.0449","0.0453","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247284","7.4494","0.0015","9.201","0.002","12.306","0.003","74.58","0.008","89.306","0.007","88.669","0.007","812.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H23 N7 Se4 -","- C34 H23 N7 Se4 -","- C34 H23 N7 Se4 -","1","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0361","0.032","","","0.0759","0.0783","","","","","","1.136","","","","has coordinates,has disorder","286729","2023-10-06","00:03:34",""
"7247285","8.8342","0.0015","14.079","0.003","7.6447","0.0014","90","","110.592","0.007","90","","890.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 Se2 -","- C20 H14 N4 Se2 -","- C40 H28 N8 Se4 -","2","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.021","0.0194","","","0.0498","0.0507","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247286","8.3175","0.0007","9.85","0.0005","7.6668","0.0005","90","","101.728","0.007","90","","615.01","0.07","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 I N -","- C7 H10 Cl4 I N -","- C14 H20 Cl8 I2 N2 -","2","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","x-ray","0.71073","MoKα","","0.0557","0.0392","","","0.0905","0.1035","","","","","","1.045","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247287","4.3707","0.0003","11.8303","0.0009","11.8442","0.001","90","","92.985","0.003","90","","611.59","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 I N -","- C7 H10 Cl4 I N -","- C14 H20 Cl8 I2 N2 -","2","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0242","0.0191","","","0.0415","0.0432","","","","","","1.04","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247288","7.4887","0.0005","7.6756","0.0005","8.0494","0.0005","93.199","0.002","110.363","0.002","95.058","0.003","430.22","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl5 I N2 -","- C12 H14 Cl5 I N2 -","- C12 H14 Cl5 I N2 -","1","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0293","0.0282","","","0.0619","0.0625","","","","","","1.079","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247289","17.4476","0.0006","9.9715","0.0004","7.8504","0.0003","90","","102.6","0.001","90","","1332.91","0.09","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl4 I N -","- C8 H12 Cl4 I N -","- C32 H48 Cl16 I4 N4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.022","0.0166","","","0.0351","0.0365","","","","","","1.058","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247290","16.4343","0.0005","16.4343","0.0005","11.4451","0.0004","90","","90","","120","","2677.03","0.15","140","0.1","140","0.1","","","","","","","","5","P 32","P 32","145","","","","- C4 H12 Cl4 I N -","- C4 H12 Cl4 I N -","- C36 H108 Cl36 I9 N9 -","9","3","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0399","0.0353","","","0.0614","0.0643","","","","","","1.027","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247291","8.4156","0.0004","16.0769","0.0006","10.9381","0.0004","90","","103.705","0.004","90","","1437.75","0.1","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cl4 I N -","- C9 H14 Cl4 I N -","- C36 H56 Cl16 I4 N4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","x-ray","0.71073","MoKα","","0.0366","0.0281","","","0.043","0.0468","","","","","","1.042","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247292","11.5876","0.0008","11.5876","0.0008","16.4371","0.0015","90","","90","","90","","2207.1","0.3","150","2","150","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C12 H14 Cl8 I2 N2 -","- C12 H14 Cl8 I2 N2 -","- C48 H56 Cl32 I8 N8 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0398","0.03","","","0.0525","0.057","","","","","","1.027","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247293","11.3598","0.0015","8.5116","0.0011","15.14","0.002","90","","110.486","0.004","90","","1371.3","0.3","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl4 I N -","- C8 H12 Cl4 I N -","- C32 H48 Cl16 I4 N4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0517","0.0406","","","0.0966","0.1035","","","","","","1.031","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247294","8.2044","0.0002","9.6553","0.0003","8.2874","0.0002","90","","105.887","0.001","90","","631.42","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H7 Cl5 I N -","- C6 H7 Cl5 I N -","- C12 H14 Cl10 I2 N2 -","2","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.015","0.0145","","","0.0336","0.0338","","","","","","1.053","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247303","20.1166","0.0014","10.6178","0.0007","16.0756","0.0011","90","","108.39","0.0012","90","","3258.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29.2 H27.6 O14.6 Zn3 -","- C29.2 H27.6 O14.6 Zn3 -","- C116.8 H110.4 O58.4 Zn12 -","4","0.5","","Toledo-Jaldín, Helen Paola; Pinzón-Vanegas, Cristian; León-Gómez, Juan Pablo; Blanco Flores, Alien; Martínez-Otero, Diego; Reyes Domínguez, Iván A.; Canseco-González, Daniel; Rosales-Vázquez, Luis D.; Salomón-Flores, María K.; Dorazco-González, Alejandro","Sensitive luminescent chemosensing of fluoride based on Eu-doped Zn-LMOF in aqueous media: structural and spectroscopic studies","CrystEngComm","2023","25","26","3766","3776","10.1039/D3CE00434A","","","0.71073","MoKα","","0.0488","0.0456","","","0.123","0.1257","","","","","","1.068","","","","has coordinates,has disorder","285984","2023-09-04","09:35:59",""
"7247304","15.3926","0.0004","54.654","0.0013","16.2237","0.0004","90","","90","","90","","13648.5","0.6","296","2","296","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H37 Co N4 O8.5 -","- C34 H34 Co N4 O8.5 -","- C544 H544 Co16 N64 O136 -","16","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0903","0.0469","","","0.1148","0.1388","","","","","","1.009","","","","has coordinates,has disorder","287340","2023-11-06","07:25:50",""
"7247305","14.3467","0.0003","24.9926","0.0004","17.2868","0.0003","90","","101.204","0.001","90","","6080.25","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 Co2 N7 O15 -","- C57 H63 Co2 N7 O15 -","- C228 H252 Co8 N28 O60 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1547","0.0758","","","0.2027","0.2461","","","","","","1.015","","","","has coordinates,has disorder","287340","2023-11-06","07:25:53",""
"7247306","27.658","0.0009","11.2065","0.0004","24.7275","0.0008","90","","114.988","0.0016","90","","6946.9","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Co N4 O9.5 S -","- C34 H37 Co N4 O9.5 S -","- C272 H296 Co8 N32 O76 S8 -","8","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0531","0.0357","","","0.1066","0.1222","","","","","","1.043","","","","has coordinates","287340","2023-11-06","07:25:56",""
"7247307","12.7831","0.0007","14.0167","0.001","13.2901","0.001","90","","93.441","0.003","90","","2377","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N2 O6 -","- C25 H25 Co N2 O6 -","- C100 H100 Co4 N8 O24 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1117","0.0512","","","0.0877","0.1023","","","","","","1.023","","","","has coordinates","287340","2023-11-06","07:26:06",""
"7247308","14.1784","0.0004","28.3482","0.0007","11.4749","0.0003","90","","103.114","0.0012","90","","4491.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Co N4 O11 S -","- C38 H30 Co N4 O11 S -","- C152 H120 Co4 N16 O44 S4 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1553","0.061","","","0.1208","0.1438","","","","","","1.009","","","","has coordinates","287340","2023-11-06","07:26:06",""
"7247309","11.8533","0.0002","14.3536","0.0003","18.8237","0.0004","90","","94.5365","0.0012","90","","3192.58","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Co N4 O8 -","- C31 H32 Co N4 O8 -","- C124 H128 Co4 N16 O32 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1117","0.0604","","","0.1471","0.1689","","","","","","1.03","","","","has coordinates","287340","2023-11-06","07:26:09",""
"7247310","21.6886","0.001","12.8559","0.0007","20.7441","0.0011","90","","103.494","0.003","90","","5624.3","0.5","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Co N2 O9 S -","- C24 H21 Co N2 O9 S -","- C192 H168 Co8 N16 O72 S8 -","8","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1104","0.0784","","","0.2166","0.2383","","","","","","1.082","","","","has coordinates,has disorder","287340","2023-11-06","07:26:18",""
"7247311","11.3937","0.0003","22.6845","0.0005","13.7311","0.0003","90","","93.2983","0.0012","90","","3543.07","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Co N4 O11 -","- C39 H36 Co N4 O11 -","- C156 H144 Co4 N16 O44 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0659","0.0593","","","0.1794","0.1848","","","","","","1.036","","","","has coordinates","287340","2023-11-06","07:26:21",""
"7247312","12.8615","0.0004","13.3572","0.0004","13.9703","0.0004","71.1164","0.0014","76.1766","0.0014","88.4604","0.0015","2201.74","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Co N4 O9 -","- C38 H28 Co N4 O9 -","- C76 H56 Co2 N8 O18 -","2","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0587","0.038","","","0.0919","0.0987","","","","","","1.058","","","","has coordinates","287340","2023-11-06","07:26:31",""
"7247313","21.402","0.005","7.777","0.0017","23.478","0.005","90","","90","","90","","3907.8","1.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H30 Co F6 N4 O9 -","- C41 H30 Co F6 N4 O9 -","- C164 H120 Co4 F24 N16 O36 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0993","0.0672","","","0.1627","0.1807","","","","","","1.05","","","","has coordinates","287340","2023-11-06","07:26:34",""
"7247314","9.4393","0.001","11.7938","0.0012","12.8424","0.0012","75.714","0.003","89.665","0.003","77.614","0.003","1351.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-chloro-phenoxymethyl)mesitylene","","- C30 H27 Cl3 O3 -","- C30 H27 Cl3 O3 -","- C60 H54 Cl6 O6 -","2","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1039","0.0731","","","0.159","0.1749","","","","","","1.087","","","","has coordinates","287343","2023-11-06","07:27:40",""
"7247315","9.645","0.003","12.616","0.004","14.168","0.005","106.195","0.01","93.337","0.01","93.16","0.009","1648.2","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-iodo-phenoxymethyl)mesitylene","","- C30 H27 I3 O3 -","- C30 H27 I3 O3 -","- C60 H54 I6 O6 -","2","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1102","0.0798","","","0.1896","0.2059","","","","","","1.067","","","","has coordinates,has disorder","287343","2023-11-06","07:27:40",""
"7247316","30.916","0.01","8.682","0.003","25.527","0.008","90","","119.415","0.011","90","","5968","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5-tris(4-cyano-phenoxymethyl)mesitylene","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C264 H216 N24 O24 -","8","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1527","0.0999","","","0.2278","0.2567","","","","","","1.095","","","","has coordinates,has disorder","287343","2023-11-06","07:27:40",""
"7247317","9.4811","0.0015","12.591","0.002","13.809","0.002","107.591","0.005","95.204","0.005","91.591","0.005","1562.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-bromo-phenoxymethyl)mesitylene","","- C63 H60 Br6 O7 -","- C63 H60 Br6 O7 -","- C63 H60 Br6 O7 -","1","0.5","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1257","0.0839","","","0.2442","0.2816","","","","","","1.044","","","","has coordinates","287343","2023-11-06","07:27:40",""
"7247326","11.0587","0.0004","11.8069","0.0005","14.601","0.0006","78.679","0.001","76.705","0.001","77.663","0.001","1790.65","0.12","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 F3 N9 O4 S -","- C37 H36 F3 N9 O4 S -","- C74 H72 F6 N18 O8 S2 -","2","1","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.0688","0.0603","","","0.1647","0.1766","","","","","","1.085","","","","has coordinates","287342","2023-11-06","07:27:01",""
"7247327","9.3626","0.0003","18.0718","0.0008","19.7247","0.0009","90","","94.683","0.001","90","","3326.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 F3 N9 O4 S -","- C34 H32 F3 N9 O4 S -","- C136 H128 F12 N36 O16 S4 -","4","1","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.0678","0.0507","","","0.1169","0.1262","","","","","","1.048","","","","has coordinates","287342","2023-11-06","07:27:05",""
"7247328","10.125","0.011","18.32","0.02","20.77","0.02","68.4","0.04","89.7","0.04","81.04","0.04","3533","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 F3 N9 O4 S -","- C37 H36 F3 N9 O4 S -","- C148 H144 F12 N36 O16 S4 -","4","2","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.1159","0.1099","","","0.324","0.3363","","","","","","1.568","","","","has coordinates","287342","2023-11-06","07:27:15",""
"7247329","21.7912","0.0013","20.2706","0.0013","10.2341","0.0006","90","","102.939","0.002","90","","4405.8","0.5","120","2","120.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Mn3 N15 O13 -","- C33 H39 Mn3 N15 O13 -","- C132 H156 Mn12 N60 O52 -","4","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.0898","0.0546","","","0.1495","0.1674","","","","","","1.049","","","","has coordinates,has disorder","287341","2023-11-06","07:26:52",""
"7247330","10.7765","0.0009","13.3012","0.0011","11.2337","0.001","90","","98.472","0.003","90","","1592.7","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Mn2 N12 O10 -","- C28 H28 Mn2 N12 O10 -","- C56 H56 Mn4 N24 O20 -","2","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.056","0.0368","","","0.1207","0.1359","","","","","","1.026","","","","has coordinates","287341","2023-11-06","07:26:52",""
"7247331","10.6758","0.0013","12.4221","0.0015","19.041","0.002","82.315","0.001","79.293","0.002","72.475","0.001","2357.8","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H93 Mn6 N24 O32.5 S8 -","- C64 H93 Mn6 N24 O32.5 S8 -","- C64 H93 Mn6 N24 O32.5 S8 -","1","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.0944","0.0776","","","0.2045","0.2152","","","","","","1.018","","","","has coordinates,has disorder","287341","2023-11-06","07:26:52",""
"7247341","10.7721","0.0003","13.5889","0.0004","13.8513","0.0005","86.809","0.003","74.723","0.003","72.872","0.003","1868.64","0.11","150","2","149.9","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C44 H35 Fe N Ni O P2 S2 -","- C44 H35 Fe N Ni O P2 S2 -","- C88 H70 Fe2 N2 Ni2 O2 P4 S4 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","0.71073","MoKα","","0.0544","0.0401","","","0.0878","0.0944","","","","","","1.041","","","","has coordinates","287344","2023-11-06","07:27:49",""
"7247342","14.3705","0.0002","17.2455","0.0002","16.2961","0.0002","90","","101.34","0.0013","90","","3959.77","0.09","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 Fe N Ni O P2 S2 -","- C44 H35 Fe N Ni O P2 S2 -","- C176 H140 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","1.54184","CuKα","","0.0674","0.0593","","","0.1536","0.1593","","","","","","1.065","","","","has coordinates","287344","2023-11-06","07:27:50",""
"7247343","13.944","0.0004","14.063","0.0004","19.8997","0.0006","90","","104.471","0.003","90","","3778.4","0.2","150","2","149.9","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H74 Fe2 N2 Ni2 O3 P4 S4 -","- C89 H74 Fe2 N2 Ni2 O3 P4 S4 -","- C178 H148 Fe4 N4 Ni4 O6 P8 S8 -","2","0.5","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","0.71073","MoKα","","0.0743","0.0495","","","0.095","0.1058","","","","","","1.022","","","","has coordinates,has disorder","287344","2023-11-06","07:27:50",""
"7247344","25.212","0.0009","11.5626","0.0006","11.6676","0.0006","90","","90.114","0.005","90","","3401.3","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C152 H104 Cu4 N8 P4 S16 -","4","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1501","0.0615","","","0.1092","0.1287","","","","","","0.946","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247345","24.9983","0.0007","11.6753","0.0003","11.664","0.0003","90","","90.396","0.001","90","","3404.2","0.16","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N2 Ni P S4 -","- C38 H26 N2 Ni P S4 -","- C152 H104 N8 Ni4 P4 S16 -","4","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0623","0.0456","","","0.1107","0.1198","","","","","","1.076","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247346","9.6337","0.0003","10.8969","0.0003","13.2465","0.0004","80.138","0.001","89.456","0.001","87.27","0.001","1368.48","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","1","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0482","0.0345","","","0.0834","0.0884","","","","","","1.042","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247347","7.7936","0.0004","15.7909","0.0009","14.0517","0.0008","90","","95.771","0.002","90","","1720.55","0.16","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C76 H52 Cu2 N4 P2 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1085","0.0484","","","0.0682","0.078","","","","","","0.925","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247348","13.5065","0.0008","14.3303","0.0009","14.8428","0.001","86.334","0.002","77.455","0.002","70.668","0.002","2646.1","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","- C124 H92 N4 Ni2 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1732","0.0675","","","0.1232","0.1466","","","","","","0.934","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247349","11.2071","0.0004","12.4949","0.0005","20.7404","0.0008","84.392","0.001","80.941","0.001","76.747","0.001","2785.96","0.18","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 N3 Ni P2 S4 -","- C64 H49 N3 Ni P2 S4 -","- C128 H98 N6 Ni2 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0776","0.0504","","","0.1002","0.1099","","","","","","1.067","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247350","13.5644","0.0005","14.4462","0.0005","14.8839","0.0005","86.177","0.001","76.389","0.001","70.747","0.001","2675.92","0.16","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","- C124 H92 Cu2 N4 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0878","0.0433","","","0.0886","0.0998","","","","","","1.016","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247351","9.6136","0.0004","10.9075","0.0005","13.3709","0.0006","79.764","0.001","89.324","0.001","87.292","0.001","1378.21","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","1","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0747","0.0449","","","0.0865","0.0987","","","","","","1.055","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247360","9.3792","0.0004","9.3792","0.0004","22.4879","0.0009","90","","90","","120","","1713.21","0.12","100","","100","","","","","","","","","5","P 61","P 61","169","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0327","0.0284","","","0.0453","0.0463","","","","","","1.004","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7247361","9.3938","0.0003","9.3938","0.0003","22.5064","0.0008","90","","90","","120","","1719.96","0.1","100.02","","100.02","","","","","","","","","5","P 65","P 65","170","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0312","0.0277","","","0.0465","0.0474","","","","","","1.027","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7247362","9.5668","0.0003","23.3692","0.0006","17.0992","0.0003","90","","90","","90","","3822.84","0.17","150.01","0.1","150.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H39 Cd3 N3 O15 -","- C39 H39 Cd3 N3 O15 -","- C156 H156 Cd12 N12 O60 -","4","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","x-ray","1.54184","CuKα","","0.0724","0.0517","","","0.1182","0.1266","","","","","","0.961","","","","has coordinates","286747","2023-10-06","00:08:25",""
"7247364","25.615","0.003","14.6148","0.0017","24.466","0.002","90","","113.576","0.004","90","","8394.5","1.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Dy N O59 P7 W12 -","- C32 H77 Dy N O59 P7 W12 -","- C128 H308 Dy4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.2048","0.1173","","","0.2661","0.311","","","","","","1.097","","","","has coordinates","287330","2023-11-06","07:19:35",""
"7247365","25.749","0.002","14.669","0.0013","24.645","0.003","90","","113.558","0.005","90","","8532.9","1.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Ho N O59 P7 W12 -","- C32 H77 Ho N O59 P7 W12 -","- C128 H308 Ho4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.155","0.0698","","","0.1308","0.1517","","","","","","1.07","","","","has coordinates","287330","2023-11-06","07:19:41",""
"7247366","25.235","0.003","14.4532","0.0016","24.186","0.003","90","","113.447","0.005","90","","8092.9","1.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 N O59 P7 Tm W12 -","- C32 H77 N O59 P7 Tm W12 -","- C128 H308 N4 O236 P28 Tm4 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1695","0.0886","","","0.198","0.2335","","","","","","1.077","","","","has coordinates","287330","2023-11-06","07:19:55",""
"7247367","25.633","0.002","14.6214","0.0011","24.546","0.002","90","","113.451","0.004","90","","8439.7","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 N O59 P7 W12 Yb -","- C32 H77 N O59 P7 W12 Yb -","- C128 H308 N4 O236 P28 W48 Yb4 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1408","0.0646","","","0.1169","0.1341","","","","","","1.08","","","","has coordinates","287330","2023-11-06","07:20:11",""
"7247368","25.703","0.002","14.6812","0.0013","24.6","0.002","90","","113.535","0.004","90","","8510.7","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Er N O59 P7 W12 -","- C32 H77 Er N O59 P7 W12 -","- C128 H308 Er4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1433","0.0655","","","0.1175","0.1329","","","","","","1.063","","","","has coordinates","287330","2023-11-06","07:20:26",""
"7247369","25.34","0.002","14.4644","0.0013","24.289","0.002","90","","113.49","0.005","90","","8164.8","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Lu N O59 P7 W12 -","- C32 H77 Lu N O59 P7 W12 -","- C128 H308 Lu4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1369","0.0679","","","0.1305","0.1496","","","","","","1.018","","","","has coordinates","287330","2023-11-06","07:20:40",""
"7247370","19.7847","0.0006","10.1109","0.0003","35.7831","0.0012","90","","90.6793","0.0016","90","","7157.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 O16 U2 -","- C30 H38 N2 O16 U2 -","- C240 H304 N16 O128 U16 -","8","2","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0534","0.0435","","","0.0891","0.0932","","","","","","1.123","","","","has coordinates,has disorder","287346","2023-11-06","07:28:11",""
"7247371","11.6695","0.0004","12.5806","0.0005","14.2442","0.0004","87.165","0.0013","88.3831","0.0012","84.6902","0.0015","2079.07","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O24 U4 -","- C34 H32 N2 O24 U4 -","- C68 H64 N4 O48 U8 -","2","1","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0229","0.0217","","","0.0521","0.0526","","","","","","1.102","","","","has coordinates","287346","2023-11-06","07:28:11",""
"7247372","9.7035","0.0006","9.714","0.0006","10.6933","0.0007","79.359","0.004","75.201","0.003","71.662","0.003","919.03","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O16 U2 -","- C36 H24 N2 O16 U2 -","- C36 H24 N2 O16 U2 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0318","0.0298","","","0.0753","0.0769","","","","","","1.069","","","","has coordinates","287346","2023-11-06","07:28:11",""
"7247373","11.3984","0.0003","11.401","0.0004","21.9898","0.0009","88.8056","0.0015","79.8563","0.0013","60.8371","0.001","2449.37","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N8 O54 U5 -","- C72 H86 N8 O54 U5 -","- C72 H86 N8 O54 U5 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0287","0.0245","","","0.0497","0.0515","","","","","","1.049","","","","has coordinates,has disorder","287346","2023-11-06","07:28:11",""
"7247374","7.0461","0.0007","7.5519","0.0006","9.8725","0.0009","96.563","0.006","102.071","0.006","108.791","0.005","476.88","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C16 H16 N8 O8 -","2","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","1.54178","CuKα","","0.0407","0.0365","","","0.0976","0.1019","","","","","","1.067","","","","has coordinates","286749","2023-10-06","00:08:40",""
"7247375","23.936","0.002","5.1742","0.0005","7.7436","0.0007","90","","90","","90","","959.04","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","0.71073","MoKα","","0.0892","0.0345","","","0.0591","0.0693","","","","","","0.827","","","","has coordinates","286749","2023-10-06","00:08:41",""
"7247376","4.9852","0.0003","9.8017","0.0006","10.6338","0.0007","67.729","0.004","86.664","0.004","83.011","0.004","477.23","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C16 H16 N8 O8 -","2","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","1.54178","CuKα","","0.0614","0.0575","","","0.1578","0.1623","","","","","","1.094","","","","has coordinates,has disorder","286749","2023-10-06","00:08:41",""
"7247393","10.1442","0.0005","10.9745","0.0006","17.6401","0.0009","86.956","0.003","83.873","0.003","88.591","0.002","1949.5","0.18","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 Cu3 I5 N4 -","- C28 H42 Cu3 I5 N4 -","- C56 H84 Cu6 I10 N8 -","2","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.097","0.0817","","","0.2356","0.2512","","","","","","1.085","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247394","15.6992","0.0012","16.7737","0.0012","12.7912","0.0009","90","","107.856","0.004","90","","3206.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cu2 F2 I4 N4 -","- C26 H36 Cu2 F2 I4 N4 -","- C104 H144 Cu8 F8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.1132","0.0413","","","0.049","0.0587","","","","","","0.784","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247395","16.3175","0.0004","16.9139","0.0005","12.8313","0.0003","90","","107.318","0.002","90","","3380.8","0.16","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Br2 Cu2 I4 N4 -","- C26 H36 Br2 Cu2 I4 N4 -","- C104 H144 Br8 Cu8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.1205","0.0418","","","0.0627","0.0798","","","","","","0.674","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247396","7.9774","0.0011","8.6192","0.0013","14.768","0.002","81.554","0.004","85.562","0.004","84.147","0.004","997.2","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cu4 I8 N4 -","- C26 H36 Cu4 I8 N4 -","- C26 H36 Cu4 I8 N4 -","1","0.5","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.0584","0.0457","","","0.1185","0.1272","","","","","","1.04","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247397","16.048","0.0005","16.8794","0.0005","12.8451","0.0004","90","","107.618","0.002","90","","3316.29","0.18","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl2 Cu2 I4 N4 -","- C26 H36 Cl2 Cu2 I4 N4 -","- C104 H144 Cl8 Cu8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.0543","0.0328","","","0.0616","0.0683","","","","","","1.01","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247398","9.82977","0.00006","22.43648","0.00014","13.79565","0.00009","90","","108.608","0.0007","90","","2883.51","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 O21 Yb5 -","- C24 H12 O21 Yb5 -","- C96 H48 O84 Yb20 -","4","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.081","0.0813","","","","","","1.1","","","","has coordinates","287348","2023-11-06","07:28:49",""
"7247399","7.7973","0.0003","9.4775","0.0004","10.6851","0.0004","68.823","0.004","70.748","0.003","74.995","0.003","686.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O9 Yb -","- C12 H12 O9 Yb -","- C24 H24 O18 Yb2 -","2","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","0.71073","MoKα","","0.023","0.021","","","0.0471","0.0477","","","","","","1.05","","","","has coordinates,has disorder","287348","2023-11-06","07:29:02",""
"7247400","9.59605","0.0001","26.1011","0.0003","37.7873","0.0004","90","","90","","90","","9464.49","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H36 O30 Yb4 -","- C48 H36 O30 Yb4 -","- C384 H288 O240 Yb32 -","8","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0444","0.0344","","","0.0836","0.086","","","","","","1.076","","","","has coordinates","287348","2023-11-06","07:29:13",""
"7247401","13.989","0.003","7.878","0.0019","19.624","0.005","90","","101.67","0.007","90","","2118","0.9","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O8 S -","- C22 H20 N2 O8 S -","- C88 H80 N8 O32 S4 -","4","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0968","0.0577","","","0.1309","0.1466","","","","","","1.039","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247402","8.3923","0.0012","8.5678","0.0012","12.9934","0.0018","79.779","0.003","75.701","0.003","78.675","0.003","879.5","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O8 S -","- C19 H14 N2 O8 S -","- C38 H28 N4 O16 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0452","0.0397","","","0.1053","0.1097","","","","","","1.046","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247403","8.4052","0.0013","9.4814","0.0014","13.366","0.002","102.279","0.004","106.083","0.004","94.691","0.004","988.8","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N3 O8 S -","- C18 H20 N3 O8 S -","- C36 H40 N6 O16 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0569","0.0463","","","0.1252","0.1327","","","","","","1.054","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247404","7.5645","0.0008","11.3096","0.0012","18.1129","0.0019","95.837","0.003","97.142","0.003","99.33","0.003","1505.4","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N4 O13 S3 -","- C26 H28 N4 O13 S3 -","- C52 H56 N8 O26 S6 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.1536","0.0857","","","0.1953","0.2262","","","","","","0.986","","","","has coordinates,has disorder","286748","2023-10-06","00:08:34",""
"7247405","5.6484","0.0004","8.1619","0.0006","15.8411","0.0012","81.03","0.002","85.54","0.002","76.678","0.002","701.29","0.09","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N2 O5 S -","- C14 H13 N2 O5 S -","- C28 H26 N4 O10 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.055","0.0414","","","0.1035","0.1105","","","","","","1.049","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247406","18.2829","0.0009","20.7","0.0009","10.448","0.0005","90","","102.276","0.005","90","","3863.7","0.3","99.9","0.6","99.9","0.6","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H42 Mo8 N40 O22 -","- C16 H42 Mo8 N40 O22 -","- C32 H84 Mo16 N80 O44 -","2","0.25","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0475","0.0421","","","0.1234","0.127","","","","","","1.059","","","","has coordinates","287338","2023-11-06","07:24:59",""
"7247407","14.99","0.0002","31.7213","0.0004","46.9852","0.0006","90","","90","","90","","22341.6","0.5","100","0.1","100","0.1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H88 Mo16 N32 Na8 O77 -","- C16 H40 Mo16 N32 Na8 O53 -","- C128 H320 Mo128 N256 Na64 O424 -","8","0.25","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0461","0.0434","","","0.1331","0.1357","","","","","","1.048","","","","has coordinates","287338","2023-11-06","07:25:02",""
"7247408","11.8391","0.0003","11.9219","0.0002","25.7883","0.0006","98.134","0.002","97.651","0.002","91.857","0.002","3566.31","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H47 Mo12 N32 Na4 O42 -","- C16 H23 Mo12 N32 Na4 O30 -","- C32 H46 Mo24 N64 Na8 O60 -","2","1","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0903","0.0764","","","0.1987","0.2098","","","","","","1.037","","","","has coordinates","287338","2023-11-06","07:25:03",""
"7247409","11.1739","0.0002","12.6845","0.0003","27.1349","0.0006","83.745","0.002","81.094","0.002","84.215","0.002","3763.17","0.14","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Mo6 N18 O16 -","- C36 H31 Mo6 N18 O16 -","- C72 H62 Mo12 N36 O32 -","2","1","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0892","0.0789","","","0.221","0.231","","","","","","1.051","","","","has coordinates","287338","2023-11-06","07:25:05",""
"7247410","18.5643","0.0012","15.172","0.0014","13.1988","0.0009","90","","104.662","0.003","90","","3596.5","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N4 O11 -","- C14 H22 N4 O11 -","- C112 H176 N32 O88 -","8","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","","1.54178","CuKα","","0.0433","0.0424","","","0.1271","0.1282","","","","","","1.049","","","","has coordinates,has disorder","287345","2023-11-06","07:27:59",""
"7247411","7.9228","0.0002","6.33067","0.00019","29.1969","0.0006","90","","95.122","0.002","90","","1458.57","0.06","212.99","0.1","212.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C56 H56 N16 O28 -","4","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","x-ray","1.54184","CuKα","","0.0533","0.042","","","0.1084","0.1155","","","","","","1.043","","","","has coordinates","287345","2023-11-06","07:27:59",""
"7247412","27.746","0.004","6.6694","0.001","17.362","0.003","90","","92.936","0.006","90","","3208.6","0.9","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N4 O9 -","- C14 H18 N4 O9 -","- C112 H144 N32 O72 -","8","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","","1.54178","CuKα","","0.0783","0.0515","","","0.1334","0.1518","","","","","","1.04","","","","has coordinates,has disorder","287345","2023-11-06","07:27:59",""
"7247413","8.8706","0.0005","9.1259","0.0005","11.3422","0.0004","80.367","0.004","69.633","0.004","67.65","0.005","795.46","0.08","213","0.1","213","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O5 -","- C16 H16 N4 O5 -","- C32 H32 N8 O10 -","2","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","x-ray","1.54184","CuKα","","0.0458","0.0403","","","0.1092","0.1154","","","","","","1.04","","","","has coordinates","287345","2023-11-06","07:27:59",""
"7247415","15.9305","0.0005","7.0439","0.0002","15.4405","0.0006","90","","116.292","0.003","90","","1553.38","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Oxyma_B","Oxyma B","","- C6 H7 N3 O4 -","- C6 H7 N3 O4 -","- C48 H56 N24 O32 -","8","2","","Prohens, Rafel; Barbas, Rafael; de la Torre, Beatriz G.; Albericio, Fernando; Frontera, Antonio","An experimental and computational investigation of the elusive anhydrous form of Oxyma-B","CrystEngComm","2023","25","41","5818","5826","10.1039/D3CE00741C","powder diffraction","","1.54175","CuKα","","","","","","","","","14.3642","56.8","","","","","","","has coordinates","287335","2023-11-06","07:23:53",""
"7247418","27.0713","0.0011","9.526","0.0003","24.0085","0.001","90","","93.82","0.004","90","","6177.6","0.4","120","10","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Dy2 N22 O18 W -","- C50 H64 Dy2 N22 O18 W -","- C200 H256 Dy8 N88 O72 W4 -","4","0.5","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0694","0.0406","","","0.078","0.0819","","","","","","1.059","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247419","26.9939","0.0009","9.5351","0.0003","24.0996","0.0007","90","","93.714","0.003","90","","6190","0.3","120","0.1","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Dy2 Mo N22 O18 -","- C50 H64 Dy2 Mo N22 O18 -","- C200 H256 Dy8 Mo4 N88 O72 -","4","0.5","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0705","0.0426","","","0.0964","0.1","","","","","","0.866","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247420","10.5532","0.0009","11.6027","0.001","18.7684","0.0016","92.524","0.002","95.871","0.002","108.109","0.002","2165.8","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 Dy Mo N15 O16.5 -","- C31 H39 Dy Mo N15 O16.5 -","- C62 H78 Dy2 Mo2 N30 O33 -","2","1","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0461","0.0365","","","0.0818","0.087","","","","","","1.046","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247421","10.4246","0.0011","11.7295","0.0011","18.732","0.0019","93.031","0.003","95.698","0.003","108.135","0.003","2157.4","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H48 Dy N15 O16.5 W -","- C29 H48 Dy N15 O16.5 W -","- C58 H96 Dy2 N30 O33 W2 -","2","1","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0488","0.0378","","","0.08","0.0847","","","","","","1.081","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247422","11.7573","0.0006","11.5545","0.0007","15.8209","0.001","90","","106.604","0.002","90","","2059.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cd N3 O7 S -","- C18 H21 Cd N3 O7 S -","- C72 H84 Cd4 N12 O28 S4 -","4","1","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","","0.71073","MoKα","","0.0458","0.0325","","","0.0672","0.0737","","","","","","1.081","","","","has coordinates","287347","2023-11-06","07:28:21",""
"7247423","11.5878","0.0012","17.7103","0.0012","13.2737","0.0013","90","","114.676","0.012","90","","2475.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cd N5 O7 S -","- C23 H23 Cd N5 O7 S -","- C92 H92 Cd4 N20 O28 S4 -","4","1","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0726","0.0587","","","0.1461","0.1531","","","","","","1.05","","","","has coordinates","287347","2023-11-06","07:28:23",""
"7247424","5.73025","0.00007","8.1274","0.00011","12.86566","0.00018","74.1108","0.0012","89.5736","0.0011","84.1958","0.0011","573.204","0.014","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cd N4 O6 S4 -","- C16 H22 Cd N4 O6 S4 -","- C16 H22 Cd N4 O6 S4 -","1","0.5","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0346","0.0311","","","0.0772","0.079","","","","","","1.104","","","","has coordinates","287347","2023-11-06","07:28:33",""
"7247425","7.364","0.0001","23.3599","0.0003","19.2032","0.0003","90","","93.423","0.001","90","","3297.49","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cd2 N14 O20 S2 -","- C62 H68 Cd2 N14 O20 S2 -","- C124 H136 Cd4 N28 O40 S4 -","2","0.5","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0428","0.0385","","","0.1035","0.1066","","","","","","1.077","","","","has coordinates","287347","2023-11-06","07:28:36",""
"7247426","11.053","0.012","11.22","0.012","13.17","0.014","80.21","0.03","80.56","0.03","75.51","0.03","1546","3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H88 Dy2 Fe4 N10 O32 -","- C34 H88 Dy2 Fe4 N10 O32 -","- C34 H88 Dy2 Fe4 N10 O32 -","1","0.5","","Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets","CrystEngComm","2023","25","42","5893","5899","10.1039/D3CE00824J","","","0.71073","MoKα","","0.0521","0.0354","","","0.0569","0.0632","","","","","","1.066","","","","has coordinates","287337","2023-11-06","07:24:33",""
"7247427","10.8225","0.0003","11.1813","0.0003","12.9331","0.0004","79.542","0.003","79.911","0.002","75.815","0.002","1478.02","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H88 Fe4 N10 O32 Y2 -","- C34 H88 Fe4 N10 O32 Y2 -","- C34 H88 Fe4 N10 O32 Y2 -","1","0.5","","Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets","CrystEngComm","2023","25","42","5893","5899","10.1039/D3CE00824J","","x-ray","1.54178","CuKα","","0.0792","0.0783","","","0.2215","0.2218","","","","","","1.179","","","","has coordinates","287337","2023-11-06","07:24:44",""
"7247429","15.7355","0.0006","8.0029","0.0003","31.7701","0.0013","90","","90","","90","","4000.8","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C232 H136 N8 S8 -","8","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.1263","0.0904","","","0.2221","0.2562","","","","","","0.891","","","","has coordinates","287331","2023-11-06","07:21:14",""
"7247430","13.152","0.0005","14.0836","0.0005","12.0152","0.0005","90","","115.009","0.001","90","","2016.88","0.14","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0596","0.0427","","","0.1018","0.1161","","","","","","1.063","","","","has coordinates","287331","2023-11-06","07:21:20",""
"7247431","7.731","0.0006","8.1036","0.0005","32.103","0.002","90","","90","","90","","2011.2","0.2","294","2","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0911","0.0421","","","0.084","0.1063","","","","","","1.085","","","","has coordinates","287331","2023-11-06","07:21:25",""
"7247442","7.0782","0.0007","12.8899","0.0012","17.2503","0.0015","90","","90","","90","","1573.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0359","0.0339","","","0.0878","0.0896","","","","","","1.079","","","","has coordinates","287350","2023-11-06","07:29:57",""
"7247443","11.404","0.008","12.721","0.008","15.241","0.011","90","","109.811","0.008","90","","2080","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0433","0.0397","","","0.1051","0.1084","","","","","","1.085","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247444","22.923","0.003","11.7148","0.0014","11.64","0.0018","90","","92.091","0.006","90","","3123.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C144 H96 Cl16 N16 O8 -","8","2","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0609","0.0508","","","0.1253","0.1327","","","","","","1.12","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247445","18.809","0.003","3.8575","0.0006","29.184","0.005","90","","98.486","0.007","90","","2094.3","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0477","0.0362","","","0.079","0.0829","","","","","","1.043","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247446","10.5285","0.0011","7.097","0.0007","19.468","0.002","90","","99.747","0.007","90","","1433.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl2 N2 O -","- C16 H12 Cl2 N2 O -","- C64 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0646","0.0451","","","0.0904","0.097","","","","","","1.073","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247447","10.3339","0.0014","7.2993","0.001","14.544","0.0019","90","","104.972","0.007","90","","1059.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C44 H32 Cl8 N4 O4 -","2","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0407","0.0343","","","0.084","0.0875","","","","","","1.05","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247448","5.789","0.007","14.243","0.019","12.602","0.016","90","","98.64","0.03","90","","1027","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C44 H32 Cl8 N4 O4 -","2","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.035","0.032","","","0.0829","0.0849","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247449","10.5269","0.0011","12.0193","0.0012","13.2546","0.0014","90","","113.08","0.005","90","","1542.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0454","0.0355","","","0.0803","0.0842","","","","","","1.053","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247450","7.4028","0.0009","7.9597","0.001","9.349","0.0012","100.674","0.007","94.021","0.007","100.27","0.007","529.64","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","1","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0577","0.0426","","","0.0979","0.1052","","","","","","1.054","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247451","3.8427","0.0006","17.047","0.003","11.6457","0.0018","90","","97.752","0.007","90","","755.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0535","0.0418","","","0.0736","0.0769","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247452","7.9894","0.0016","9.4955","0.0019","15.762","0.003","85.572","0.006","79.226","0.006","71.653","0.005","1114.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl4 N2 O2 -","- C24 H16 Cl4 N2 O2 -","- C48 H32 Cl8 N4 O4 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.1219","0.0616","","","0.1145","0.1343","","","","","","1.019","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247453","8.0784","0.0006","8.0784","0.0006","32.831","0.005","90","","90","","90","","2142.6","0.4","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0308","0.0302","","","0.0768","0.0772","","","","","","1.095","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247454","8.127","0.0015","8.5365","0.0015","11.656","0.002","75.042","0.005","86.122","0.006","78.916","0.006","766.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0452","0.0367","","","0.0887","0.0928","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247455","20.8278","0.0003","14.7244","0.0003","7.739","0.0002","90","","93.831","0.002","90","","2368.07","0.09","299.6","0.7","299.6","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 Mn N4 O5 -","- C25 H24 Mn N4 O5 -","- C100 H96 Mn4 N16 O20 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0528","0.0341","","","0.0815","0.0875","","","","","","1.042","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247456","20.3665","0.001","4.5514","0.0002","21.1136","0.0009","90","","101.761","0.005","90","","1916.06","0.15","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10.5 H9 Mn0.5 N2 O3 -","- C10.5 H9 Mn0.5 N2 O3 -","- C84 H72 Mn4 N16 O24 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0799","0.0516","","","0.1153","0.1294","","","","","","1.046","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247457","22.1459","0.0003","12.0673","0.0002","12.5517","0.0002","90","","90","","90","","3354.33","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H29 Mn2 N10 O13 -","- C24 H28 Mn2 N10 O13 -","- C96 H112 Mn8 N40 O52 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0892","0.0876","","","0.2234","0.2242","","","","","","1.191","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247458","11.4647","0.0004","15.947","0.0006","13.4871","0.0003","90","","90","","90","","2465.81","0.14","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C9 H11 Mn N4 O6.5 -","- C9 H11 Mn N4 O6.5 -","- C72 H88 Mn8 N32 O52 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0639","0.0396","","","0.0759","0.086","","","","","","1.032","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247459","14.414","0.003","10.48","0.002","7.74","0.0015","90","","105.64","0.03","90","","1125.9","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H10 Mn N4 O6 -","- C9 H10 Mn N4 O6 -","- C36 H40 Mn4 N16 O24 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","Synchrotron","","0.0722","0.0645","","","0.1695","0.1761","","","","","","1.093","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247460","12.318","0.003","12.9645","0.0013","9.0482","0.0012","90","","107.377","0.015","90","","1379","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C21 H23 Mn2 N9 O11 -","- C21 H23 Mn2 N9 O11 -","- C42 H46 Mn4 N18 O22 -","2","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0672","0.0618","","","0.1626","0.1673","","","","","","1.084","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247461","23.2881","0.0007","10.4868","0.0002","24.8587","0.0008","90","","114.461","0.004","90","","5526","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H18.83 Mn N4.83 O4.83 -","- C23.4999 H18.8331 Mn N4.8333 O4.8333 -","- C187.999 H150.665 Mn8 N38.6664 O38.6664 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0939","0.0825","","","0.2457","0.2577","","","","","","1.04","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247462","9.1364","0.0001","16.5273","0.0003","21.5295","0.0003","90","","101.798","0.001","90","","3182.28","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Mn2 N8 O12 -","- C26 H36 Mn2 N8 O12 -","- C104 H144 Mn8 N32 O48 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","MoKα","","0.0526","0.0365","","","0.0791","0.086","","","","","","1.038","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247463","9.115","0.0004","9.115","0.0004","10.2056","0.0006","90","","90","","90","","847.91","0.07","293","2","293","2","","","","","","","","5","I -4 2 m","I -4 2","121","","sodium cobalt (II, III) posphate cloride","","- Cl4 Co7.38 Na O16 P4 -","- Cl4 Co7.38 Na O16 P4 -","- Cl8 Co14.76 Na2 O32 P8 -","2","0.125","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergei; Volkov, Anatoliy; Dimitrova, Olga","NaCo7.38(PO4)4Cl4 in a series of homeotype compounds with stable cationic substructures derived from the sulphohalite archetype","CrystEngComm","2023","25","43","6006","6016","10.1039/D3CE00819C","","","0.71073","MoKα","","0.0172","0.0164","","","0.0358","0.036","","","","","","1.302","","","","has coordinates","288778","2024-01-06","07:54:54",""
"7247464","26.806","0.004","7.7681","0.001","20.357","0.003","90","","112.251","0.003","90","","3923.3","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N7 O11 -","- C16 H11 N7 O11 -","- C128 H88 N56 O88 -","8","2","","Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming","Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons","CrystEngComm","2023","25","41","5827","5833","10.1039/D3CE00530E","","","0.71073","MoKα","","0.1105","0.0702","","","0.1647","0.187","","","","","","1.054","","","","has coordinates","287336","2023-11-06","07:24:10",""
"7247465","6.2299","0.0006","7.4168","0.0007","12.7696","0.0012","103.819","0.003","90.179","0.003","95.701","0.003","569.9","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N10 O14 -","- C14 H12 N10 O14 -","- C14 H12 N10 O14 -","1","0.5","","Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming","Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons","CrystEngComm","2023","25","41","5827","5833","10.1039/D3CE00530E","","","0.71073","MoKα","","0.0898","0.0503","","","0.1166","0.1346","","","","","","1.016","","","","has coordinates","287336","2023-11-06","07:24:15",""
"7247467","15.3694","0.0003","5.216","0.0001","22.3953","0.0005","90","","97.797","0.002","90","","1778.76","0.06","200","0.1","200","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0496","0.0426","","","0.1139","0.1191","","","","","","1.022","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247468","12.7762","0.0004","5.23515","0.00015","14.4736","0.0005","90","","111.409","0.004","90","","901.27","0.06","260.01","0.1","260.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.049","0.0418","","","0.1185","0.1241","","","","","","1.059","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247469","12.8223","0.0005","5.245","0.0002","14.5064","0.0005","90","","111.569","0.004","90","","907.28","0.06","290","0.1","290","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0519","0.0433","","","0.1203","0.1268","","","","","","1.08","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247470","12.8072","0.0004","5.24245","0.00015","14.4951","0.0004","90","","111.513","0.004","90","","905.42","0.05","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0516","0.0436","","","0.1207","0.1273","","","","","","1.061","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247471","12.747","0.0004","5.22886","0.00014","14.4507","0.0004","90","","111.302","0.003","90","","897.37","0.05","239.99","0.1","239.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0465","0.0404","","","0.1106","0.1152","","","","","","1.045","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247472","12.7632","0.0004","5.23201","0.00015","14.4635","0.0004","90","","111.364","0.004","90","","899.46","0.05","250","0.1","250","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0476","0.0411","","","0.1148","0.1196","","","","","","1.069","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247473","15.4013","0.0004","5.2236","0.0001","22.451","0.0006","90","","97.71","0.002","90","","1789.86","0.08","230","0.1","230","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0652","0.0482","","","0.1485","0.162","","","","","","1.06","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247474","15.3811","0.0003","5.21845","0.00012","22.4123","0.0005","90","","97.767","0.002","90","","1782.43","0.07","210","0.1","210","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0518","0.0429","","","0.1207","0.1272","","","","","","1.049","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247475","15.3909","0.0004","5.22159","0.00012","22.4298","0.0006","90","","97.735","0.002","90","","1786.17","0.08","220","0.1","220","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0562","0.0451","","","0.1346","0.1434","","","","","","1.061","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247476","12.7932","0.0005","5.23468","0.00018","14.4811","0.0006","90","","111.423","0.005","90","","902.77","0.07","269.99","0.1","269.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0518","0.0424","","","0.1159","0.1232","","","","","","1.04","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247477","15.4043","0.0004","5.2267","0.0001","22.4631","0.0006","90","","97.697","0.003","90","","1792.29","0.08","235","0.1","235","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0696","0.0493","","","0.1505","0.165","","","","","","1.071","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247478","7.1034","0.0006","7.4941","0.0006","15.5567","0.0012","100.593","0.003","91.274","0.003","111.564","0.003","753.39","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","2","","Ghouari, Nasreddine; Benali-Cherif, Rim; Takouachet, Radhwane; Falek, Wahiba; Missaoui, Djallila; Rahmouni, Ali; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","Crystal engineering of a new pharmaceutical polymorph of gallic acid monohydrate: a structural comparative study and chemical computational quantum investigations","CrystEngComm","2023","25","45","6279","6290","10.1039/D3CE00766A","","","0.71073","MoKα","","0.077","0.0584","","","0.1461","0.154","","","","","","1.147","","","","has coordinates,has disorder","288807","2024-01-06","08:05:42",""
"7247481","13.6491","0.0008","16.3995","0.0007","15.8476","0.0009","90","","102.302","0.005","90","","3465.8","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N8 O6 -","- C36 H42 N8 O6 -","- C144 H168 N32 O24 -","4","1","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0607","0.0407","","","0.1011","0.1075","","","","","","0.952","","","","has coordinates","287333","2023-11-06","07:21:41",""
"7247482","16.4758","0.0008","14.6068","0.0009","19.2419","0.001","90","","114.749","0.004","90","","4205.4","0.4","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H44 Cl6 N8 O6 -","- C38 H44 Cl6 N8 O6 -","- C152 H176 Cl24 N32 O24 -","4","0.5","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0675","0.0593","","","0.1649","0.172","","","","","","1.101","","","","has coordinates","287333","2023-11-06","07:21:53",""
"7247493","10.9437","0.0002","21.7335","0.0003","25.2207","0.0004","90","","90","","90","","5998.61","0.17","173","2","173","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C160 H200 Ag12 Cl16 F72 N8 P12 S32 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0732","0.0608","","","0.1562","0.1647","","","","","","1.045","","","","has coordinates,has disorder","288780","2024-01-06","07:55:17",""
"7247494","11.5778","0.0007","12.0547","0.0007","12.4212","0.0008","90","","111.23","0.004","90","","1615.94","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H31 Ag2 F6 N O6 S4 -","- C25 H31 Ag2 F6 N O6 S4 -","- C50 H62 Ag4 F12 N2 O12 S8 -","2","1","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0349","0.032","","","0.0659","0.0675","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:27",""
"7247495","24.3861","0.0009","10.5716","0.0004","24.9876","0.0009","90","","106.3","0.002","90","","6182.9","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Ag4 Cl2 F12 N2 O12 S12 -","- C43 H48 Ag4 Cl2 F12 N2 O12 S12 -","- C172 H192 Ag16 Cl8 F48 N8 O48 S48 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0438","0.0365","","","0.0921","0.097","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:29",""
"7247514","7.687","0.0015","16.132","0.003","14.951","0.003","90","","100.35","0.03","90","","1823.9","0.6","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(naphthalen-1-yl)-2-(10-oxoanthracen-9(10H)-ylidene)acetonitrile","","- C26 H15 N O -","- C26 H15 N O -","- C104 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0836","0.0687","","","0.217","0.2286","","","","","","1.132","","","","has coordinates","288804","2024-01-06","08:03:43",""
"7247515","16.899","0.003","5.502","0.0011","41.337","0.008","90","","90","","90","","3843.4","1.3","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C54 H33 Cl N2 -","- C54 H33.011 Cl0.989 N2 -","- C216 H132.044 Cl3.956 N8 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0521","0.0419","","","0.1112","0.1166","","","","","","1.023","","","","has coordinates,has disorder","288804","2024-01-06","08:03:44",""
"7247516","20.818","0.004","5.388","0.0011","17.241","0.003","90","","107.1","0.03","90","","1848.4","0.7","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C27 H17 N -","- C27 H17 N -","- C108 H68 N4 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.63","synchrotron","","0.0577","0.0475","","","0.1404","0.1473","","","","","","1.102","","","","has coordinates","288804","2024-01-06","08:03:44",""
"7247517","7.1203","0.0004","12.9924","0.0007","16.795","0.001","90.201","0.002","98.985","0.001","98.48","0.002","1517.3","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 N5 O4 -","- C33 H35 N5 O4 -","- C66 H70 N10 O8 -","2","1","","Kang, Yanlei; Chen, Jiahui; Hu, Xiurong; Jiang, Yunliang; Li, Zhong","A cocrystal prediction method of graph neural networks based on molecular spatial information and global attention","CrystEngComm","2023","25","46","6405","6415","10.1039/D3CE00535F","","","0.71073","MoKα","","0.1021","0.0555","","","0.125","0.1611","","","","","","1","","","","has coordinates","288788","2024-01-06","07:56:53",""
"7247520","9.231","0.0002","11.1587","0.0002","11.8072","0.0002","109.53","0.002","108.436","0.002","100.043","0.002","1032.67","0.04","152","5","152","5","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F N2 O11 -","- C23 H19 F N2 O11 -","- C46 H38 F2 N4 O22 -","2","1","","Zhang, Min; Gu, Dai-Lin; Zhen, Jian-Feng; Lu, Tong-Bu; Dai, Xia-Lin; Chen, Jia-Mei","A novel drug–drug cocrystal of tegafur and myricetin: optimized properties of dissolution and tabletability","CrystEngComm","2023","25","44","6171","6179","10.1039/D3CE00794D","","x-ray","1.54184","CuKα","","0.0487","0.046","","","0.1259","0.1277","","","","","","1.033","","","","has coordinates","288772","2024-01-06","07:53:34",""
"7247534","8.4502","0.0004","21.4984","0.0012","8.7348","0.0006","90","","105.103","0.003","90","","1532","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 I N2 O2 -","- C15 H16 I N2 O2 -","- C60 H64 I4 N8 O8 -","4","1","","Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.","Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding","CrystEngComm","2023","25","44","6152","6161","10.1039/D3CE00735A","","","0.71073","MoKα","","0.0822","0.0383","","","0.057","0.0659","","","","","","0.77","","","","has coordinates","288777","2024-01-06","07:54:34",""
"7247535","9.7329","0.0016","12.393","0.002","14.382","0.002","78.384","0.009","72.269","0.009","72.195","0.009","1562","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 I N2 O2 -","- C15 H16 I N2 O2 -","- C60 H64 I4 N8 O8 -","4","2","","Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.","Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding","CrystEngComm","2023","25","44","6152","6161","10.1039/D3CE00735A","","","0.71073","MoKα","","0.0792","0.0413","","","0.0775","0.0901","","","","","","0.893","","","","has coordinates","288777","2024-01-06","07:54:35",""
"7247536","9.0392","0.0004","9.0518","0.0003","13.7313","0.0006","76.202","0.001","74.883","0.001","67.225","0.001","988.05","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","none","N,N'-bis(5-phenyl-5H-dibenzo[a,d][7]annulen-5-yl)ethane-1,2-diamine pyridine clathrate","","- C54 H46 N4 -","- C54 H46 N4 -","- C54 H46 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0838","0.0476","","","0.1062","0.13","","","","","","1.082","","","","has coordinates","288805","2024-01-06","08:03:54",""
"7247537","8.9716","0.0005","9.2886","0.0005","13.8221","0.0008","75.212","0.003","76.005","0.003","66.684","0.003","1009.8","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C54 H50 N4 -","- C54 H50 N4 -","- C54 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.058","0.0406","","","0.0875","0.0974","","","","","","1.047","","","","has coordinates","288805","2024-01-06","08:03:54",""
"7247538","8.7173","0.0006","11.2718","0.0008","12.6826","0.0009","108.163","0.003","105.764","0.002","104.337","0.002","1061.65","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C56 H50 N4 -","- C56 H50 N4 -","- C56 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0474","0.0392","","","0.102","0.1095","","","","","","1.029","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247539","9.0013","0.0003","26.7346","0.0009","9.0416","0.0003","90","","114.066","0.002","90","","1986.7","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C106 H101 N7 -","- C106 H101 N7 -","- C106 H101 N7 -","1","0.25","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0658","0.0499","","","0.1238","0.1362","","","","","","1.019","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247540","8.9471","0.001","9.974","0.0011","13.4375","0.0014","73.488","0.004","75.543","0.004","74.301","0.004","1087.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C56 H50 N4 -","- C56 H50 N4 -","- C56 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0715","0.0604","","","0.1718","0.1859","","","","","","1.049","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247541","13.3215","0.0013","6.9213","0.0005","13.3412","0.0015","90","","105.928","0.01","90","","1182.9","0.2","100","2","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl 7-fluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborole-4-carboxylate","","- C10 H12 B F O4 Si -","- C10 H12 B F O4 Si -","- C40 H48 B4 F4 O16 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0664","0.0528","","","0.1395","0.153","","","","","","1.024","","","","has coordinates","288806","2024-01-06","08:04:30",""
"7247542","8.3772","0.0003","11.1912","0.0003","12.2672","0.0004","90","","102.988","0.003","90","","1120.64","0.06","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-4-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C36 H40 B4 F12 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0928","0.0942","","","","","","1.041","","","","has coordinates","288806","2024-01-06","08:04:41",""
"7247543","9.9043","0.0004","9.509","0.0003","12.4382","0.0005","90","","108.389","0.005","90","","1111.61","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-4-cyano-7-fluoro-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H9 B F N O2 Si -","- C9 H9 B F N O2 Si -","- C36 H36 B4 F4 N4 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0445","0.0362","","","0.0878","0.0935","","","","","","1.073","","","","has coordinates","288806","2024-01-06","08:04:45",""
"7247544","7.5415","0.0002","6.9154","0.0002","10.0942","0.0002","90","","95.474","0.002","90","","524.04","0.02","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","1,1-dimethyl-7-fluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H10 B F O3 Si -","- C9 H10 B F O3 Si -","- C18 H20 B2 F2 O6 Si2 -","2","0.5","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0374","0.0333","","","0.0925","0.0961","","","","","","1.078","","","","has coordinates","288806","2024-01-06","08:04:58",""
"7247545","14.5174","0.0004","10.1711","0.0001","14.6098","0.0008","90","","95.774","0.006","90","","2146.31","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 B Cl O2 Si -","- C8 H10 B Cl O2 Si -","- C64 H80 B8 Cl8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0297","0.029","","","0.0805","0.0813","","","","","","1.059","","","","has coordinates","288806","2024-01-06","08:05:03",""
"7247546","13.6654","0.0006","18.404","0.0007","8.4758","0.0003","90","","96.021","0.004","90","","2119.89","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-6-cyano-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B N O2 Si -","- C9 H10 B N O2 Si -","- C72 H80 B8 N8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0423","0.035","","","0.0921","0.0985","","","","","","1.027","","","","has coordinates","288806","2024-01-06","08:05:14",""
"7247547","8.9458","0.0003","10.0166","0.0004","25.8341","0.0009","90","","90","","90","","2314.9","0.15","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1,1-dimethyl-6-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0788","0.0521","","","0.1043","0.1165","","","","","","0.998","","","","has coordinates","288806","2024-01-06","08:05:17",""
"7247548","14.0599","0.0009","10.9765","0.0002","14.9951","0.0016","90","","94.876","0.011","90","","2305.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C72 H80 B8 F24 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0782","0.0499","","","0.1219","0.1386","","","","","","1.035","","","","has coordinates","288806","2024-01-06","08:05:18",""
"7247549","7.0678","0.0002","16.2162","0.0003","12.8481","0.0003","90","","97.58","0.002","90","","1459.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-7-(dihydroxyborono)-2,1,3-benzoxasilaborol-3(1H)-ol","","- C11 H18 B2 O5 Si -","- C11 H18 B2 O5 Si -","- C44 H72 B8 O20 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0676","0.0438","","","0.1094","0.124","","","","","","1.055","","","","has coordinates","288806","2024-01-06","08:05:20",""
"7247550","15.6371","0.0001","15.6371","0.0001","17.646","0.0002","90","","90","","90","","4314.78","0.06","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","6-bromo-1,1-dimethyl-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B Br O2 Si -","- C8 H10 B Br O2 Si -","- C128 H160 B16 Br16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0371","0.0239","","","0.0533","0.0583","","","","","","1.046","","","","has coordinates","288806","2024-01-06","08:05:23",""
"7247551","15.507","0.0001","15.507","0.0001","17.3326","0.0002","90","","90","","90","","4167.92","0.06","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-chloro-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C8 H10 B Cl O2 Si -","- C8 H10 B Cl O2 Si -","- C128 H160 B16 Cl16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","1.54178","CuKα","","0.0307","0.0304","","","0.0865","0.0868","","","","","","1.095","","","","has coordinates","288806","2024-01-06","08:05:24",""
"7247552","15.5827","0.0001","15.5827","0.0001","17.2392","0.0003","90","","90","","90","","4186.03","0.08","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H11 B O3 Si -","- C9 H11 B O3 Si -","- C144 H176 B16 O48 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0787","0.0527","","","0.1256","0.1427","","","","","","1.023","","","","has coordinates,has disorder","288806","2024-01-06","08:05:24",""
"7247553","12.917","0.0004","9.3267","0.0002","18.3757","0.0008","90","","91.43","0.005","90","","2213.09","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6,7-dichloro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B Cl2 O2 Si -","- C8 H9 B Cl2 O2 Si -","- C64 H72 B8 Cl16 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0546","0.0379","","","0.0855","0.0941","","","","","","1.057","","","","has coordinates","288806","2024-01-06","08:05:27",""
"7247554","7.0164","0.0003","12.3417","0.0006","18.5513","0.001","93.405","0.004","93.926","0.004","105.818","0.004","1536.87","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C48 H54 B6 F12 O12 Si6 -","6","3","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1219","0.1298","","","","","","1.063","","","","has coordinates","288806","2024-01-06","08:05:29",""
"7247555","8.5329","0.0004","17.0749","0.0004","13.9049","0.0009","90","","101.787","0.007","90","","1983.2","0.17","100","2","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-5-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0533","0.0424","","","0.0975","0.1044","","","","","","1.028","","","","has coordinates","288806","2024-01-06","08:05:32",""
"7247556","6.9101","0.0004","8.4399","0.0004","10.1501","0.0004","86.142","0.004","72.322","0.004","70.59","0.005","531.58","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,1-dimethyl-6,7-difluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H9 B F2 O3 Si -","- C9 H9 B F2 O3 Si -","- C18 H18 B2 F4 O6 Si2 -","2","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.7107","MoKα","","0.0327","0.0293","","","0.0845","0.0878","","","","","","1.033","","","","has coordinates","288806","2024-01-06","08:05:33",""
"7247557","14.4016","0.0009","8.5877","0.0003","25.338","0.002","90","","95.665","0.009","90","","3118.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6,7-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C96 H108 B12 F24 O24 Si12 -","12","3","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","1.5418","CuKα","","0.0448","0.0376","","","0.0989","0.1047","","","","","","1.056","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247558","6.6288","0.0002","11.6079","0.0004","29.9883","0.0012","90","","90","","90","","2307.49","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1,1-dimethyl-7-iodo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B I O2 Si -","- C8 H10 B I O2 Si -","- C64 H80 B8 I8 O16 Si8 -","8","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0804","0.0593","","","0.1166","0.1264","","","","","","1.154","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247559","8.616","0.0002","9.8164","0.0003","17.2931","0.0004","103.181","0.002","93.671","0.002","100.986","0.002","1389.12","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,1-dimethyl-7-(trimethylsilyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C11 H19 B O2 Si2 -","- C11 H19 B O2 Si2 -","- C44 H76 B4 O8 Si8 -","4","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.045","0.0378","","","0.0997","0.1059","","","","","","1.031","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247560","15.8197","0.0002","15.8197","0.0002","18.3035","0.0005","90","","90","","90","","4580.69","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C144 H160 B16 F48 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0446","0.037","","","0.09","0.0953","","","","","","1.055","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247561","8.3266","0.0001","6.6782","0.0001","18.9086","0.0002","90","","96.84","0.001","90","","1043.96","0.02","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C32 H36 B4 F8 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0357","0.0346","","","0.0962","0.0969","","","","","","1.136","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247562","15.3391","0.0001","15.3391","0.0001","16.9322","0.0003","90","","90","","90","","3983.94","0.08","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C128 H160 B16 F16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0672","0.0374","","","0.0866","0.0996","","","","","","1.026","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247563","11.1355","0.0012","10.6673","0.0003","12.051","0.003","90","","112.31","0.03","90","","1324.3","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1,6,6-tetramethyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,2,5]oxasilaborol-3(1H)-ol","","- C11 H15 B O4 Si -","- C11 H15 B O4 Si -","- C44 H60 B4 O16 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.7107","MoKα","","0.0556","0.0417","","","0.1083","0.1181","","","","","","1.044","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247564","7.9293","0.0007","8.574","0.0007","11.9825","0.001","81.591","0.002","88.173","0.002","89.232","0.002","805.44","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Manganese-organic Compound","","","- C17 H16 Mn0.5 N4 O3 -","- C17 H16 Mn0.5 N4 O3 -","- C34 H32 Mn N8 O6 -","2","1","","Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha","Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions","CrystEngComm","2023","25","45","6343","6353","10.1039/D3CE00883E","","","0.71073","MoKα","","0.087","0.071","","","0.11","0.1152","","","","","","1.225","","","","has coordinates","288808","2024-01-06","08:05:48",""
"7247565","7.9266","0.0008","8.5888","0.0008","11.8991","0.0011","82.016","0.003","87.908","0.003","89.364","0.003","801.69","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Iron-organic Compound","","","- C17 H16 Fe0.5 N4 O3 -","- C17 H16 Fe0.5 N4 O3 -","- C34 H32 Fe N8 O6 -","2","1","","Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha","Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions","CrystEngComm","2023","25","45","6343","6353","10.1039/D3CE00883E","","","0.71073","MoKα","","0.0667","0.0504","","","0.101","0.1077","","","","","","1.09","","","","has coordinates","288808","2024-01-06","08:05:48",""
"7247566","22.3092","0.0014","7.1387","0.0005","7.1638","0.0005","90","","98.471","0.002","90","","1128.45","0.13","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As Br2 La3 S5 -","- As Br2 La3 S5 -","- As4 Br8 La12 S20 -","4","1","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0444","0.0444","","","0.1058","0.1058","","","","","","0.832","","","","has coordinates","288811","2024-01-06","08:06:43",""
"7247567","7.0472","0.0003","7.1152","0.0003","37.1137","0.0013","90","","90","","90","","1860.96","0.13","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- As2 Cl3 La5 S9 -","- As2 Cl3 La5 S9 -","- As8 Cl12 La20 S36 -","4","0.5","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0414","0.0398","","","0.1123","0.1138","","","","","","1.046","","","","has coordinates","288811","2024-01-06","08:06:53",""
"7247568","19.794","0.0002","19.794","0.0002","9.0285","0.0001","90","","90","","120","","3063.47","0.06","155","7","155","7","","","","","","","","6","P 63","P 6c","173","","MHOF-PO4-2","","- C45 H63 Cu3 N6 O16 P -","- C45 H63 Cu3 N6 O16 P -","- C90 H126 Cu6 N12 O32 P2 -","2","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0203","0.0199","","","0.0536","0.0541","","","","","","1.084","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7247569","37.4254","0.0002","37.4254","0.0002","37.4254","0.0002","90","","90","","90","","52420.3","0.5","100","0.3","100","0.3","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","MHOF-PO4-1","","- C45 H69 Cu3 N6 O19 P -","- C45 H69 Cu3 N6 O19 P -","- C1440 H2208 Cu96 N192 O608 P32 -","32","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0651","0.0538","","","0.1547","0.1632","","","","","","0.992","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7247577","10.807","0.0006","11.9118","0.0007","12.0215","0.0007","118.315","0.001","98.197","0.002","98.075","0.002","1309.44","0.13","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 N5 O4 Zn -","- C31 H19 N5 O4 Zn -","- C62 H38 N10 O8 Zn2 -","2","1","","Li, Ya-Ping; Zhang, Jian-Hua; Zhang, Xiao-Xia; Liu, Sui-Jun","2D → 3D polycatenated Zn(ii) metal–organic framework with good chemical stability as a fluorescent sensor toward salicylaldehyde, acetylacetone and H2PO4−","CrystEngComm","2023","25","46","6424","6433","10.1039/D3CE00961K","","","0.71073","MoKα","","0.1473","0.0735","","","0.1679","0.2099","","","","","","1.027","","","","has coordinates,has disorder","288783","2024-01-06","07:56:14",""
"7247579","4.83768","0.00017","14.8178","0.0005","20.0275","0.0006","90","","95.964","0.003","90","","1427.88","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C60 H56 N8 O24 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0649","0.0568","","","0.1666","0.1731","","","","","","1.092","","","","has coordinates","288773","2024-01-06","07:53:45",""
"7247580","4.7204","0.0001","21.155","0.0005","15.1364","0.0003","90","","92.616","0.002","90","","1509.95","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C60 H64 Br4 N4 O16 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0491","0.0441","","","0.1075","0.1102","","","","","","1.067","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247581","4.4714","0.0001","9.3275","0.0002","17.7797","0.0005","90","","90.109","0.002","90","","741.54","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H15 N O7 S -","- C15 H15 N O7 S -","- C30 H30 N2 O14 S2 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0265","0.026","","","0.0708","0.0711","","","","","","1.073","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247582","4.7037","0.0001","20.9656","0.0003","14.8427","0.0002","90","","92.196","0.001","90","","1462.65","0.04","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O4 -","- C15 H16 Cl N O4 -","- C60 H64 Cl4 N4 O16 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.046","0.0392","","","0.0992","0.1029","","","","","","1.044","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247583","7.9912","0.0001","21.7863","0.0002","9.0403","0.0001","90","","100.091","0.001","90","","1549.56","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N O7 P -","- C15 H16 N O7 P -","- C60 H64 N4 O28 P4 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0293","0.0284","","","0.0736","0.0742","","","","","","1.066","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247584","3.89223","0.00004","10.76523","0.0001","15.40737","0.00014","109.037","0.0008","94.011","0.0008","90.8565","0.0008","608.291","0.011","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.0934","0.0944","","","","","","1.086","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247585","3.82566","0.00003","15.0716","0.00006","21.1995","0.00009","90","","92.4431","0.0005","90","","1221.23","0.012","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0346","0.0339","","","0.0887","0.0893","","","","","","1.057","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247591","6.9004","0.0007","10.5029","0.0011","15.8453","0.0017","95.066","0.004","92.516","0.004","100.761","0.003","1121.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O7 -","- C25 H28 N2 O7 -","- C50 H56 N4 O14 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0414","0.0375","","","0.104","0.1075","","","","","","1.058","","","","has coordinates","288774","2024-01-06","07:53:56",""
"7247592","7.0715","0.001","10.4603","0.0014","15.71","0.002","95.12","0.004","94.102","0.005","99.743","0.004","1136.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O8 -","- C25 H28 N2 O8 -","- C50 H56 N4 O16 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0501","0.0462","","","0.1347","0.1389","","","","","","1.131","","","","has coordinates,has disorder","288774","2024-01-06","07:53:57",""
"7247593","7.0766","0.0014","10.505","0.002","15.939","0.003","95.513","0.006","93.85","0.006","100.486","0.005","1155.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C52 H60 N4 O14 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0389","0.0381","","","0.1028","0.104","","","","","","1.058","","","","has coordinates,has disorder","288774","2024-01-06","07:53:57",""
"7247594","10.8801","0.0012","12.8327","0.0014","13.3727","0.0014","90","","93.49","0.004","90","","1863.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.035","0.035","","","0.0874","0.0874","","","","","","1.039","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247595","6.6173","0.0006","13.6049","0.0011","20.3294","0.0017","90","","90","","90","","1830.2","0.3","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","0.25","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0403","0.0389","","","0.1129","0.1149","","","","","","1.101","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247596","7.1643","0.0012","9.8755","0.0016","17.073","0.003","84.131","0.005","85.474","0.005","72.254","0.005","1143","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C52 H60 N4 O12 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0362","0.0342","","","0.0905","0.092","","","","","","1.055","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247597","9.7285","0.0009","9.8676","0.0009","16.7911","0.0015","90","","97.648","0.003","90","","1597.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cl2 Co N12 O14 -","- C18 H36 Cl2 Co N12 O14 -","- C36 H72 Cl4 Co2 N24 O28 -","2","0.5","","Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo","2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive","CrystEngComm","2023","25","46","6449","6454","10.1039/D3CE00891F","","","0.71073","MoKα","","0.0891","0.0601","","","0.1629","0.1798","","","","","","1.061","","","","has coordinates,has disorder","288785","2024-01-06","07:56:31",""
"7247598","7.4339","0.0007","8.4275","0.0008","9.0714","0.0008","87.583","0.003","78.69","0.002","77.157","0.002","543.34","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","1","0.5","","Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo","2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive","CrystEngComm","2023","25","46","6449","6454","10.1039/D3CE00891F","","","0.71073","MoKα","","0.0838","0.078","","","0.211","0.2183","","","","","","1.092","","","","has coordinates,has disorder","288785","2024-01-06","07:56:31",""
"7247599","11.3155","0.0001","17.9907","0.0002","20.6727","0.0002","90","","98.456","0.001","90","","4162.67","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 F6 Fe -","- C46 H40 F6 Fe -","- C184 H160 F24 Fe4 -","4","1","","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses","CrystEngComm","2023","25","46","6478","6488","10.1039/D3CE00591G","","x-ray","1.54184","CuKα","","0.0365","0.035","","","0.0968","0.0983","","","","","","1.051","","","","has coordinates,has disorder","288786","2024-01-06","07:56:39",""
"7247600","18.4087","0.0001","8.0394","0.0007","23.69","0.002","90","","91.284","0.004","90","","3505.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N3 O6 -","- C18 H19 N3 O6 -","- C144 H152 N24 O48 -","8","1","","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses","CrystEngComm","2023","25","46","6478","6488","10.1039/D3CE00591G","","x-ray","0.71073","MoKα","","0.0798","0.0569","","","0.0896","0.0918","","","","","","0.646","","","","has coordinates","288786","2024-01-06","07:56:40",""
"7247601","6.447","0.0015","10.416","0.003","11.367","0.003","82.665","0.01","87.026","0.01","72.301","0.009","721.2","0.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","1","0.5","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1117","0.0645","","","0.1514","0.177","","","","","","1.028","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247602","10.1433","0.0012","11.0854","0.0013","15.0978","0.0018","87.297","0.005","78.914","0.005","89.006","0.005","1664","0.3","301","","301","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","- C68 H104 N4 O4 -","2","1","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1377","0.0888","","","0.2633","0.3116","","","","","","1.033","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247603","18.8769","0.0008","6.1559","0.0002","26.9215","0.0011","90","","106.511","0.003","90","","2999.4","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 N2 O2 -","- C32 H48 N2 O2 -","- C128 H192 N8 O8 -","4","0.5","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.0583","0.0512","","","0.1326","0.1405","","","","","","1.04","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247604","10.9128","0.0012","10.0522","0.0009","29.338","0.003","90","","90.55","0.004","90","","3218.2","0.6","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N2 O2 -","- C33 H50 N2 O2 -","- C132 H200 N8 O8 -","4","1","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1355","0.0868","","","0.2487","0.3022","","","","","","1.031","","","","has coordinates,has disorder","288784","2024-01-06","07:56:24",""
"7247616","22.3235","0.0011","11.7383","0.0005","7.558","0.0004","90","","92.989","0.002","90","","1977.8","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","2","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0541","0.0433","","","0.1181","0.1273","","","","","","1.064","","","","has coordinates","288084","2023-12-06","15:07:29",""
"7247617","7.799","0.002","18.295","0.004","8.984","0.002","90","","93.931","0.014","90","","1278.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag N3 O4 -","- C12 H12 Ag N3 O4 -","- C48 H48 Ag4 N12 O16 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0274","0.0254","","","0.0647","0.066","","","","","","1.098","","","","has coordinates","288084","2023-12-06","15:08:46",""
"7247618","7.7806","0.0015","18.88","0.005","9.48","0.003","90","","96.15","0.014","90","","1384.6","0.6","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag B F4 N2 O -","- C12 H12 Ag B F4 N2 O -","- C48 H48 Ag4 B4 F16 N8 O4 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0402","0.0333","","","0.0926","0.0958","","","","","","1.06","","","","has coordinates","288084","2023-12-06","15:09:16",""
"7247619","12.102","0.004","6.6333","0.0011","17.915","0.004","90","","90","","90","","1438.1","0.6","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 Ag F6 N2 Sb -","- C12 H10 Ag F5.9998 N2 Sb -","- C48 H40 Ag4 F23.9992 N8 Sb4 -","4","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0226","0.0197","","","0.0502","0.0509","","","","","","1.123","","","","has coordinates,has disorder","288084","2023-12-06","15:09:34",""
"7247620","36.304","0.01","5.3887","0.0009","15.575","0.004","90","","110.695","0.016","90","","2850.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag F3 N2 O2 -","- C14 H10 Ag F3 N2 O2 -","- C112 H80 Ag8 F24 N16 O16 -","8","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0292","0.0262","","","0.0661","0.0686","","","","","","1.056","","","","has coordinates,has disorder","288084","2023-12-06","15:09:46",""
"7247621","6.6106","0.0009","17.709","0.002","12.3217","0.0017","90","","94.626","0.004","90","","1437.8","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Ag F3 N2 O3 S -","- C13 H10 Ag F3 N2 O3 S -","- C52 H40 Ag4 F12 N8 O12 S4 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0349","0.0303","","","0.0729","0.0742","","","","","","1.106","","","","has coordinates,has disorder","288084","2023-12-06","15:10:01",""
"7247622","19.0792","0.0008","7.8359","0.0004","19.193","0.0009","90","","94.076","0.001","90","","2862.1","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7.5 N2 O1.75 -","- C7 H7.5 N2 O1.75 -","- C112 H120 N32 O28 -","16","4","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0821","0.0501","","","0.1005","0.1131","","","","","","1.042","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7247623","13.2616","0.0004","16.7698","0.0006","16.9393","0.0006","118.495","0.001","93.043","0.001","103.059","0.001","3167.76","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cl6 N16 O9 Yb2 -","- C56 H50 Cl6 N16 O9 Yb2 -","- C112 H100 Cl12 N32 O18 Yb4 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0832","0.0446","","","0.0743","0.0852","","","","","","1.036","","","","has coordinates","288809","2024-01-06","08:06:10",""
"7247624","8.6982","0.0005","11.0452","0.0006","13.7542","0.0008","90","","106.867","0.002","90","","1264.57","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu N4 O2 -","- C14 H10 Cu N4 O2 -","- C56 H40 Cu4 N16 O8 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0684","0.0403","","","0.0788","0.0892","","","","","","1.029","","","","has coordinates","288809","2024-01-06","08:06:20",""
"7247625","8.4097","0.0003","10.7232","0.0004","13.8568","0.0005","79.116","0.001","80.131","0.001","79.915","0.001","1195.72","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl6 Eu2 N12 O6 -","- C42 H36 Cl6 Eu2 N12 O6 -","- C42 H36 Cl6 Eu2 N12 O6 -","1","0.5","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0454","0.0331","","","0.0603","0.0644","","","","","","1.078","","","","has coordinates,has disorder","288809","2024-01-06","08:06:23",""
"7247626","8.5699","0.0004","11.7452","0.0006","14.2218","0.0007","78.654","0.001","77.154","0.001","70.806","0.001","1306.15","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Eu N9 O12 -","- C21 H18 Eu N9 O12 -","- C42 H36 Eu2 N18 O24 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0169","0.0159","","","0.0378","0.0381","","","","","","1.169","","","","has coordinates","288809","2024-01-06","08:06:23",""
"7247627","8.5744","0.0003","11.7399","0.0004","14.2153","0.0005","78.681","0.001","77.157","0.001","70.824","0.001","1305.88","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Gd N9 O12 -","- C21 H18 Gd N9 O12 -","- C42 H36 Gd2 N18 O24 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0192","0.0174","","","0.0379","0.0384","","","","","","1.114","","","","has coordinates","288809","2024-01-06","08:06:24",""
"7247628","12.4309","0.0006","10.4129","0.0005","13.1342","0.0006","90","","104.761","0.002","90","","1644","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu2 N4 O4 -","- C16 H16 Cu2 N4 O4 -","- C64 H64 Cu8 N16 O16 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.1063","0.0632","","","0.0991","0.1104","","","","","","1.102","","","","has coordinates","288809","2024-01-06","08:06:24",""
"7247629","7.7383","0.0004","11.5787","0.0007","14.7269","0.0012","90","","90","","90","","1319.52","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Br3 N Pb S -","- C8 H8 Br3 N Pb S -","- C32 H32 Br12 N4 Pb4 S4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0852","0.0491","","","0.1027","0.1111","","","","","","0.916","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247630","17.703","0.001","7.827","0.0003","20.1031","0.0011","90","","90","","90","","2785.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Br3 N Pb S -","- C9 H10 Br3 N Pb S -","- C72 H80 Br24 N8 Pb8 S8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1258","0.0667","","","0.1294","0.1604","","","","","","0.911","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247631","22.601","0.002","7.8074","0.0007","24.284","0.002","90","","90","","90","","4285","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br3 P Pb -","- C19 H18 Br3 P Pb -","- C152 H144 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1174","0.0708","","","0.1525","0.1775","","","","","","1.044","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247632","22.297","0.0012","7.948","0.0004","25.2706","0.0011","90","","90","","90","","4478.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 P Pb -","- C20 H20 Br3 P Pb -","- C160 H160 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1182","0.0499","","","0.0769","0.1022","","","","","","0.996","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247633","8.8791","0.0004","21.8322","0.0014","17.9977","0.001","90","","91.913","0.005","90","","3486.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br8 N2 Pb3 S2 -","- C20 H24 Br8 N2 Pb3 S2 -","- C80 H96 Br32 N8 Pb12 S8 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1354","0.0707","","","0.1343","0.1591","","","","","","0.88","","","","has coordinates,has disorder","288789","2024-01-06","07:57:05",""
"7247634","13.3422","0.0012","8.1688","0.0008","21.4738","0.0018","90","","95.977","0.008","90","","2327.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br3 P Pb -","- C21 H22 Br3 P Pb -","- C84 H88 Br12 P4 Pb4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0686","0.037","","","0.0581","0.0673","","","","","","0.977","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247635","15.6685","0.0007","3.7842","0.0001","10.8705","0.0005","90","","108.658","0.005","90","","610.67","0.05","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-di(pyridin-4-yl)thiazolo[5,4-d]thiazole","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","1.54178","CuKα","","0.0353","0.0345","","","0.0947","0.0952","","","","","","1.093","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247636","8.4275","0.0006","6.304","0.0004","11.748","0.0007","90","","93.544","0.006","90","","622.94","0.07","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.0531","0.0418","","","0.1004","0.1072","","","","","","1.077","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247637","14.728","0.007","15.36","0.05","15.369","0.008","93.63","0.07","113.88","0.04","91.64","0.05","3167","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H40 N12 O8 S6 Zn2 -","- C70 H40 N12 O8 S6 Zn2 -","- C140 H80 N24 O16 S12 Zn4 -","2","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.098","0.0913","","","0.2451","0.2485","","","","","","1.166","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247638","17.1947","0.0002","18.5446","0.0002","15.7154","0.0002","90","","100.974","0.001","90","","4919.52","0.1","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N10 O10 S6 Zn2 -","- C46 H34 N10 O10 S6 Zn2 -","- C184 H136 N40 O40 S24 Zn8 -","4","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","1.54178","CuKα","","0.0819","0.073","","","0.1754","0.1796","","","","","","1.076","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247639","32.53","0.02","8.664","0.003","22.1","0.02","90","","96.56","0.02","90","","6188","7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 N4 O5 S2 Zn -","- C28 H16 N4 O5 S2 Zn -","- C224 H128 N32 O40 S16 Zn8 -","8","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.0367","0.0316","","","0.0838","0.0859","","","","","","1.058","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247640","4.6413","0.0003","16.1899","0.0014","8.557","0.004","90","","91.691","0.013","90","","642.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C16 D24 F24 O8 -","8","2","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1064","0.0693","","","0.1807","0.2122","","","","","","1.06","","","","has coordinates","288810","2024-01-06","08:06:33",""
"7247641","4.654","0.0003","16.259","0.0018","8.577","0.004","90","","91.615","0.013","90","","648.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C16 D24 F24 O8 -","8","2","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1012","0.0781","","","0.2013","0.2327","","","","","","1.082","","","","has coordinates","288810","2024-01-06","08:06:36",""
"7247642","4.863","0.0004","33.054","0.007","8.8694","0.0014","90","","91.519","0.009","90","","1425.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol-D","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C32 D48 F48 O16 -","16","4","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1288","0.0556","","","0.1608","0.2279","","","","","","1.027","","","","has coordinates","288810","2024-01-06","08:06:36",""
"7247643","7.712","0.0015","7.481","0.0015","11.062","0.002","90","","108.44","0.03","90","","605.4","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","N3-protonated Cytidine nitrate","","- C9 H14 N4 O8 -","- C9 H14 N4 O8 -","- C18 H28 N8 O16 -","2","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.71073","MoKα","","0.0314","0.0311","","","0.0838","0.0843","","","","","","1.075","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247644","4.6969","0.0003","15.1122","0.0011","17.3305","0.0012","90","","90","","90","","1230.13","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cytidine and silver nitrate","","- C9 H13 Ag N4 O8 -","- C9 H13 Ag N4 O8 -","- C36 H52 Ag4 N16 O32 -","4","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.72929","synchrotron","","0.0372","0.0358","","","0.1124","0.1146","","","","","","1.162","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247645","10.0114","0.0003","16.1179","0.0005","11.3898","0.0004","90","","120.466","0.002","90","","1584.13","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Co F6 N4 O6 -","- C24 H38 Co F6 N4 O6 -","- C48 H76 Co2 F12 N8 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.0705","0.0384","","","0.0787","0.0856","","","","","","0.922","","","","has coordinates,has disorder","288775","2024-01-06","07:54:10",""
"7247646","9.9328","0.0006","15.9853","0.0011","11.4746","0.0007","90","","120.609","0.003","90","","1568.06","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 F6 N4 Ni O6 -","- C24 H38 F6 N4 Ni O6 -","- C48 H76 F12 N8 Ni2 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.0789","0.0428","","","0.0898","0.0975","","","","","","0.941","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247647","8.9504","0.0011","15.8017","0.0018","11.5358","0.0017","90","","118.8","0.004","90","","1429.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 F6 N4 Ni O6 -","- C22 H34 F6 N4 Ni O6 -","- C44 H68 F12 N8 Ni2 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","1.54178","CuKα","","0.033","0.032","","","0.0903","0.0915","","","","","","1.032","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247648","18.333","0.004","15.836","0.003","11.701","0.002","90","","120.036","0.008","90","","2940.9","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Co0.5 F6 N4 Ni0.5 O6 -","- C23 H36 Co0.5 F6 N4 Ni0.5 O6 -","- C92 H144 Co2 F24 N16 Ni2 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1951","0.0592","","","0.1539","0.1958","","","","","","0.837","","","","has coordinates,has disorder","288775","2024-01-06","07:54:10",""
"7247649","18.514","0.004","15.792","0.003","11.787","0.002","90","","120.86","0.03","90","","2958.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Co F6 N4 O6 -","- C23 H36 Co F6 N4 O6 -","- C92 H144 Co4 F24 N16 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1077","0.0427","","","0.1222","0.1678","","","","","","0.698","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247650","18.564","0.004","15.699","0.003","11.768","0.002","90","","120.67","0.03","90","","2949.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 F6 N4 Ni O6 -","- C23 H36 F6 N4 Ni O6 -","- C92 H144 F24 N16 Ni4 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1172","0.0441","","","0.1031","0.1341","","","","","","0.872","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247665","71.41","0.1","8.12","0.011","9.297","0.014","90","","91.38","0.04","90","","5389","13","160.15","","160.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) dodecanethiolate","","- C48 H100 S4 Sn -","- C48 H100 S4 Sn -","- C192 H400 S16 Sn4 -","4","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","","1.54178","CuKα","","0.2569","0.2477","","","0.5687","0.5722","","","","","","1.156","","","","has coordinates","287254","2023-11-04","13:21:02",""
"7247666","81.184","0.004","7.8878","0.0004","9.253","0.0005","90","","91.117","0.001","90","","5924.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) tetradecanethiolate","","- C56 H116 S4 Sn -","- C56 H116 S4 Sn -","- C224 H464 S16 Sn4 -","4","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","","1.54178","CuKα","","0.0639","0.062","","","0.1648","0.1673","","","","","","1.186","","","","has coordinates","287254","2023-11-04","13:21:13",""
"7247667","45.6447","0.0014","8.1335","0.0003","9.3171","0.0003","90","","92.133","0.003","90","","3456.6","0.2","100","","298","","","","","","","","","4","P 1 c 1","P -2yc","7","","Tin(IV) hexadecanethiolate","","- C64 H132 S4 Sn -","- C64 H132 S4 Sn -","- C128 H264 S8 Sn2 -","2","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","x-ray","0.71073","MoKα","","0.0846","0.0809","","","0.2176","0.2241","","","","","","1.112","","","","has coordinates","287254","2023-11-04","13:21:22",""
"7247681","13.8174","0.0003","13.8174","0.0003","26.1691","0.0012","90","","90","","120","","4326.9","0.2","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H24 In N3 O9 -","- C33 H24 In N3 O9 -","- C198 H144 In6 N18 O54 -","6","0.333333","","Wang, Rui; Jiang, Nan; Luo, Rong; Yu, Hai-Jun; Yin, Yi; Bi, Shuang-Yu; Zhang, Dong-Mei; Shao, Feng","Efficient detection of Al3+ and B4O72− over trigonal prism In(iii) complex","CrystEngComm","2023","25","47","6627","6634","10.1039/D3CE00904A","","","0.71073","MoKα","","0.0369","0.0299","","","0.0598","0.0674","","","","","","1.124","","","","has coordinates","288792","2024-01-06","07:57:35",""
"7247682","10.949","0.0005","11.9806","0.0007","12.0973","0.0006","112.946","0.005","106.988","0.004","99.066","0.004","1329.49","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 Ni O11 -","- C22 H26.5 N8 Ni O10.75 -","- C44 H53 N16 Ni2 O21.5 -","2","1","","Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio","Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","CrystEngComm","2023","25","46","6503","6511","10.1039/D3CE00871A","","","1.54184","CuKα","","0.0379","0.0326","","","0.0824","0.0861","","","","","","1.046","","","","has coordinates,has disorder","288787","2024-01-06","07:56:47",""
"7247683","11.1064","0.0009","12.1528","0.0011","12.3032","0.0012","113.663","0.009","106.663","0.008","98.98","0.007","1385.8","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 O11 Zn -","- C22 H26 N8 O10 Zn -","- C44 H52 N16 O20 Zn2 -","2","1","","Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio","Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","CrystEngComm","2023","25","46","6503","6511","10.1039/D3CE00871A","","","0.71073","MoKα","","0.1111","0.0638","","","0.1304","0.1583","","","","","","1.016","","","","has coordinates,has disorder","288787","2024-01-06","07:56:47",""
"7247685","16.1956","0.0004","7.178","0.0002","7.2126","0.0002","90","","100.097","0.002","90","","825.49","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl4 Mn N2 O4 -","- C8 H20 Cl4 Mn N2 O4 -","- C16 H40 Cl8 Mn2 N4 O8 -","2","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.022","0.0199","","","0.0502","0.0512","","","","","","1.129","","","","has coordinates","288795","2024-01-06","07:59:40",""
"7247686","21.3208","0.0014","7.0794","0.0004","11.144","0.0006","90","","107.916","0.002","90","","1600.49","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 Cl4 Mn N2 O6 -","- C6 H20 Cl4 Mn N2 O6 -","- C24 H80 Cl16 Mn4 N8 O24 -","4","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0206","0.0182","","","0.0458","0.0467","","","","","","1.16","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247687","5.9046","0.0004","7.8188","0.0005","11.5638","0.0007","91.74","0.002","99.872","0.002","104.651","0.002","507.33","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H28 Cl4 Mn N2 O6 -","- C10 H28 Cl4 Mn N2 O6 -","- C10 H28 Cl4 Mn N2 O6 -","1","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0233","0.0192","","","0.0459","0.0476","","","","","","1.077","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247688","7.137","0.0001","7.2664","0.0001","19.6318","0.0004","85.695","0.002","87.366","0.002","88.66","0.002","1013.96","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cl4 Mn N2 O4 -","- C12 H28 Cl4 Mn N2 O4 -","- C24 H56 Cl8 Mn2 N4 O8 -","2","1","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0288","0.0256","","","0.0616","0.0626","","","","","","1.11","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247700","10.5007","0.0001","19.5547","0.0002","8.6349","0.0001","90","","97.941","0.001","90","","1756.07","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Tertbutylphenylmethyl)sulfanyl]-5-(phenyl)-1,3,4-oxadiazole","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio","Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions","CrystEngComm","2023","25","48","6710","6718","10.1039/D3CE00944K","","","1.54184","CuKα","","0.0435","0.0405","","","0.1194","0.1225","","","","","","1.09","","","","has coordinates,has disorder","288800","2024-01-06","08:01:17",""
"7247701","10.4066","0.0001","24.9033","0.0002","8.8792","0.0001","90","","97.936","0.001","90","","2279.08","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Tertbutylphenylmethyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio","Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions","CrystEngComm","2023","25","48","6710","6718","10.1039/D3CE00944K","","","1.54184","CuKα","","0.048","0.0454","","","0.1342","0.1372","","","","","","1.053","","","","has coordinates,has disorder","288800","2024-01-06","08:01:17",""
"7247702","10.4819","0.0007","10.9273","0.0007","12.5634","0.0007","104.646","0.002","108.134","0.002","97.016","0.002","1291.14","0.14","172.99","","172.99","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Zhao, Yuming; Zhang, Rudie; Xiao, Cheng; Yue, Dan; Qin, Bowen; Liu, Jinhui; Wang, Zhenling; Fu, Yu","A dual-emission Tb-based MOF induced by ESPT for ratiometric ammonia sensing","CrystEngComm","2023","25","47","6528","6532","10.1039/D3CE00902E","","","0.71073","MoKα","","0.0207","0.019","","","0.0466","0.0479","","","","","","1.139","","","","has coordinates,has disorder","288790","2024-01-06","07:57:11",""
"7247705","30.238","0.006","30.238","0.006","15.131","0.005","90","","90","","120","","11981","5","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H72 Hf6 O32 -","- C120 H72 Hf6 O32 -","- C360 H216 Hf18 O96 -","3","0.166667","","Ma, Yali; Wang, Haitang; Wang, Hailong; Wang, Jiani; Jiang, Shuaiyu; Zheng, Qiang; Jia, Songyan; Li, Xue; Ma, Tianyi","A stable ultra-microporous hafnium-based metal–organic framework with high performance for CO2 adsorption and separation","CrystEngComm","2023","25","46","6489","6495","10.1039/D3CE01022H","","","0.71073","MoKα","","0.0765","0.0504","","","0.1386","0.1593","","","","","","0.974","","","","has coordinates","288782","2024-01-06","07:56:08",""
"7247709","35.975","0.0019","6.3852","0.0004","17.1343","0.0009","90","","104.246","0.003","90","","3814.8","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Tioconazole Hydrobromide Salt","","","- C16 H14 Br Cl3 N2 O S -","- C16 H14 Br Cl3 N2 O S -","- C128 H112 Br8 Cl24 N16 O8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54178","CuKα","","0.0675","0.0478","","","0.1178","0.1306","","","","","","1.04","","","","has coordinates","288801","2024-01-06","08:01:43",""
"7247710","7.7627","0.0005","11.9414","0.0006","14.9934","0.0007","110.029","0.005","96.939","0.005","103.891","0.005","1235.79","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tiaconazole-2-Chloro-4-nitrobenzoic acid cocrystal","","","- C23 H16 Cl4 N3 O5 S -","- C23 H16 Cl4 N3 O5 S -","- C46 H32 Cl8 N6 O10 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1344","0.0874","","","0.2182","0.2393","","","","","","1.047","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247711","7.8551","0.0005","46.374","0.002","12.4658","0.0005","90","","90.468","0.004","90","","4540.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tioconazole-fumerate salt hemihydrate","","","- C20 H18 Cl3 N2 O5.5 S -","- C20 H18 Cl3 N2 O5.5 S -","- C160 H144 Cl24 N16 O44 S8 -","8","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.2218","0.1029","","","0.2385","0.3075","","","","","","1.034","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247712","7.5563","0.0002","8.3022","0.0002","20.6593","0.0005","83.732","0.002","82.528","0.002","89.714","0.002","1277.3","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tiaconazole-L-tartrate-L-tartaric acid (2:2:1)salt cocrystal","","","- C22 H22 Cl3 N2 O10 S -","- C22 H22 Cl3 N2 O10 S -","- C44 H44 Cl6 N4 O20 S2 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0568","0.0532","","","0.1376","0.1402","","","","","","1.043","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247713","10.2522","0.0002","10.7638","0.0004","11.0528","0.0004","112.364","0.004","105.711","0.002","96.357","0.002","1054.06","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-oxalate-oxalic acid (1:0.5:0.5)salt cocrystal","","","- C18 H15 Cl3 N2 O5 S -","- C18 H15 Cl3 N2 O5 S -","- C36 H30 Cl6 N4 O10 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.099","0.0918","","","0.2553","0.2641","","","","","","1.041","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247714","8.0219","0.0002","12.3226","0.0003","23.9838","0.0005","97.644","0.002","99.212","0.002","90.462","0.002","2318.4","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Nicotinic acid cocrystal","","","- C22 H18 Cl3 N3 O3 S -","- C22 H18 Cl3 N3 O3 S -","- C88 H72 Cl12 N12 O12 S4 -","4","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0813","0.073","","","0.1879","0.2019","","","","","","1.086","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247715","16.9432","0.001","6.7811","0.0003","34.455","0.002","90","","98.406","0.005","90","","3916.1","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H15 Cl3 N2 O5 S2 -","- C16 H15 Cl3 N2 O5 S2 -","- C128 H120 Cl24 N16 O40 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1484","0.1013","","","0.2524","0.3134","","","","","","1.038","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247716","7.488","0.0002","11.3843","0.0004","13.028","0.0004","83.111","0.003","83.102","0.003","75.116","0.003","1060.94","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-ter-pthalic acid (1:0.5) cocrystal","","","- C20 H16 Cl3 N2 O3 S -","- C20 H16 Cl3 N2 O3 S -","- C40 H32 Cl6 N4 O6 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0758","0.0679","","","0.1792","0.1925","","","","","","1.075","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247717","28.7499","0.0012","6.6873","0.0005","26.7737","0.001","90","","106.37","0.004","90","","4938.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tioconazole-p-tolunesulfonate salt","","","- C23 H14 Cl3 N2 O4 S2 -","- C23 H14 Cl3 N2 O4 S2 -","- C184 H112 Cl24 N16 O32 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1162","0.077","","","0.1836","0.2195","","","","","","1.04","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247718","8.4631","0.0003","12.0147","0.0006","21.5955","0.0018","82.36","0.009","88.44","0.006","88.592","0.003","2175.1","0.2","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl6 N4 O11 S3 -","- C32 H32 Cl6 N4 O11 S3 -","- C64 H64 Cl12 N8 O22 S6 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1016","0.086","","","0.2464","0.2716","","","","","","1.095","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247719","7.6028","0.0001","9.9444","0.0001","35.6016","0.0004","90","","90","","90","","2691.67","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tioconazole-L-tartrate 1:1 salt hydrate","","","- C20 H25 Cl3 N2 O10.42 S -","- C20 H25 Cl3 N2 O10.42 S -","- C80 H100 Cl12 N8 O41.68 S4 -","4","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0641","0.0618","","","0.1301","0.1312","","","","","","1.146","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247720","10.5568","0.0003","10.9083","0.0003","20.8988","0.0004","86.078","0.002","77.368","0.002","66.24","0.003","2148.81","0.11","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tioconzaole sulfate (2:1) salt heptahydrate","","","- C32 H42 Cl6 N4 O13 S3 -","- C32 H42 Cl6 N4 O13 S3 -","- C64 H84 Cl12 N8 O26 S6 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0773","0.0677","","","0.1937","0.206","","","","","","1.069","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247721","7.6541","0.0001","15.9993","0.0004","17.8133","0.0005","73.851","0.002","78.295","0.002","85.648","0.002","2051.33","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-oxalate (2:1)salt tetrahydrate","","","- C34 H36 Cl6 N4 O10 S2 -","- C34 H36 Cl6 N4 O10 S2 -","- C68 H72 Cl12 N8 O20 S4 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0555","0.0492","","","0.1362","0.1414","","","","","","1.095","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247722","7.4874","0.0002","8.0833","0.0003","19.8791","0.0005","94.572","0.002","98.318","0.002","94.709","0.003","1181.34","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Fumerate salt monohydrate","","","- C20 H17 Cl3 N2 O6 S -","- C20 H17 Cl3 N2 O6 S -","- C40 H34 Cl6 N4 O12 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0836","0.0726","","","0.1881","0.2029","","","","","","1.047","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247723","17.2992","0.0013","6.8054","0.0005","34.882","0.003","90","","99.792","0.008","90","","4046.8","0.6","298","2","298","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Cl3 N2 O5 P S -","- C16 H14 Cl3 N2 O5 P S -","- C128 H112 Cl24 N16 O40 P8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1453","0.0748","","","0.2161","0.2693","","","","","","1.096","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247724","10.729","0.0003","12.8274","0.0003","16.0617","0.0005","78.507","0.002","83.668","0.002","85.091","0.002","2148.36","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Terepthalic acid cocrystal","","","- C40 H30 Cl6 N4 O6 S2 -","- C40 H30 Cl6 N4 O6 S2 -","- C80 H60 Cl12 N8 O12 S4 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1246","0.0958","","","0.2802","0.333","","","","","","1.187","","","","has coordinates,has disorder","288801","2024-01-06","08:01:57",""
"7247730","12.994","0.003","18.489","0.004","20.221","0.004","90","","90","","90","","4858","1.8","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H48 Co2 N4 O16 -","- C48 H48 Co2 N4 O16 -","- C192 H192 Co8 N16 O64 -","4","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1222","0.0675","","","0.1084","0.1274","","","","","","1.008","","","","has coordinates","288802","2024-01-06","08:02:39",""
"7247731","10.3085","0.0007","16.7006","0.0011","18.9218","0.0013","90","","90","","90","","3257.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34 H26 Co N4 O6 -","- C34 H26 Co N4 O6 -","- C136 H104 Co4 N16 O24 -","4","0.5","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0979","0.0768","","","0.1527","0.1631","","","","","","1.176","","","","has coordinates","288802","2024-01-06","08:02:42",""
"7247732","26.789","0.003","26.789","0.003","25.456","0.003","90","","90","","120","","15821","3","150.15","","150.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H23 N3 Ni O7 -","- C28 H23 N3 Ni O7 -","- C504 H414 N54 Ni18 O126 -","18","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1508","0.0821","","","0.2118","0.2476","","","","","","1.042","","","","has coordinates","288802","2024-01-06","08:02:52",""
"7247733","10.4988","0.0003","16.7826","0.0004","18.4931","0.0005","90","","90","","90","","3258.43","0.15","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C70 H55 N9 Ni2 O12 -","- C70 H55 N9 Ni2 O12 -","- C140 H110 N18 Ni4 O24 -","2","0.25","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0728","0.0568","","","0.151","0.1651","","","","","","1.07","","","","has coordinates,has disorder","288802","2024-01-06","08:03:03",""
"7247734","7.74397","0.00015","5.37413","0.0001","18.739","0.0003","90","","99.3886","0.0018","90","","769.42","0.02","99.97","0.15","99.97","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 O2 -","- C8 H4 N4 O2 -","- C32 H16 N16 O8 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0398","0.0382","","","0.1031","0.1047","","","","","","1.041","","","","has coordinates","288796","2024-01-06","07:59:52",""
"7247735","14.2846","0.0002","9.9978","0.0001","6.3863","0.0001","90","","90","","90","","912.06","0.02","99.9","0.3","99.9","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C32 H12 N20 O16 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0623","0.0625","","","","","","1.075","","","","has coordinates","288796","2024-01-06","08:00:03",""
"7247736","8.6598","0.0002","12.7026","0.0003","15.575","0.0004","90","","90","","90","","1713.28","0.07","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C64 H24 N40 O32 -","8","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0464","0.0439","","","0.1219","0.1247","","","","","","1.059","","","","has coordinates","288796","2024-01-06","08:00:05",""
"7247737","14.40027","0.00012","10.46252","0.00009","6.13809","0.00005","90","","90","","90","","924.784","0.013","99.98","0.15","99.98","0.15","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O5 -","- C8 H3 N5 O5 -","- C32 H12 N20 O20 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.031","0.0308","","","0.083","0.0831","","","","","","1.077","","","","has coordinates","288796","2024-01-06","08:00:17",""
"7247738","8.0979","0.0001","15.91","0.0001","18.7119","0.0001","90","","95.287","0.001","90","","2400.54","0.04","99.97","0.13","99.97","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 O3 -","- C8 H4 N4 O3 -","- C96 H48 N48 O36 -","12","3","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0371","0.0357","","","0.0971","0.0983","","","","","","1.034","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247739","12.53304","0.00019","8.30693","0.00013","9.61288","0.00013","90","","90","","90","","1000.81","0.03","99.9","0.5","99.9","0.5","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H2 N6 O6 -","- C8 H2 N6 O6 -","- C32 H8 N24 O24 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0879","0.0882","","","","","","1.058","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247740","22.7584","0.0008","9.418","0.0002","18.1546","0.0006","90","","112.265","0.004","90","","3601.1","0.2","150","2","149.9","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 Cu O3 P2 S -","- C42 H35 Cu O3 P2 S -","- C168 H140 Cu4 O12 P8 S4 -","4","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.","The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates","CrystEngComm","2023","25","48","6822","6836","10.1039/D3CE00817G","","x-ray","0.71073","MoKα","","0.0599","0.0395","","","0.072","0.0788","","","","","","1.037","","","","has coordinates","288803","2024-01-06","08:03:11",""
"7247741","9.658","0.00014","10.04345","0.00011","18.763","0.0003","76.6204","0.0011","85.3079","0.0011","81.3483","0.001","1748.37","0.04","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 -","- C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 -","- C74.5 H67.46 Cl0.54 Ni2 O11.28 P4 S3.7 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.","The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates","CrystEngComm","2023","25","48","6822","6836","10.1039/D3CE00817G","","","1.54184","CuKα","","0.0405","0.0367","","","0.0928","0.095","","","","","","1.082","","","","has coordinates,has disorder","288803","2024-01-06","08:03:11",""
"7247745","7.0295","0.0004","27.8164","0.0016","12.8722","0.0007","90","","99.071","0.005","90","","2485.5","0.2","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Cu N9 O4 -","- C20 H26 Cl Cu N9 O4 -","- C80 H104 Cl4 Cu4 N36 O16 -","4","1","","Diyali, Nilankar; Chettri, Meena; Saha, Subhajit; Saha, Ankita; Kundu, Subhankar; Mondal, Debasish; Dhak, Debasis; Biswas, Bhaskar","Electrocatalytic hydrogen production activity with a copper(ii)-dipyridylamine complex in acidic water","CrystEngComm","2023","25","48","6837","6844","10.1039/D3CE00996C","","","0.71073","MoKα","","0.0801","0.0576","","","0.1378","0.1577","","","","","","1.032","","","","has coordinates","288797","2024-01-06","08:00:32",""
"7247750","7.959","0.0006","10.7872","0.0008","29.582","0.002","90","","93.461","0.004","90","","2535.1","0.3","193","","193","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 Mn N4 O4 -","- C30 H18 Mn N4 O4 -","- C120 H72 Mn4 N16 O16 -","4","1","","Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang","Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers","CrystEngComm","2023","25","48","6777","6785","10.1039/D3CE01060K","","","1.34139","GaKα","","0.05","0.036","","","0.0876","0.0943","","","","","","1.032","","","","has coordinates,has disorder","288798","2024-01-06","08:00:41",""
"7247751","9.584","0.0002","10.552","0.0003","11.7635","0.0003","93.832","0.001","111.246","0.001","108.96","0.001","1025.39","0.05","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Mn N4 O5 -","- C24 H17 Mn N4 O5 -","- C48 H34 Mn2 N8 O10 -","2","1","","Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang","Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers","CrystEngComm","2023","25","48","6777","6785","10.1039/D3CE01060K","","","1.54178","CuKα","","0.0327","0.0299","","","0.0763","0.0786","","","","","","1.049","","","","has coordinates,has disorder","288798","2024-01-06","08:00:47",""
"7247762","17.1155","0.0007","17.1155","0.0007","17.1155","0.0007","90","","90","","90","","5013.8","0.4","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8.34 H11 Co N9.17 O0.17 -","- C8 H10 Co N9.16667 -","- C96 H120 Co12 N110 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0696","0.066","","","0.1848","0.1875","","","","","","1.189","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247763","16.9979","0.0006","16.9979","0.0006","16.9979","0.0006","90","","90","","90","","4911.2","0.3","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N10.44 -","- C8 H10 Co N10.4445 -","- C96 H120 Co12 N125.334 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0847","0.0801","","","0.2325","0.2398","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247764","17.0426","0.0004","17.0426","0.0004","17.0426","0.0004","90","","90","","90","","4950","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C10 H16 Co N4 O -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0619","0.043","","","0.0932","0.0984","","","","","","1.014","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247765","16.8057","0.0004","16.8057","0.0004","16.8057","0.0004","90","","90","","90","","4746.5","0.2","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.73 -","- C8 H10 Co N13.7334 -","- C96 H120 Co12 N164.801 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0781","0.0721","","","0.1893","0.1947","","","","","","1.105","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247766","16.9247","0.0006","16.9247","0.0006","16.9247","0.0006","90","","90","","90","","4848","0.3","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13 -","- C8 H10 Co N13.0001 -","- C96 H120 Co12 N156.001 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0867","0.0816","","","0.2091","0.2136","","","","","","1.113","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247767","16.6284","0.0004","16.6284","0.0004","16.6284","0.0004","90","","90","","90","","4597.81","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.1064","0.0871","","","0.2123","0.2224","","","","","","1.178","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247768","17.074","0.0004","17.074","0.0004","17.074","0.0004","90","","90","","90","","4977.4","0.2","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N10.08 -","- C8 H10 Co N10.0835 -","- C96 H120 Co12 N121.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0707","0.0675","","","0.2079","0.2103","","","","","","1.249","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247769","17.2086","0.0004","17.2086","0.0004","17.2086","0.0004","90","","90","","90","","5096.1","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C10.92 H21.67 Co N4 O2.92 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0191","0.0185","","","0.0514","0.0516","","","","","","1.106","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247770","17.223","0.0004","17.223","0.0004","17.223","0.0004","90","","90","","90","","5108.9","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11.75 H25 Co N4 O3.75 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0453","0.0415","","","0.1183","0.1245","","","","","","1.168","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247771","16.7265","0.0004","16.7265","0.0004","16.7265","0.0004","90","","90","","90","","4679.67","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.83 -","- C8 H10 Co N13.8335 -","- C96 H120 Co12 N166.001 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0788","0.0744","","","0.1887","0.1935","","","","","","1.162","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247772","16.4992","0.0004","16.4992","0.0004","16.4992","0.0004","90","","90","","90","","4491.47","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0959","0.0849","","","0.2206","0.232","","","","","","1.135","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247773","17.164","0.0003","17.164","0.0003","17.164","0.0003","90","","90","","90","","5056.56","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C11.83 H25.33 Co N4 O3.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0897","0.0845","","","0.2227","0.239","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247774","17.1155","0.0002","17.1155","0.0002","17.1155","0.0002","90","","90","","90","","5013.82","0.1","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11 H19 Co N4 O1.5 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0317","0.0301","","","0.0809","0.0816","","","","","","1.136","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247775","16.9823","0.0004","16.9823","0.0004","16.9823","0.0004","90","","90","","90","","4897.7","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C12.5 H28 Co N4 O4.5 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0366","0.0363","","","0.1001","0.1003","","","","","","1.137","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247776","17.1651","0.0003","17.1651","0.0003","17.1651","0.0003","90","","90","","90","","5057.54","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C13.42 H31.67 Co N4 O5.42 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0679","0.0634","","","0.1727","0.1801","","","","","","1.141","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247777","16.8677","0.0005","16.8677","0.0005","16.8677","0.0005","90","","90","","90","","4799.2","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C12.83 H29.33 Co N4 O4.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.028","0.0278","","","0.0782","0.0783","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247778","16.923","0.0005","16.923","0.0005","16.923","0.0005","90","","90","","90","","4846.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11.67 H21 Co N4 O1.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","1.54184","CuKα","","0.069","0.0584","","","0.1773","0.1899","","","","","","1.098","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247779","16.5684","0.0003","16.5684","0.0003","16.5684","0.0003","90","","90","","90","","4548.22","0.14","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0844","0.0796","","","0.2069","0.2121","","","","","","1.151","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247782","11.276","0.004","6.42","0.004","29.326","0.009","90","","96.45","0.03","90","","2109.5","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F3 N3 O2 -","- C23 H26 F3 N3 O2 -","- C92 H104 F12 N12 O8 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena","Polymorphism of amantadinium niflumate","CrystEngComm","2023","25","48","6748","6757","10.1039/D3CE00754E","","","1.54184","CuKα","","0.0352","0.0323","","","0.0813","0.0837","","","","","","1.029","","","","has coordinates","288799","2024-01-06","08:01:03",""
"7247783","16.953","0.006","6.359","0.003","20.573","0.006","90","","108.29","0.03","90","","2105.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F3 N3 O2 -","- C23 H26 F3 N3 O2 -","- C92 H104 F12 N12 O8 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena","Polymorphism of amantadinium niflumate","CrystEngComm","2023","25","48","6748","6757","10.1039/D3CE00754E","","","1.54184","CuKα","","0.0501","0.0443","","","0.1178","0.1222","","","","","","1.018","","","","has coordinates,has disorder","288799","2024-01-06","08:01:10",""
"7247814","10.3061","0.0001","8.9312","0.0001","16.601","0.0003","90","","95.428","0.001","90","","1521.2","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C31 H26 Cd2 N4 O11 -","- C31 H26 Cd2 N4 O11 -","- C62 H52 Cd4 N8 O22 -","2","0.5","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0248","0.0234","","","0.0606","0.0613","","","","","","1.0483","","","","has coordinates,has disorder","288015","2023-12-04","18:10:45",""
"7247815","11.0328","0.0001","17.1307","0.0002","19.2872","0.0002","90","","93.281","0.001","90","","3639.3","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H18 Cd N2 O8 -","- C15.5 H18 Cd N2 O8 -","- C124 H144 Cd8 N16 O64 -","8","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0246","0.0234","","","0.0629","0.0637","","","","","","1.0708","","","","has coordinates,has disorder","288015","2023-12-04","18:10:46",""
"7247816","27.3243","0.0002","10.2895","0.0001","17.8117","0.0002","90","","105.53","0.001","90","","4824.99","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cd N4 O8.5 -","- C23 H23 Cd N4 O8.5 -","- C184 H184 Cd8 N32 O68 -","8","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0579","0.0576","","","0.1448","0.1449","","","","","","0.9176","","","","has coordinates,has disorder","288015","2023-12-04","18:10:47",""
"7247817","10.0583","0.0002","10.1823","0.0002","20.6673","0.0003","97.263","0.002","94.133","0.001","119.439","0.002","1806.38","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cd2 N4 O15 -","- C33 H38 Cd2 N4 O15 -","- C66 H76 Cd4 N8 O30 -","2","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0349","0.033","","","0.0898","0.0924","","","","","","1.045","","","","has coordinates","288015","2023-12-04","18:10:47",""
"7247818","12.2633","0.0015","6.5624","0.0008","11.4726","0.0014","90","","111.627","0.003","90","","858.28","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","2-acetoxybenzoicacid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Muthusamy, Ramya; Karuppannan, Srinivasan","Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process","CrystEngComm","2023","25","47","6611","6621","10.1039/D3CE00611E","","","0.71073","MoKα","","0.1545","0.0748","","","0.1681","0.2056","","","","","","1.012","","","","has coordinates","288016","2023-12-04","18:14:59",""
"7247819","11.429","0.004","6.597","0.002","11.395","0.004","90","","95.75","0.009","90","","854.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Acetylsalicylic acid","2-acetoxybenzoicacid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Muthusamy, Ramya; Karuppannan, Srinivasan","Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process","CrystEngComm","2023","25","47","6611","6621","10.1039/D3CE00611E","","","0.71073","MoKα","","0.1119","0.0524","","","0.1074","0.1245","","","","","","1.037","","","","has coordinates","288016","2023-12-04","18:15:03",""
"7247820","26.692","0.007","15.981","0.004","19.803","0.005","90","","96.761","0.003","90","","8389","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H101 Co2 Ho2 N7 O37 -","- C74 H101 Co2 Ho2 N7 O37 -","- C296 H404 Co8 Ho8 N28 O148 -","4","0.5","","Ahmed, Naushad; Sahu, Prem Prakash","Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations","CrystEngComm","2023","25","47","6592","6601","10.1039/D3CE00827D","","","0.7107","MoKα","","0.0517","0.0456","","","0.0897","0.093","","","","","","1.106","","","","has coordinates,has disorder","288017","2023-12-04","18:16:25",""
"7247821","26.7585","0.0007","16.0409","0.0005","19.8206","0.0006","90","","96.4","0.003","90","","8454.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H101 Co2 N7 O37 Yb2 -","- C74 H101 Co2 N7 O37 Yb2 -","- C296 H404 Co8 N28 O148 Yb8 -","4","0.5","","Ahmed, Naushad; Sahu, Prem Prakash","Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations","CrystEngComm","2023","25","47","6592","6601","10.1039/D3CE00827D","","","0.71073","MoKα","","0.0561","0.0413","","","0.084","0.0946","","","","","","1.045","","","","has coordinates,has disorder","288017","2023-12-04","18:16:26",""