# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-02T04:34:45+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 = 27 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
"1574143","16.3631","0.0003","10.4157","0.0002","17.9697","0.0003","90","","105.921","0.0007","90","","2945.15","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BILASTINE HYDROCHLORIDE TRI HYDRATE","BILASTINE HYDROCHLORIDE TRI HYDRATE","","- C28 H44 Cl N3 O6 -","- C28 H44 Cl N3 O6 -","- C112 H176 Cl4 N12 O24 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0785","0.0446","","","0.0907","0.1077","","","","","","1.025","","","","has coordinates","300721","2025-07-06","15:10:21",""
"1574144","5.8177","0.0003","12.2664","0.0006","38.8851","0.0018","90","","93.872","0.002","90","","2768.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BILASTINE HYDROBROMIDE MONO HYDRATE","BILASTINE HYDROBROMIDE MONO HYDRATE","","- C28 H40 Br N3 O4 -","- C28 H40 Br N3 O4 -","- C112 H160 Br4 N12 O16 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.041","0.0334","","","0.0753","0.0779","","","","","","1.059","","","","has coordinates","300721","2025-07-06","15:10:21",""
"1574145","8.733","0.002","10.044","0.003","34.856","0.01","90","","94.022","0.009","90","","3049.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BILASTINE DI NITRATE MONO HYDRATE","BILASTINE DI NITRATE MONO HYDRATE","","- C28 H41 N5 O10 -","- C28 H41 N5 O10 -","- C112 H164 N20 O40 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0835","0.0638","","","0.1693","0.1903","","","","","","1.015","","","","has coordinates,has disorder","300721","2025-07-06","15:10:21",""
"1574146","8.9527","0.0017","11.559","0.002","16.499","0.003","100.869","0.006","100.793","0.006","97.455","0.007","1622.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BILASTINE PHOSPHATE DIMETHANOLATE","BILASTINE PHOSPHATE DIMETHANOLATE","","- C30 H48 N3 O9 P -","- C30 H48 N3 O9 P -","- C60 H96 N6 O18 P2 -","2","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.1047","0.0777","","","0.2019","0.224","","","","","","1.045","","","","has coordinates,has disorder","300721","2025-07-06","15:10:21",""
"1574147","9.2405","0.0006","12.572","0.0008","13.1588","0.0008","90","","96.847","0.003","90","","1517.78","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","BILASTINE HYDROCHLORIDE TETRA HYDRATE","BILASTINE HYDROCHLORIDE TETRA HYDRATE","","- C28 H46 Cl N3 O7 -","- C28 H46 Cl N3 O7 -","- C56 H92 Cl2 N6 O14 -","2","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0683","0.042","","","0.0938","0.1053","","","","","","1.031","","","","has coordinates","300721","2025-07-06","15:10:21",""
"1574148","11.8559","0.0011","34.775","0.003","8.4372","0.0008","90","","90.259","0.005","90","","3478.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BILASTINE DI SULFATE TETRA HYDRATE","BILASTINE DI SULFATE TETRA HYDRATE","","- C28 H47 N3 O15 S2 -","- C28 H47 N3 O15 S2 -","- C112 H188 N12 O60 S8 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.122","0.0806","","","0.1755","0.1958","","","","","","1.103","","","","has coordinates,has disorder","300721","2025-07-06","15:10:21",""
"1574149","12.5749","0.0008","14.8653","0.0009","16.1941","0.001","82.653","0.002","80.4795","0.0019","76.8419","0.0019","2894.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","BILASTINE HYDROCHLORIDE PHOSPHATE TRI HYDRATE","BILASTINE HYDROCHLORIDE PHOSPHATE TRI HYDRATE","","- C56 H84 Cl N6 O13 P -","- C56 H84 Cl N6 O13 P -","- C112 H168 Cl2 N12 O26 P2 -","2","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0378","0.0314","","","0.0758","0.0803","","","","","","1.019","","","","has coordinates,has disorder","300721","2025-07-06","15:10:22",""
"1574556","11.3555","0.0004","9.1502","0.0003","7.1692","0.0004","90","","99.648","0.005","90","","734.38","0.06","293","2","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H9 N3 O6 Se -","- C14 H9 N3 O6 Se -","- C28 H18 N6 O12 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0504","0.0384","","","0.0772","0.0829","","","","","","1.0756","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574557","3.8144","0.0011","22.357","0.007","15.964","0.005","90","","93.581","0.009","90","","1358.7","0.7","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O4 S Se -","- C12 H8 N2 O4 S Se -","- C48 H32 N8 O16 S4 Se4 -","4","1","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0648","0.0441","","","0.0738","0.0791","","","","","","1.106","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574558","11.154","0.003","9.184","0.002","7.3865","0.0019","90","","99.177","0.009","90","","747","0.3","300","","300","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H9 Br N2 O4 Se -","- C14 H9 Br N2 O4 Se -","- C28 H18 Br2 N4 O8 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.086","0.0515","","","0.1006","0.1144","","","","","","1.027","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574559","6.8417","0.0007","12.3348","0.0011","8.5209","0.0007","90","","102.207","0.004","90","","702.83","0.11","300","","300","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H11 N3 O4 Se -","- C14 H11 N3 O4 Se -","- C28 H22 N6 O8 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","1.54178","CuKα","","0.0897","0.0821","","","0.2303","0.2443","","","","","","1.086","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574560","7.4596","0.0004","12.3445","0.0006","8.6525","0.0004","90","","112.155","0.006","90","","737.94","0.07","293","2","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H12 N2 O4 Se -","- C15 H12 N2 O4 Se -","- C30 H24 N4 O8 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0451","0.0346","","","0.0669","0.0702","","","","","","1.0417","","","","has coordinates,has disorder","300736","2025-07-06","15:14:27",""
"1574561","3.8992","0.0001","37.6399","0.0013","7.7471","0.0002","90","","95.702","0.003","90","","1131.38","0.06","293","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H6 Br N O4 Se0.5 -","- C11 H7 Br N O4 Se0.5 -","- C44 H28 Br4 N4 O16 Se2 -","4","1","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0702","0.0468","","","0.0946","0.1024","","","","","","1.059","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574562","14.6695","0.0005","8.4232","0.0002","19.7536","0.0006","90","","108.105","0.004","90","","2319.99","0.13","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N2 O7 -","- C24 H25 Cl N2 O7 -","- C96 H100 Cl4 N8 O28 -","4","1","","Hirayama, Yuto; Ito, Akitaka; Ochi, Rika","Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety","CrystEngComm","2025","27","20","3214","3218","10.1039/D5CE00252D","","x-ray","0.71073","MoKα","","0.0532","0.0384","","","0.0933","0.1","","","","","","1.055","","","","has coordinates","300718","2025-07-06","15:09:25",""
"1574563","12.0536","0.0004","14.4733","0.0005","17.464","0.0005","90.685","0.002","105.563","0.002","108.209","0.003","2772.69","0.17","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C49.75 H61.3 Cl3 K N4 O18.15 -","- C49.75 H61.3 Cl3 K N4 O18.15 -","- C99.5 H122.6 Cl6 K2 N8 O36.3 -","2","1","","Hirayama, Yuto; Ito, Akitaka; Ochi, Rika","Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety","CrystEngComm","2025","27","20","3214","3218","10.1039/D5CE00252D","","x-ray","0.71073","MoKα","","0.0941","0.0689","","","0.1897","0.203","","","","","","1.043","","","","has coordinates,has disorder","300718","2025-07-06","15:09:25",""
"1574564","15.1444","0.0004","23.9026","0.0005","15.8158","0.0006","90","","103.663","0.003","90","","5563.2","0.3","103.15","","103.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Cl3 K N4 O19.6 -","- C48 H56 Cl3 K N4 O19.6 -","- C192 H224 Cl12 K4 N16 O78.4 -","4","1","","Hirayama, Yuto; Ito, Akitaka; Ochi, Rika","Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety","CrystEngComm","2025","27","20","3214","3218","10.1039/D5CE00252D","","x-ray","0.71073","MoKα","","0.0845","0.0549","","","0.1388","0.1561","","","","","","1.022","","","","has coordinates,has disorder","300718","2025-07-06","15:09:25",""
"1575111","12.6715","0.0006","14.3504","0.0007","14.5469","0.0009","90","","114.102","0.001","90","","2414.6","0.2","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H62 N4 O15 Zn4 -","- C38 H60 N4 O15 Zn4 -","- C76 H120 N8 O30 Zn8 -","2","0.5","","Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik","The interplay between coordination and non-covalent interactions in three zinc coordination polymers","CrystEngComm","2025","27","33","5583","5594","10.1039/D5CE00505A","","","0.71073","MoKα","","0.0526","0.0429","","","0.0929","0.0963","","","","","","1.009","","","","has coordinates","302570","2025-10-06","08:25:49",""
"1575112","9.483","0.003","19.78","0.006","13.087","0.004","90","","108.89","0.01","90","","2322.6","1.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Br N2 O7 Zn2 -","- C18 H27 Br N2 O7 Zn2 -","- C72 H108 Br4 N8 O28 Zn8 -","4","1","","Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik","The interplay between coordination and non-covalent interactions in three zinc coordination polymers","CrystEngComm","2025","27","33","5583","5594","10.1039/D5CE00505A","","","0.71073","MoKα","","0.0501","0.0378","","","0.0956","0.104","","","","","","1.02","","","","has coordinates,has disorder","302570","2025-10-06","08:25:50",""
"1575113","9.4593","0.0015","19.398","0.003","12.964","0.002","90","","108.532","0.005","90","","2255.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Cl N2 O7 Zn2 -","- C18 H27 Cl N2 O7 Zn2 -","- C72 H108 Cl4 N8 O28 Zn8 -","4","1","","Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik","The interplay between coordination and non-covalent interactions in three zinc coordination polymers","CrystEngComm","2025","27","33","5583","5594","10.1039/D5CE00505A","","","0.71073","MoKα","","0.0786","0.0622","","","0.1706","0.1937","","","","","","1.054","","","","has coordinates,has disorder","302570","2025-10-06","08:25:50",""
"1575258","10.507","0.0001","10.7999","0.0002","22.6843","0.0003","90","","103.214","0.0007","90","","2505.94","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O11 -","- C28 H31 N O11 -","- C112 H124 N4 O44 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar","Influence of the crystallisation approach on multicomponent systems of palmatine chloride","CrystEngComm","2025","27","35","5901","5917","10.1039/D5CE00441A","","","0.71073","MoKα","","0.0904","0.0426","","","0.1035","0.1173","","","","","","1.013","","","","has coordinates","302583","2025-10-06","08:31:58",""
"1575259","24.428","0.003","13.7192","0.0016","22.38","0.003","90","","90.459","0.004","90","","7500","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H80 N2 O21 S -","- C90 H80 N2 O21 S -","- C360 H320 N8 O84 S4 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar","Influence of the crystallisation approach on multicomponent systems of palmatine chloride","CrystEngComm","2025","27","35","5901","5917","10.1039/D5CE00441A","","","0.71073","MoKα","","0.194","0.0674","","","0.1637","0.2391","","","","","","1.022","","","","has coordinates,has disorder","302583","2025-10-06","08:31:59",""
"1575260","8.3964","0.0002","28.9669","0.0005","11.1056","0.0002","90","","103.121","0.001","90","","2630.56","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl N O9 -","- C28 H30 Cl N O9 -","- C112 H120 Cl4 N4 O36 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar","Influence of the crystallisation approach on multicomponent systems of palmatine chloride","CrystEngComm","2025","27","35","5901","5917","10.1039/D5CE00441A","","","0.71073","MoKα","","0.1313","0.0672","","","0.1441","0.179","","","","","","1.044","","","","has coordinates","302583","2025-10-06","08:32:02",""
"1575370","9.6872","0.0007","15.0069","0.0008","18.0085","0.0011","90","","90","","90","","2618","0.3","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.2279","0.0828","","","0.1812","0.2493","","","","","","0.998","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575371","9.2453","0.0005","15.1879","0.0008","18.1544","0.0008","90","","90","","90","","2549.2","0.2","268","","268","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.1331","0.0737","","","0.1255","0.152","","","","","","1.104","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575372","9.2125","0.0004","15.0829","0.0006","18.0498","0.0005","90","","90","","90","","2508.04","0.16","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.0837","0.055","","","0.0981","0.1107","","","","","","1.111","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575373","9.6828","0.0005","15.0274","0.0008","18.0229","0.0007","90","","90","","90","","2622.5","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.1649","0.0983","","","0.1914","0.2243","","","","","","1.11","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575374","9.2308","0.0005","15.1453","0.0007","18.117","0.0008","90","","90","","90","","2532.8","0.2","223","","223","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.1116","0.0731","","","0.1164","0.1317","","","","","","1.128","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575375","25.5409","0.0013","13.6195","0.0007","17.9158","0.0009","90","","91.346","0.002","90","","6230.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C221 H233 Co12 N23 O79 -","- C221 H233 Co12 N23 O79 -","- C221 H233 Co12 N23 O79 -","1","0.25","","Singh, Reetika; Singh, Udai P.; Verma, Pankaj; Kashyap, Sujata; Butcher, Ray J.; Ghosh, Chandrachur; Roy, Partha","Co/Zn metal–organic frameworks with an anthracene-based ligand: cell imaging and catalytic studies","CrystEngComm","2025","27","34","5714","5734","10.1039/D5CE00291E","","","0.71073","MoKα","","0.0872","0.0661","","","0.17","0.1851","","","","","","1.037","","","","has coordinates,has disorder","302589","2025-10-06","08:33:33",""
"1575376","16.284","0.003","15.365","0.003","25.03","0.004","90","","104.932","0.005","90","","6051.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H62 N6 O18 Zn3 -","- C60 H62 N6 O18 Zn3 -","- C240 H248 N24 O72 Zn12 -","4","1","","Singh, Reetika; Singh, Udai P.; Verma, Pankaj; Kashyap, Sujata; Butcher, Ray J.; Ghosh, Chandrachur; Roy, Partha","Co/Zn metal–organic frameworks with an anthracene-based ligand: cell imaging and catalytic studies","CrystEngComm","2025","27","34","5714","5734","10.1039/D5CE00291E","","","0.71073","MoKα","","0.1238","0.0637","","","0.1445","0.1798","","","","","","1.031","","","","has coordinates,has disorder","302589","2025-10-06","08:33:35",""
"1575411","13.6984","0.0002","13.7841","0.0002","14.6009","0.0002","85.913","0.001","71.484","0.001","79.521","0.001","2570.36","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 -","- C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 -","- C122 H68 Cl4 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.0857","0.0686","","","0.1915","0.2038","","","","","","1.038","","","","has coordinates,has disorder","302595","2025-10-06","08:35:44",""
"1575412","13.754","0.0002","13.8852","0.0002","14.6689","0.0003","71.394","0.002","86.012","0.001","79.459","0.001","2610.01","0.08","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H13.6 Cl0.8 F4.8 P0.79 S2 -","- C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 -","- C122 H68 Cl4 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.1079","0.0837","","","0.2374","0.2592","","","","","","1.057","","","","has coordinates,has disorder","302595","2025-10-06","08:35:44",""
"1575413","10.363","0.0005","10.4488","0.0005","15.7822","0.0007","101.434","0.004","108.011","0.004","101.058","0.004","1533.07","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15.33 Cl1.33 O2.67 S2 -","- C26 H15.3333 Cl1.33333 O2.66667 S2 -","- C78 H46 Cl4 O8 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0776","0.0661","","","0.1854","0.1989","","","","","","1.108","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575414","13.6133","0.0003","14.2244","0.0003","14.7406","0.0005","70.481","0.003","86.305","0.002","79.14","0.002","2642.16","0.13","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C122 H70 Br2 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.1158","0.0859","","","0.2478","0.2778","","","","","","1.068","","","","has coordinates","302595","2025-10-06","08:35:45",""
"1575415","10.4433","0.0003","10.5181","0.0004","15.794","0.0005","101.595","0.003","107.772","0.003","101.056","0.003","1557.65","0.1","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15.33 Cl1.33 O2.67 S2 -","- C26 H15.3333 Cl1.33333 O2.66667 S2 -","- C78 H46 Cl4 O8 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0922","0.0787","","","0.2179","0.2347","","","","","","1.062","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575416","13.6644","0.0003","13.9317","0.0004","14.6414","0.0005","70.477","0.003","85.804","0.002","78.781","0.002","2576.71","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C122 H70 As4 Cl2 F24 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0804","0.072","","","0.2013","0.2062","","","","","","1.09","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575417","13.5769","0.0001","14.0578","0.0002","14.6788","0.0002","70.715","0.001","85.976","0.001","79.057","0.001","2596.24","0.06","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H35 Br F12 P2 S5 -","- C61 H35 Br F12 P2 S5 -","- C122 H70 Br2 F24 P4 S10 -","2","1","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.0768","0.0684","","","0.1906","0.199","","","","","","1.025","","","","has coordinates","302595","2025-10-06","08:35:45",""
"1575418","13.5317","0.0002","13.9267","0.0002","14.6385","0.0003","70.766","0.002","85.742","0.001","79.027","0.001","2556.85","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C122 H70 Br2 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.0594","0.0487","","","0.1295","0.1375","","","","","","1.045","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575419","10.5374","0.0002","10.58339","0.00018","15.829","0.0003","101.905","0.0016","107.322","0.0019","101.385","0.0016","1584.41","0.06","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15.33 Cl1.33 O2.67 S2 -","- C26 H15.3333 Cl1.33333 O2.66667 S2 -","- C78 H46 Cl4 O8 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0964","0.0847","","","0.2427","0.2568","","","","","","1.103","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575420","10.5925","0.0003","10.7783","0.0003","15.8611","0.0005","103.313","0.002","105.912","0.003","102.66","0.003","1615.72","0.1","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15.33 Cl0.67 F4 P0.67 S2 -","- C26 H15.3333 Cl0.666667 F4 P0.666667 S2 -","- C78 H46 Cl2 F12 P2 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0746","0.0606","","","0.1578","0.1672","","","","","","1.049","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575421","10.5204","0.0003","10.7353","0.0002","15.743","0.0005","103.036","0.002","105.912","0.003","102.613","0.002","1589.57","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15.33 Cl0.67 F4 P0.67 S2 -","- C26 H15.3333 Cl0.666667 F4 P0.666667 S2 -","- C78 H46 Cl2 F12 P2 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0959","0.0742","","","0.1584","0.1685","","","","","","1.115","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575422","10.6725","0.0002","10.8448","0.0002","15.9759","0.0003","103.766","0.001","105.661","0.002","103.1","0.001","1643.51","0.06","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15.33 Cl0.67 F4 P0.67 S2 -","- C26 H15.3333 Cl0.666667 F4 P0.666667 S2 -","- C78 H46 Cl2 F12 P2 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0713","0.053","","","0.1279","0.1379","","","","","","1.047","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575423","13.6803","0.0004","14.078","0.0004","14.7274","0.0005","70.167","0.003","85.807","0.003","78.842","0.002","2617.61","0.15","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C122 H70 As4 Cl2 F24 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0747","0.0604","","","0.155","0.1631","","","","","","1.056","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575424","13.6804","0.0003","14.2592","0.0004","14.8005","0.0004","69.962","0.002","85.719","0.002","78.822","0.002","2660.82","0.12","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C122 H70 As4 Cl2 F24 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.096","0.0779","","","0.1991","0.2093","","","","","","1.107","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575425","13.7529","0.0003","14.0651","0.0003","14.7342","0.0003","71.18","0.002","86.156","0.002","79.453","0.002","2652.07","0.1","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H13.56 Cl0.8 F4.8 P0.8 S2 -","- C24.4 H13.56 Cl0.8 F4.8 P0.8 S2 -","- C122 H67.8 Cl4 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.1161","0.0888","","","0.2599","0.2843","","","","","","1.053","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575426","14.7753","0.0004","17.2538","0.0004","21.4333","0.0005","89.627","0.002","73.391","0.002","84.665","0.002","5212.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C244 H140 Cl4 F48 S20 Sb8 -","10","5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.091","0.065","","","0.1688","0.1899","","","","","","1.021","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575427","14.8806","0.0002","17.3774","0.0001","21.5631","0.0002","88.976","0.001","72.889","0.001","84.464","0.001","5303.93","0.1","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C122 H70 Cl2 F24 S10 Sb4 -","- C122 H70 Cl2 F24 S10 Sb4 -","- C244 H140 Cl4 F48 S20 Sb8 -","2","1","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0921","0.0845","","","0.2311","0.2369","","","","","","1.095","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575428","14.9609","0.0003","17.5144","0.0002","21.7009","0.0005","88.523","0.002","72.579","0.002","84.107","0.001","5396.74","0.19","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C244 H140 Cl4 F48 S20 Sb8 -","10","5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.1027","0.0848","","","0.2025","0.2142","","","","","","1.113","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575429","6.8429","0.0006","12.8769","0.0012","17.6451","0.0016","106.325","0.004","99.108","0.004","96.639","0.005","1452.1","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H28 N2 O4 -","- C40 H28 N2 O4 -","- C80 H56 N4 O8 -","2","1","","Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit","Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights","CrystEngComm","2025","27","37","6184","6192","10.1039/D5CE00663E","","","0.71073","MoKα","","0.1666","0.0868","","","0.1593","0.1858","","","","","","1.029","","","","has coordinates","302565","2025-10-06","08:24:04",""
"1575430","23.3375","0.0012","10.3912","0.0005","12.0372","0.0006","90","","95.933","0.002","90","","2903.4","0.3","150.01","","150.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N O2 -","- C20 H14 N O2 -","- C160 H112 N8 O16 -","8","1","","Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit","Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights","CrystEngComm","2025","27","37","6184","6192","10.1039/D5CE00663E","","","0.71073","MoKα","","0.0513","0.0444","","","0.1223","0.1279","","","","","","1.082","","","","has coordinates","302565","2025-10-06","08:24:04",""
"1575431","8.7484","0.0006","13.5215","0.0011","13.7453","0.0011","73.799","0.002","75.94","0.002","81.67","0.002","1509.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H26 F2 N3 -","- C40 H26 F2 N3 -","- C80 H52 F4 N6 -","2","1","","Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad","Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals","CrystEngComm","2025","27","38","6303","6313","10.1039/D5CE00619H","","","0.71073","MoKα","","0.1441","0.0637","","","0.1269","0.164","","","","","","1.041","","","","has coordinates","302596","2025-10-06","08:36:07",""
"1575432","15.571","0.012","12.724","0.01","13.505","0.011","90","","125.2","","90","","2186","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 F4 N3 -","- C27 H15 F4 N3 -","- C108 H60 F16 N12 -","4","0.5","","Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad","Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals","CrystEngComm","2025","27","38","6303","6313","10.1039/D5CE00619H","","","0.71073","MoKα","","0.1263","0.0556","","","0.1211","0.1556","","","","","","1.078","","","","has coordinates","302596","2025-10-06","08:36:08",""
"1575493","13.1949","0.0006","10.1933","0.0002","17.92","0.006","90","","101.678","0.014","90","","2360.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0912","0.061","","","0.1798","0.2432","","","","","","1.086","","","","has coordinates","302594","2025-10-06","08:35:03",""
"1575494","13.1052","0.0009","10.1023","0.0003","17.643","0.009","90","","102","0.02","90","","2284.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0958","0.0623","","","0.1922","0.2512","","","","","","0.995","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575495","13.2397","0.0008","10.27","0.0003","18.056","0.008","90","","101.603","0.019","90","","2404.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0618","0.0482","","","0.1157","0.1277","","","","","","1.149","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575496","13.3167","0.0003","11.0072","0.0002","18.382","0.005","90","","98.32","0.009","90","","2666.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 I5 N2 S2 -","- C22 H18 I5 N2 S2 -","- C88 H72 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0392","0.0294","","","0.0671","0.0738","","","","","","0.867","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575497","13.1291","0.0004","10.7512","0.0002","17.97","0.006","90","","99.674","0.011","90","","2500.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0391","0.0298","","","0.076","0.0825","","","","","","1.008","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575498","13.1989","0.0004","10.8516","0.0002","18.127","0.005","90","","98.788","0.009","90","","2565.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0402","0.0296","","","0.0699","0.0782","","","","","","1.027","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575499","8.7103","0.0005","7.0222","0.0004","38.587","0.002","90","","93.329","0.002","90","","2356.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C26 H18 N4 O9 -","- C26 H18 N4 O9 -","- C104 H72 N16 O36 -","4","1","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0566","0.0452","","","0.1153","0.1226","","","","","","1.035","","","","has coordinates","302579","2025-10-06","08:29:26",""
"1575500","10.0194","0.0006","10.189","0.0007","10.6551","0.0007","98.069","0.003","92.813","0.003","108.239","0.003","1017.86","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C46 H33 N5 O12 -","- C46 H33 N5 O12 -","- C46 H33 N5 O12 -","1","0.5","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0553","0.0461","","","0.1315","0.1396","","","","","","1.044","","","","has coordinates,has disorder","302579","2025-10-06","08:29:29",""
"1575501","12.7283","0.0007","24.2867","0.0012","7.7022","0.0004","90","","101.17","0.002","90","","2335.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C26 H18 N4 O9 -","- C26 H18 N4 O9 -","- C104 H72 N16 O36 -","4","1","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0542","0.0459","","","0.1214","0.1293","","","","","","1.011","","","","has coordinates","302579","2025-10-06","08:29:29",""
"1575502","12.7859","0.0015","7.2453","0.0008","25.434","0.003","90","","98.451","0.004","90","","2330.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C26 H18 N4 O9 -","- C26 H18 N4 O9 -","- C104 H72 N16 O36 -","4","1","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0886","0.0619","","","0.1607","0.1747","","","","","","1.102","","","","has coordinates","302579","2025-10-06","08:29:30",""
"1575622","11.6044","0.0003","10.6205","0.0003","17.1687","0.0005","90","","92.03","0.001","90","","2114.62","0.1","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N4 O10 Zn -","- C46 H48 N4 O10 Zn -","- C92 H96 N8 O20 Zn2 -","2","0.5","","Hossain, Ersad; Sk, Ramjan; Layek, Animesh; Pramanik, Samit; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Effect of π⋯π interactions on the conductivity of two 1D coordination polymers through one-pot crystallization","CrystEngComm","2025","27","40","6630","6638","10.1039/D5CE00825E","","","0.71073","MoKα","","0.0419","0.0343","","","0.094","0.0985","","","","","","1.04","","","","has coordinates","303707","2025-11-29","19:15:40",""
"1575623","15.6121","0.0006","7.9358","0.0003","17.1539","0.0006","90","","96.681","0.001","90","","2110.84","0.14","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N4 O8 Zn -","- C46 H44 N4 O8 Zn -","- C92 H88 N8 O16 Zn2 -","2","0.5","","Hossain, Ersad; Sk, Ramjan; Layek, Animesh; Pramanik, Samit; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Effect of π⋯π interactions on the conductivity of two 1D coordination polymers through one-pot crystallization","CrystEngComm","2025","27","40","6630","6638","10.1039/D5CE00825E","","","0.71073","MoKα","","0.0818","0.0548","","","0.1447","0.161","","","","","","1.051","","","","has coordinates","303707","2025-11-29","19:15:41",""
"1575681","45.752","0.009","8.828","0.0018","8.837","0.0018","90","","99.73","0.03","90","","3517.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 I6 N2 O2 Pb2 -","- C12 H24 I6 N2 O2 Pb2 -","- C48 H96 I24 N8 O8 Pb8 -","4","0.5","","Jung, Mi-Hee","Near-infrared light emitting diodes based on an oxygen moiety containing 2D Ruddlesden–Popper perovskites","CrystEngComm","2025","27","40","6660","6671","10.1039/D5CE00805K","","","0.7","","","0.3128","0.2897","","","0.6612","0.677","","","","","","4.982","","","","has coordinates","303704","2025-11-29","19:15:12",""
"1575682","21.235","0.004","54","0.011","8.744","0.0018","90","","90","","90","","10027","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H78 I21 N6 O6 Pb6 -","- C30 H78 I21 N6 O6 Pb6 -","- C120 H312 I84 N24 O24 Pb24 -","4","0.5","","Jung, Mi-Hee","Near-infrared light emitting diodes based on an oxygen moiety containing 2D Ruddlesden–Popper perovskites","CrystEngComm","2025","27","40","6660","6671","10.1039/D5CE00805K","","","0.7","","","0.1401","0.0984","","","0.294","0.3315","","","","","","1.047","","","","has coordinates","303704","2025-11-29","19:15:12",""
"1575742","12.3629","0.0005","16.5072","0.0007","28.5794","0.0017","85.914","0.004","85.67","0.004","74.715","0.004","5602","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","p-sulfonatocalix[6]arene / pentamidine / methanol host-guest complex","","","- C101 H132.56 N12 O40.28 S6 -","- C101 H115.737 N12 O40.277 S6 -","- C202 H231.474 N24 O80.554 S12 -","2","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1725","0.1165","","","0.3104","0.35","","","","","","1.069","","","","has coordinates,has disorder","303703","2025-11-29","19:14:52",""
"1575743","25.024","0.003","13.519","0.002","24.37","0.004","90","","108.954","0.017","90","","7797","2","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","p-sulfonatocalix[4]arene / pentamidine / acetone host-guest complex","","","- C72 H96 N8 O28 S4 -","- C72 H84 N8 O28 S4 -","- C288 H336 N32 O112 S16 -","4","0.5","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1574","0.1234","","","0.3545","0.3988","","","","","","1.116","","","","has coordinates,has disorder","303703","2025-11-29","19:14:53",""
"1575744","34.1908","0.0018","41.4283","0.0012","46.991","0.0018","90","","95.325","0.005","90","","66274","5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / isopropanol host-guest complex","","","- C270 H412 N32 O136 S16 -","- C270 H304 N32 O83 S16 -","- C2160 H2432 N256 O664 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.2894","0.1193","","","0.2802","0.4152","","","","","","0.919","","","","has coordinates,has disorder","303703","2025-11-29","19:14:53",""
"1575745","23.6106","0.0001","30.3731","0.0002","31.5092","0.0002","90","","91.424","0.001","90","","22589.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-sulfonatocalix[4]arene / pentamidine / isopropanol host-guest complex","","","- C216 H286 N24 O77 S12 -","- C216 H282 N24 O77 S12 -","- C864 H1128 N96 O308 S48 -","4","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.0749","0.0601","","","0.162","0.1735","","","","","","1.027","","","","has coordinates","303703","2025-11-29","19:14:53",""
"1575746","34.1908","0.0018","41.4283","0.0012","46.991","0.0018","90","","95.325","0.005","90","","66274","5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / isopropanol host-guest complex","","","- C270 H380.48 N32 O120.24 S16 -","- C270 H304 N32 O119.972 S16 -","- C2160 H2432 N256 O959.776 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.323","0.1333","","","0.3328","0.496","","","","","","0.931","","","","has coordinates,has disorder","303703","2025-11-29","19:14:53",""
"1575747","33.9061","0.0005","41.7359","0.0005","46.4819","0.0007","90","","94.332","0.002","90","","65588.7","1.6","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / ethanol host-guest complex","","","- C269 H376.42 N32 O119.22 S16 -","- C269 H303 N32 O119.214 S16 -","- C2152 H2424 N256 O953.712 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1914","0.1269","","","0.3247","0.3935","","","","","","1.182","","","","has coordinates,has disorder","303703","2025-11-29","19:14:53",""
"1575748","33.9061","0.0005","41.7359","0.0005","46.4819","0.0007","90","","94.332","0.002","90","","65588.7","1.6","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / ethanol host-guest complex","","","- C268 H396.58 N32 O130.29 S16 -","- C268 H300 N32 O84.939 S16 -","- C2144 H2400 N256 O679.512 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1742","0.1141","","","0.3092","0.3796","","","","","","1.138","","","","has coordinates,has disorder","303703","2025-11-29","19:14:53",""
"1575749","10.873","0.009","9.425","0.007","34.44","0.03","90","","90.06","0.02","90","","3529","5","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H58 Cd2 N9 O18 P3 -","- C66 H51 Cd2 N9 O18 P3 -","- C132 H102 Cd4 N18 O36 P6 -","2","1","","Özcan, Elif; Zorlu, Yunus","Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity","CrystEngComm","2025","27","42","6913","6925","10.1039/D5CE00433K","","x-ray","0.71073","MoKα","","0.0875","0.0681","","","0.1489","0.1639","","","","","","1.031","","","","has coordinates,has disorder","303691","2025-11-29","19:10:08",""
"1575750","19.246","0.003","15.706","0.002","19.572","0.003","90","","90.189","0.002","90","","5916.1","1.5","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H44 N3 O22 P3 -","- C52 H44 N3 O22 P3 -","- C208 H176 N12 O88 P12 -","4","1","","Özcan, Elif; Zorlu, Yunus","Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity","CrystEngComm","2025","27","42","6913","6925","10.1039/D5CE00433K","","","0.71073","MoKα","","0.0676","0.0527","","","0.1212","0.1276","","","","","","0.953","","","","has coordinates","303691","2025-11-29","19:10:08",""
"1575751","12.229","0.008","17.228","0.011","19.403","0.012","75.499","0.011","78.521","0.012","84.495","0.013","3874","4","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H71 Cd2 N10 O20 P3 -","- C68 H50 Cd2 N7 O17 P3 -","- C136 H100 Cd4 N14 O34 P6 -","2","1","","Özcan, Elif; Zorlu, Yunus","Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity","CrystEngComm","2025","27","42","6913","6925","10.1039/D5CE00433K","","x-ray","0.71073","MoKα","","0.1254","0.0722","","","0.1607","0.1777","","","","","","0.988","","","","has coordinates","303691","2025-11-29","19:10:08",""
"1575752","12.6939","0.0003","13.0267","0.0003","18.5039","0.0005","84.192","0.001","76.836","0.001","61.861","0.001","2627.18","0.12","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H74 Cl2 N4 O2 -","- C51 H74 Cl2 N4 O2 -","- C102 H148 Cl4 N8 O4 -","2","1","","Juma, David O.; Zamisa, Sizwe J.; Sharma, Anamika; Bongoza, Unathi; Njogu, Eric M.; Albericio, Fernando; Omondi, Bernard","Computational and structural insights into the zwitterionic and neutral forms of N-substituted hydroxyformamidines in the solid state","CrystEngComm","2025","27","39","6508","6522","10.1039/D5CE00521C","","","0.71073","MoKα","","0.1136","0.0782","","","0.228","0.2677","","","","","","1.0554","","","","has coordinates","303692","2025-11-29","19:10:27",""
"1575753","7.576","0.0003","23.9624","0.0008","13.8352","0.0004","90","","100.932","0.002","90","","2466.05","0.15","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F4 N2 O -","- C13 H8 F4 N2 O -","- C104 H64 F32 N16 O8 -","8","2","","Juma, David O.; Zamisa, Sizwe J.; Sharma, Anamika; Bongoza, Unathi; Njogu, Eric M.; Albericio, Fernando; Omondi, Bernard","Computational and structural insights into the zwitterionic and neutral forms of N-substituted hydroxyformamidines in the solid state","CrystEngComm","2025","27","39","6508","6522","10.1039/D5CE00521C","","x-ray","0.71073","MoKα","","0.0505","0.0416","","","0.1062","0.1146","","","","","","1.053","","","","has coordinates","303692","2025-11-29","19:10:28",""
"7249460","16.07317","0.0001","6.24689","0.00004","35.5828","0.0002","90","","101.201","0.0006","90","","3504.71","0.04","100","0.2","100","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Sakshi,; Gupta, Yogita; Robertson, Craig M.; Munshi, Parthapratim; Roy Choudhury, Angshuman","Organic fluorine mediated intermolecular interactions: insights from experimental and theoretical charge density analyses","CrystEngComm","2025","27","4","478","487","10.1039/D4CE00829D","","x-ray","0.71073","MoKα","","0.0368","0.0326","","","0.105","0.1092","","","","","","1.081","","","","has coordinates","298190","2025-03-04","19:45:46",""
"7249599","11.6467","0.0003","5.656","0.0001","31.9545","0.0012","90","","90","","90","","2104.96","0.1","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H6 F3 N5 O4 -","- C6 H6 F3 N5 O4 -","- C48 H48 F24 N40 O32 -","8","2","","Yin, Dangyue; Yang, Boqian; Lv, Hongyu; Song, Siwei; Wang, Yi; Zhang, Qinghua","3,5-Dinitro-1-(3,3,3-trifluoropropyl)-1H-pyrazol-4-amine as an insensitive and thermostable energetic melt-castable material","CrystEngComm","2025","27","1","8","12","10.1039/D4CE01036A","","","1.54178","CuKα","","0.0785","0.0664","","","0.1828","0.1933","","","","","","1.056","","","","has coordinates","298177","2025-03-04","19:40:07",""
"7249601","12.7721","0.0003","9.5804","0.0002","19.5867","0.0004","90","","101.106","0.002","90","","2351.78","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H8 Hg O3 S -","- C11 H8 Hg O3 S -","- C88 H64 Hg8 O24 S8 -","8","2","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav","On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers","CrystEngComm","2025","27","1","64","80","10.1039/D4CE00879K","","x-ray","1.54184","CuKα","","0.0402","0.0396","","","0.1001","0.1005","","","","","","1.24","","","","has coordinates","298173","2025-03-04","19:38:19",""
"7249602","6.112","0.0002","7.8713","0.0003","14.3546","0.0008","101.423","0.004","102.236","0.004","90.002","0.003","660.9","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Hg O3 S -","- C12 H10 Hg O3 S -","- C24 H20 Hg2 O6 S2 -","2","1","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav","On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers","CrystEngComm","2025","27","1","64","80","10.1039/D4CE00879K","","x-ray","0.71073","MoKα","","0.0487","0.0396","","","0.0717","0.075","","","","","","1.075","","","","has coordinates,has disorder","298173","2025-03-04","19:38:19",""
"7249622","32.329","0.0019","32.329","0.0019","7.1254","0.0005","90","","90","","120","","6449.5","0.7","296","","296","","","","","","","","","3","P 64","P 64","172","","","","- C33.05 H56.45 O2 -","- C32 H54 O2 -","- C192 H324 O12 -","6","1","","Khotchasanthong, Kenika; Pootaeng-On, Yupa; Rayanil, Kanok-on; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong","Structure features of a supramolecular organic framework self-assembled from a chiral natural compound","CrystEngComm","2025","27","3","297","301","10.1039/D4CE01008F","","x-ray","0.71073","MoKα","K-L~3~","0.0646","0.0426","","","0.0958","0.1042","","","","","","0.978","","","","has coordinates,has disorder","298221","2025-03-04","19:53:27",""
"7249623","10.201","0.004","10.349","0.004","11.762","0.005","86.291","0.01","74.948","0.008","78.418","0.009","1174.6","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Cu3 N8 O12 -","- C42 H50 Cu3 N8 O12 -","- C42 H50 Cu3 N8 O12 -","1","0.5","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.2009","0.0992","","","0.2171","0.2669","","","","","","1.056","","","","has coordinates","298197","2025-03-04","19:47:19",""
"7249624","8.7721","0.0012","11.1218","0.0016","13.0204","0.0018","91.724","0.003","107.466","0.003","105.767","0.003","1157.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cu N8 O3 -","- C24 H20 Cu N8 O3 -","- C48 H40 Cu2 N16 O6 -","2","1","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.2104","0.074","","","0.1243","0.1699","","","","","","0.961","","","","has coordinates","298197","2025-03-04","19:47:20",""
"7249625","5.1202","0.0003","7.4808","0.0004","30.0866","0.0017","94.0667","0.0011","92.6734","0.0011","95.8618","0.0012","1141.81","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cu N4 O7 -","- C21 H28 Cu N4 O7 -","- C42 H56 Cu2 N8 O14 -","2","1","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.0363","0.0325","","","0.0847","0.0872","","","","","","1.045","","","","has coordinates","298197","2025-03-04","19:47:20",""
"7249627","15.043","0.003","7.2223","0.0013","23.229","0.004","90","","100.863","0.005","90","","2478.5","0.8","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N4 O2 S -","- C27 H28 N4 O2 S -","- C108 H112 N16 O8 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.126","0.0658","","","0.1601","0.1944","","","","","","1.024","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249628","3.968","0.002","19.46","0.011","25.084","0.013","90","","91.79","0.02","90","","1936","1.8","297","2","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl2 N3 S -","- C22 H15 Cl2 N3 S -","- C88 H60 Cl8 N12 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1621","0.0778","","","0.1701","0.2131","","","","","","1.046","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249629","24.961","0.006","17.276","0.004","14.02","0.003","90","","122.367","0.007","90","","5106","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 Cl10 N6 S2 Zn -","- C46 H30 Cl10 N6 S2 Zn -","- C184 H120 Cl40 N24 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0907","0.0773","","","0.221","0.2322","","","","","","1.075","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249630","31.105","0.003","9.3163","0.001","19.108","0.002","90","","118.737","0.003","90","","4855.2","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 N8 O4 S2 Zn -","- C52 H50 N8 O4 S2 Zn -","- C208 H200 N32 O16 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0756","0.0473","","","0.1203","0.1543","","","","","","1.188","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249631","9.909","0.005","15.867","0.009","18.059","0.01","105.037","0.019","97.95","0.02","103.998","0.019","2599","2","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C46.2 H30.2 Cl10.6 N6 S2 Zn -","- C45 H29 Cl7 N6 S2 Zn -","- C90 H58 Cl14 N12 S4 Zn2 -","2","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1161","0.0734","","","0.2175","0.2425","","","","","","1.069","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249632","8.74","0.003","16.268","0.006","18.987","0.007","83.243","0.012","85.719","0.013","85.156","0.013","2665.6","1.7","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H57 N9 O5 S2 Zn -","- C55 H57 N9 O5 S2 Zn -","- C110 H114 N18 O10 S4 Zn2 -","2","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0839","0.0625","","","0.1655","0.1787","","","","","","1.014","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249633","8.1754","0.0006","19.3485","0.0014","23.8411","0.0018","90","","90","","90","","3771.2","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 O S -","- C23 H19 N3 O S -","- C184 H152 N24 O8 S8 -","8","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0656","0.0425","","","0.0998","0.1105","","","","","","1.036","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249634","25.202","0.002","9.4183","0.0009","20.248","0.002","90","","90","","90","","4806.1","0.8","144","2","144","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C46 H30 Cl10 N6 S2 Zn -","- C46 H30 Cl10 N6 S2 Zn -","- C184 H120 Cl40 N24 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0755","0.0677","","","0.1734","0.1827","","","","","","1.042","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249635","4.4462","0.0003","18.662","0.0014","22.7605","0.0017","90","","90","","90","","1888.6","0.2","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Cl2 N3 S -","- C22 H15 Cl2 N3 S -","- C88 H60 Cl8 N12 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1264","0.0642","","","0.1084","0.1401","","","","","","1.176","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249638","7.37282","0.00015","9.47074","0.0002","11.36393","0.00022","90","","103.801","0.0011","90","","770.59","0.03","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","HoCr3(BO3)4","- B4 Cr3 Ho O12 -","- B4 Cr3 Ho O12 -","- B16 Cr12 Ho4 O48 -","4","0.5","","Moshkina, Evgeniya; Mikhashenok, Natalya; Kokh, Dieter; Pavlovskiy, Maxim; Cherepakhin, Alexander; Eremin, Evgeniy; Zolotov, Andrey; Molokeev, Maxim","Study of flux growth of Cr-containing borates and oxyborates under the conditions of low Cr2O3 solubility","CrystEngComm","2025","27","2","226","237","10.1039/D4CE00943F","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.16","2.44","","","","","","","has coordinates","298194","2025-03-04","19:46:39",""
"7249640","10.7282","0.0009","10.7734","0.0009","11.9845","0.0011","85.55","0.002","65.237","0.002","64.849","0.002","1130.01","0.17","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 F3 N5 O3 -","- C25 H18 F3 N5 O3 -","- C50 H36 F6 N10 O6 -","2","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.0718","0.0502","","","0.1207","0.1397","","","","","","1.071","","","","has coordinates","298191","2025-03-04","19:46:09",""
"7249641","8.012","0.0003","16.7621","0.0007","12.6282","0.0005","90","","91.0102","0.0003","90","","1695.68","0.12","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.1065","0.0514","","","0.1286","0.1809","","","","","","1.076","","","","has coordinates,has disorder","298191","2025-03-04","19:46:09",""
"7249642","12.1866","0.0013","14.7266","0.0016","26.278","0.003","90","","99.145","0.003","90","","4656.1","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C208 H184 N24 O40 -","8","2","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.1347","0.0634","","","0.1572","0.1847","","","","","","0.976","","","","has coordinates","298191","2025-03-04","19:46:09",""
"7249643","8.56884","0.00006","8.56884","0.00006","30.61946","0.00018","90","","90","","120","","1947.03","0.02","169.98","0.1","170","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0336","0.0318","","","0.0746","0.0757","","","","","","1.055","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249644","8.61755","0.00019","8.61755","0.00019","30.5882","0.0006","90","","90","","120","","1967.22","0.07","270","1","270.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0347","0.0313","","","0.0821","0.0849","","","","","","1.046","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249645","12.0896","0.00008","20.35323","0.00015","13.73806","0.00009","90","","90","","90","","3380.42","0.04","100","1","100","1","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C19.41 H30.22 Cu2 N8 O8.59 -","- C19.406 H30.218 Cu2 N8 O8.594 -","- C77.624 H120.872 Cu8 N32 O34.376 -","4","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","0.7","synchrotron","","0.0296","0.0296","","","0.0805","0.0805","","","","","","1.047","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249646","8.3611","0.001","8.3611","0.001","30.45","0.003","90","","90","","120","","1843.5","0.4","370","1","370","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H26 Cu2 N8 O7 -","- C18 H24 Cu2 N8 O7 -","- C54 H72 Cu6 N24 O21 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.1029","0.0752","","","0.1967","0.2266","","","","","","0.963","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249647","12.09436","0.00016","13.9509","0.0002","20.3839","0.0003","90","","90","","90","","3439.32","0.08","170","1","170","1","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C18 H28 Cu2 N8 O8 -","- C18 H28 Cu2 N8 O8 -","- C72 H112 Cu8 N32 O32 -","4","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","1.54184","CuKα","","0.0299","0.0298","","","0.0816","0.0818","","","","","","1.042","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249648","13.3717","0.0009","13.3717","0.0009","36.41","0.002","90","","90","","120","","5638","0.6","150","1","150","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25.5 H54 Cu2 N8 O13.5 -","- C25.5 H54 Cu2 N8 O13.5 -","- C153 H324 Cu12 N48 O81 -","6","1","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","0.71073","MoKα","","0.1463","0.1068","","","0.1967","0.2223","","","","","","1.062","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249650","7.2425","0.0002","26.0431","0.0009","6.4409","0.0002","90","","90","","90","","1214.86","0.07","292.92","0.1","292.92","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H3 K N O3 -","- C5 H3 K N O3 -","- C40 H24 K8 N8 O24 -","8","1","","Simosono, Cintia A.; Flores, Leonã S.; Simões, Tatiana R. G.; do Pim, Walace D.; Julve, Miguel; Marinho, Maria Vanda","Oxamate-based potassium–organic assembly with the uncommon binodal (6,12)-coordinated alb topology","CrystEngComm","2025","27","2","176","183","10.1039/D4CE01066C","","x-ray","0.71073","MoKα","","0.0402","0.0339","","","0.0764","0.0793","","","","","","1.066","","","","has coordinates","298192","2025-03-04","19:46:18",""
"7249652","8.1644","0.001","14.9055","0.0016","15.8041","0.0018","90","","103.034","0.004","90","","1873.7","0.4","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cu I3 N4 -","- C10 H18 Cu I3 N4 -","- C40 H72 Cu4 I12 N16 -","4","0.5","","Han, Jiali; Zhu, Shujun; Chen, Xinxin; Zhou, Haichao; Pan, Jianguo; Pan, Shangke","Optical properties of [MMim]2[CuI3] crystals with 0D single-core trigonal planar structures","CrystEngComm","2025","27","1","38","45","10.1039/D4CE00750F","","x-ray","0.71073","MoKα","","0.0406","0.0322","","","0.0705","0.0757","","","","","","1.028","","","","has coordinates","298174","2025-03-04","19:38:29",""
"7249653","8.7857","0.0005","18.8668","0.0011","20.7919","0.0013","113.758","0.002","95.709","0.002","102.086","0.002","3018.7","0.3","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 N6 O16 S3 Tb3 -","- C60 H32 N6 O16 S3 Tb3 -","- C120 H64 N12 O32 S6 Tb6 -","2","1","","Xu, Shi-Xian; Lu, Na; Wang, Li; Liu, Sui-Jun","Chain-based fluorescent TbIII metal–organic framework with good stability as a blue-shift and turn-on sensor toward H2PO4−","CrystEngComm","2025","27","3","415","420","10.1039/D4CE01073F","","","0.71073","MoKα","","0.0786","0.0562","","","0.1401","0.1535","","","","","","1.036","","","","has coordinates","298217","2025-03-04","19:51:35",""
"7249654","6.514","0.0001","32.543","0.0008","12.9337","0.0003","90","","92.843","0.002","90","","2738.38","0.1","100","0.1","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H6 N16 O16 -","- C22.006 H6 N16.006 O16.006 -","- C88.024 H24 N64.024 O64.024 -","4","1","","Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S.","Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials","CrystEngComm","2025","27","3","386","399","10.1039/D4CE01081G","","x-ray","1.54184","CuKα","","0.0962","0.0935","","","0.2444","0.2462","","","","","","1.058","","","","has coordinates,has disorder","298225","2025-03-04","19:54:32",""
"7249655","7.5638","0.0002","9.2989","0.0002","15.196","0.0004","93.97","0.001","92.746","0.001","100.653","0.001","1045.86","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 N14 O9 -","- C18 H8 N14 O9 -","- C36 H16 N28 O18 -","2","1","","Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S.","Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials","CrystEngComm","2025","27","3","386","399","10.1039/D4CE01081G","","","0.71073","MoKα","","0.0889","0.0481","","","0.1228","0.155","","","","","","1.03","","","","has coordinates,has disorder","298225","2025-03-04","19:54:33",""
"7249656","7.6589","0.0003","8.3363","0.0003","22.852","0.0013","96.08","0.004","94.163","0.004","97.24","0.003","1433.78","0.11","146.55","0.16","146.55","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cd2 N9 O8 -","- C31 H23 Cd2 N9 O8 -","- C62 H46 Cd4 N18 O16 -","2","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","x-ray","0.71073","MoKα","","0.041","0.0323","","","0.0634","0.069","","","","","","1.031","","","","has coordinates","298219","2025-03-04","19:52:14",""
"7249657","28.303","0.004","11.5779","0.0017","18.807","0.003","90","","128.062","0.002","90","","4852.3","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H19 Cd N9 O5.5 -","- C24.5 H19 Cd N9 O5.5 -","- C196 H152 Cd8 N72 O44 -","8","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","","0.71073","MoKα","","0.0407","0.0288","","","0.0638","0.0674","","","","","","1.031","","","","has coordinates","298219","2025-03-04","19:52:18",""
"7249658","12.7084","0.0018","14.097","0.002","14.426","0.002","82.747","0.003","83.256","0.003","75.061","0.002","2467.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38.5 Cd2 Cl0.5 N18 O11 -","- C49 H38.5 Cd2 Cl0.5 N18 O11 -","- C98 H77 Cd4 Cl N36 O22 -","2","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","","0.71073","MoKα","","0.0478","0.0397","","","0.109","0.1122","","","","","","1.067","","","","has coordinates","298219","2025-03-04","19:52:34",""
"7249659","15.9636","0.0003","6.6463","0.0001","11.5269","0.0002","90","","98.41","0.002","90","","1209.84","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0437","0.038","","","0.1038","0.1089","","","","","","1.066","","","","has coordinates","298175","2025-03-04","19:38:47",""
"7249660","7.8402","0.0001","12.4111","0.0001","12.473","0.0001","90","","96.746","0.001","90","","1205.29","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S-a-MBACY","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","2","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0336","0.0329","","","0.0907","0.0915","","","","","","1.056","","","","has coordinates","298175","2025-03-04","19:38:49",""
"7249661","7.8401","0.0001","12.4094","0.0001","12.4685","0.0001","90","","96.71","0.001","90","","1204.76","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","2","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0416","0.0388","","","0.1042","0.107","","","","","","1.049","","","","has coordinates","298175","2025-03-04","19:38:49",""
"7249663","9.6534","0.0018","9.6534","0.0018","16.438","0.005","90","","90","","120","","1326.6","0.5","120.15","","298.15","","","","","","","","","4","P 63 m c","P 6c -2c","186","Phpm","TAC-HMTA","","- C18 H30 N14 S6 -","- C18 H30 N14 S6 -","- C36 H60 N28 S12 -","2","0.166667","","Yan, Wenjin; Wang, Tianwei; Hu, Yingxin; Chen, Longming; Wang, Peng; Pang, Chaoran; Lu, Rongwen; Zhang, Shufen","Two stacking types of three-dimensional cocrystal structures based on multiple hydrogen bonds","CrystEngComm","2025","27","2","269","276","10.1039/D4CE01071J","","","0.71073","MoKα","","0.0598","0.0455","","","0.1058","0.114","","","","","","1.057","","","","has coordinates","298198","2025-03-04","19:47:29",""
"7249664","15.4259","0.0002","21.5068","0.0003","15.6995","0.0002","90","","112.973","0.001","90","","4795.4","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83 H101 Cl6 N O28 Pb2 S8 -","- C83 H101 Cl6 N O28 Pb2 S8 -","- C166 H202 Cl12 N2 O56 Pb4 S16 -","2","0.5","","Kim, Seulgi; Ju, Kyunghye; Kim, Taehun; Park, In-Hyeok","An unsymmetrically sandwiched bis(O3S2-macrocycle) lead(ii) complex via an endo/exo-coordination mode","CrystEngComm","2025","27","11","1529","1533","10.1039/D4CE01045K","","","0.71073","MoKα","","0.0553","0.0369","","","0.0745","0.0807","","","","","","1.031","","","","has coordinates,has disorder","298861","2025-04-05","02:41:20",""
"7249665","6.1429","0.00003","8.10668","0.00005","17.96048","0.00008","90","","93.279","0.0005","90","","892.941","0.008","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Br N4 O3 -","- C8 H3 Br N4 O3 -","- C32 H12 Br4 N16 O12 -","4","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.022","0.022","","","0.0524","0.0524","","","","","","1.18","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249666","8.6295","0.0002","6.38437","0.00016","16.6319","0.0004","90","","91.796","0.002","90","","915.87","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Br N4 O3 -","- C8 H3 Br N4 O3 -","- C32 H12 Br4 N16 O12 -","4","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.0259","0.0254","","","0.0697","0.0701","","","","","","1.112","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249667","8.14289","0.0001","5.60083","0.00007","9.26194","0.00011","90","","105.499","0.0013","90","","407.048","0.009","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H3 F N4 O3 -","- C8 H3 F N4 O3 -","- C16 H6 F2 N8 O6 -","2","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.0283","0.0282","","","0.0713","0.0714","","","","","","1.082","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249668","8.2076","0.0003","6.3054","0.0002","8.5808","0.0003","90","","108.588","0.003","90","","420.91","0.03","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 N4 O2 -","- C9 H6 N4 O2 -","- C18 H12 N8 O4 -","2","0.5","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.04","0.0382","","","0.1027","0.1041","","","","","","1.097","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249669","5.89689","0.00013","8.54466","0.00018","9.10721","0.00012","77.3481","0.0015","87.0582","0.0015","80.0249","0.0018","440.931","0.015","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 N4 O3 -","- C9 H6 N4 O3 -","- C18 H12 N8 O6 -","2","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.037","0.0359","","","0.0994","0.1004","","","","","","1.062","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249670","11.5164","0.0004","16.3636","0.0006","16.3579","0.0006","75.334","0.002","83.411","0.001","74.951","0.002","2875.96","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H59 B2 Co Fe2 N25 O9 -","- C43 H59 B2 Co Fe2 N25 O9 -","- C86 H118 B4 Co2 Fe4 N50 O18 -","2","1","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","","0.71073","MoKα","","0.0828","0.0629","","","0.1696","0.1872","","","","","","1.06","","","","has coordinates","298220","2025-03-04","19:53:00",""
"7249671","10.9427","0.0011","13.2533","0.0014","14.3559","0.0015","69.317","0.003","75.823","0.003","69.273","0.003","1804.5","0.3","101.42","","101.42","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","1","0.5","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","x-ray","0.71073","MoKα","","0.0396","0.0302","","","0.0772","0.0819","","","","","","1.047","","","","has coordinates","298220","2025-03-04","19:53:01",""
"7249672","12.1471","0.0008","26.0291","0.0014","12.147","0.0008","90","","106.52","","90","","3682.1","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B2 Co F4 Fe N16 O2 -","- C29 H31 B2 Co F4 Fe N16 O2 -","- C116 H124 B8 Co4 F16 Fe4 N64 O8 -","4","1","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","x-ray","1.34139","GaKα","","0.1083","0.0826","","","0.2033","0.2145","","","","","","1.044","","","","has coordinates","298220","2025-03-04","19:53:02",""
"7249673","7.6704","0.0002","8.0941","0.0003","8.4392","0.0003","90.866","0.001","109.238","0.001","92.487","0.001","493.98","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 Cs N12 -","- C4 H3 Cs N12 -","- C8 H6 Cs2 N24 -","2","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","0.71073","MoKα","","0.0183","0.0174","","","0.0434","0.0438","","","","","","1.052","","","","has coordinates","298195","2025-03-04","19:46:49",""
"7249674","12.5111","0.0004","6.5119","0.0002","26.0556","0.0007","90","","90","","90","","2122.78","0.11","223","","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N12 Na O2 -","- C4 H7 N12 Na O2 -","- C32 H56 N96 Na8 O16 -","8","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","1.54178","CuKα","","0.0413","0.0338","","","0.0879","0.0926","","","","","","1.07","","","","has coordinates","298195","2025-03-04","19:46:50",""
"7249675","6.7583","0.0002","7.8975","0.0002","9.8534","0.0003","85.648","0.002","73.651","0.002","87.923","0.002","503.13","0.03","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 K N12 O -","- C4 H5 K N12 O -","- C8 H10 K2 N24 O2 -","2","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","1.54178","CuKα","","0.048","0.0391","","","0.1035","0.1105","","","","","","1.056","","","","has coordinates","298195","2025-03-04","19:46:50",""
"7249676","10.8914","0.0015","13.7161","0.0017","16.245","0.002","74.024","0.006","86.691","0.006","72.279","0.005","2221.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 Cl24 Nd4 O54 -","- C48 Cl24 Nd4 O54 -","- C48 Cl24 Nd4 O54 -","1","0.5","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0483","0.0464","","","0.1016","0.1027","","","","","","1.298","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249677","8.7595","0.0006","6.7789","0.0005","11.8297","0.0009","90","","95.615","0.003","90","","699.07","0.09","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H10 Cl4 O8 Y -","- C8 H10 Cl4 O8 Y -","- C16 H20 Cl8 O16 Y2 -","2","0.5","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0582","0.0486","","","0.1154","0.1208","","","","","","1.071","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249678","8.7604","0.0005","11.5722","0.0006","13.8453","0.0007","90.302","0.002","97.3","0.002","102.131","0.002","1360.39","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl8 K O15 Tb -","- C16 H14 Cl8 K O15 Tb -","- C32 H28 Cl16 K2 O30 Tb2 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0137","0.0133","","","0.0312","0.0313","","","","","","1.077","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249679","8.1777","0.0011","12.7369","0.0019","13.969","0.002","85.23","0.006","77.92","0.006","87.757","0.006","1417.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl8 K La O15 -","- C16 H14 Cl8 K La O15 -","- C32 H28 Cl16 K2 La2 O30 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0327","0.0298","","","0.0731","0.0739","","","","","","1.074","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249680","11.564","0.0006","18.5537","0.0009","12.165","0.0006","90","","90","","90","","2610.1","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H11 Cl8 O13 Y -","- C16 H11 Cl8 O13 Y -","- C64 H44 Cl32 O52 Y4 -","4","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0338","0.0265","","","0.0506","0.0529","","","","","","0.998","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249681","8.2758","0.0003","13.9934","0.0007","14.3376","0.0006","85.9932","0.0014","77.9272","0.0012","75.6109","0.0013","1572.45","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl8 K La O19 -","- C16 H22 Cl8 K La O19 -","- C32 H44 Cl16 K2 La2 O38 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0471","0.0415","","","0.1196","0.1232","","","","","","1.057","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249682","15.8758","0.0003","13.8581","0.0003","27.1887","0.0006","90","","106.2","0.002","90","","5744.2","0.2","138.15","","138.15","","","","","","","","","4","I 1 2 1","I 2y","5","","L-leucinium D-di-p-toluoyltartrate methanol solvate hydrate","","- C26.36 H33.93 N O11.11 -","- C26.357 H33.928 N O11.107 -","- C210.856 H271.424 N8 O88.856 -","8","2","","Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina","Chiral resolution of dl-leucine via salifying tartaric acid derivatives","CrystEngComm","2025","27","2","155","163","10.1039/D4CE01043D","","x-ray","1.54184","CuKα","","0.0659","0.0618","","","0.1778","0.1832","","","","","","1.048","","","","has coordinates,has disorder","298193","2025-03-04","19:46:32",""
"7249683","27.9114","0.0002","12.8536","0.0001","15.9008","0.0001","90","","106.049","0.001","90","","5482.27","0.07","128.15","","128.15","","","","","","","","","4","C 1 2 1","C 2y","5","","D-leucinium D-di-p-toluoyltartrate semihydrate","","- C52 H64 N2 O21 -","- C52 H64 N2 O21 -","- C208 H256 N8 O84 -","4","1","","Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina","Chiral resolution of dl-leucine via salifying tartaric acid derivatives","CrystEngComm","2025","27","2","155","163","10.1039/D4CE01043D","","x-ray","1.54184","CuKα","","0.0387","0.0385","","","0.1079","0.1081","","","","","","1.05","","","","has coordinates","298193","2025-03-04","19:46:32",""
"7249684","20.3798","0.0006","6.49","0.0002","25.5179","0.0007","90","","107.008","0.002","90","","3227.51","0.17","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 N20 O14 S -","- C16 H34 N20 O14 S -","- C64 H136 N80 O56 S4 -","4","0.5","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","1.54178","CuKα","","0.0476","0.0375","","","0.0988","0.1052","","","","","","1.063","","","","has coordinates","298226","2025-03-04","19:54:54",""
"7249685","7.2046","0.0002","12.8063","0.0003","18.89","0.0005","90","","100.014","0.002","90","","1716.32","0.08","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N13 O7 -","- C10 H13 N13 O7 -","- C40 H52 N52 O28 -","4","1","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","298226","2025-03-04","19:54:55",""
"7249686","10.205","0.002","10.512","0.002","11.184","0.003","90.85","0.004","94.688","0.004","96.027","0.004","1188.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 N12 O3 -","- C18 H28 N12 O3 -","- C36 H56 N24 O6 -","2","1","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","0.71073","MoKα","","0.0917","0.0595","","","0.1679","0.1821","","","","","","1.061","","","","has coordinates,has disorder","298226","2025-03-04","19:54:55",""
"7249687","8.5511","0.0003","37.3176","0.0014","16.5685","0.0005","90","","94.354","0.003","90","","5271.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 Cl2 F18 N6 O7 -","- C52 H34 Cl2 F18 N6 O7 -","- C208 H136 Cl8 F72 N24 O28 -","4","1","","Fang, Zong-Bin; Xiao, Yue-Feng; Sun, Chong; Chen, Xinyao; Zhou, Lingyu; Chen, Li; Lu, Qiaomei; Xiao, Wang-Dong; Wu, Shu-Ting","Solubility, crystallization process optimization, and thermal properties of afoxolaner and the single-crystal structure of its hydrate","CrystEngComm","2025","27","6","795","800","10.1039/D4CE00975D","","","1.3405","GaKα","","0.1876","0.1374","","","0.3951","0.4182","","","","","","1.556","","","","has coordinates,has disorder","298201","2025-03-04","19:48:17",""
"7249688","17.3879","0.0003","7.727","0.0001","27.0872","0.0005","90","","94.9551","0.0016","90","","3625.73","0.1","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C50 H34 N4 O2 -","- C50 H34 N4 O2 -","- C200 H136 N16 O8 -","4","0.5","","Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko","Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety","CrystEngComm","2025","27","4","468","473","10.1039/D4CE01027B","","","1.54184","CuKα","","0.0396","0.0379","","","0.0998","0.1011","","","","","","1.042","","","","has coordinates","298188","2025-03-04","19:44:07",""
"7249689","8.6165","0.0001","16.5014","0.0002","13.323","0.0002","90","","107.227","0.0017","90","","1809.34","0.04","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko","Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety","CrystEngComm","2025","27","4","468","473","10.1039/D4CE01027B","","","1.54184","CuKα","","0.0475","0.0463","","","0.1248","0.1261","","","","","","1.082","","","","has coordinates","298188","2025-03-04","19:44:07",""
"7249690","24.309","0.003","17.216","0.002","17.183","0.0019","90","","134.903","0.004","90","","5093.5","1.1","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C84 H60 O38 Th6 -","- C84 H60 O38 Th6 -","- C168 H120 O76 Th12 -","2","0.25","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0368","0.0352","","","0.0988","0.0996","","","","","","1.241","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249691","15.805","0.007","24.801","0.017","23.813","0.012","90","","95.628","0.019","90","","9289","9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H60 O36 Pu6 -","- C84 H60 O36 Pu6 -","- C336 H240 O144 Pu24 -","4","1","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0947","0.0554","","","0.1248","0.1426","","","","","","1.074","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249692","15.8168","0.0009","24.7055","0.0012","23.9238","0.0013","90","","95.234","0.002","90","","9309.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C87.28 H69.83 O40 U6 -","- C87.276 H69.828 O40 U6 -","- C349.104 H279.312 O160 U24 -","4","1","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0542","0.0358","","","0.06","0.0643","","","","","","1.11","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249693","9.6921","0.0008","15.7727","0.0014","12.6377","0.0012","90","","121.623","0.006","90","","1645.1","0.3","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H42 N8 O3 -","- C31 H42 N8 O3 -","- C62 H84 N16 O6 -","2","1","","Martins, Inês C. B.; Belenguer, Ana M.; Lampronti, Giulio I.; Motloch, Petr","Three-phase reversible mechanochemical interconversion of hydrogen-bonded melamine : barbiturate co-crystals: from rosette to linear tape polymorphs","CrystEngComm","2025","27","3","307","310","10.1039/D4CE01230E","powder diffraction","XCelerator","1.54175","CuKα","","","","","","","","","1.6006","2.274","","","","","","","has coordinates","298218","2025-03-04","19:51:44",""
"7249699","13.1546","0.0003","12.9738","0.0003","21.2555","0.0005","90","","101.043","0.002","90","","3560.4","0.14","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 Cu I N2 P2 -","- C39 Cu I N2 P2 -","- C156 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.06","0.0421","","","0.0995","0.1068","","","","","","1.2909","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249700","13.6749","0.0005","12.6744","0.0005","21.4637","0.0008","90","","102.349","0.002","90","","3634","0.2","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cu I N2 P2 -","- C40 H36 Cu I N2 P2 -","- C160 H144 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0851","0.0426","","","0.0817","0.0961","","","","","","1.002","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249701","13.4509","0.0006","12.8405","0.0005","21.9611","0.0009","90","","103.322","0.002","90","","3691","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu I N2 P2 -","- C40 H35 Cu I N2 P2 -","- C160 H140 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0448","0.0333","","","0.0793","0.0845","","","","","","1.036","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249702","13.8302","0.0002","12.6013","0.0002","22.4188","0.0003","90","","105.428","0.001","90","","3766.32","0.1","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 Cu I N2 P2 -","- C41 H38 Cu I N2 P2 -","- C164 H152 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0371","0.0278","","","0.0672","0.0721","","","","","","1.021","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249703","13.6216","0.0006","17.3077","0.0007","18.5961","0.0008","81.85","0.002","77.726","0.002","73.94","0.002","4100.7","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H100 N4 O28 S4 -","- C78 H100 N4 O28 S4 -","- C156 H200 N8 O56 S8 -","2","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","x-ray","1.54178","CuKα","","0.0802","0.0672","","","0.2231","0.2354","","","","","","1.023","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249704","14.5199","0.0005","18.0137","0.0006","20.551","0.0007","104.206","0.002","98.769","0.002","97.896","0.002","5063.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H68 N4 O12 S4 -","- C79 H68 N4 O12 S4 -","- C158 H136 N8 O24 S8 -","2","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","","1.54178","CuKα","","0.1182","0.0988","","","0.3047","0.3251","","","","","","1.119","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249705","12.6165","0.0005","19.6272","0.0008","21.927","0.001","82.317","0.003","78.76","0.002","86.655","0.002","5274.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C222 H198 N12 O36 S12 -","- C222 H198 N12 O36 S12 -","- C222 H198 N12 O36 S12 -","1","0.5","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","","1.54178","CuKα","","0.2149","0.1727","","","0.4183","0.4484","","","","","","0.913","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249706","13.2402","0.0004","39.0334","0.0013","19.5745","0.0006","90","","106.403","0.003","90","","9704.6","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H80 N4 O12 S4 -","- C88 H80 N4 O12 S4 -","- C352 H320 N16 O48 S16 -","4","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","x-ray","1.54184","CuKα","","0.247","0.2048","","","0.4046","0.424","","","","","","1.064","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249716","14.9219","0.0019","8.4923","0.0007","13.0852","0.0017","90","","118.145","0.017","90","","1462.1","0.4","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Fe N4 O10 -","- C12 H8 Fe N4 O10 -","- C48 H32 Fe4 N16 O40 -","4","0.5","","Liu, Jingwei; Cheng, Xiaolong; Dang, Shifa; Kong, Weile; Zheng, Mengxian; Zhang, Lei; Wu, Shuangyan; Liu, Ning; Cao, Jinchao","Exploration of a one-dimensional iron-based coordination polymer for enhanced lithium storage capabilities","CrystEngComm","2025","27","5","687","694","10.1039/D4CE01082E","","","0.71073","MoKα","","0.0707","0.0465","","","0.1151","0.1241","","","","","","1.025","","","","has coordinates","298185","2025-03-04","19:42:46",""
"7249717","12.247","0.001","3.044","0.0002","5.8136","0.0005","90","","103.866","0.004","90","","210.41","0.03","273","2","273","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ga4 O6 Te0 -","- Ga4 O6 -","- Ga8 O12 -","2","0.25","","Song, Yufei; Guo, Xiaojie; Mu, Wenxiang; Tao, Xutang; Gao, Zeliang","Top-seeded solution growth and characterization of β-Ga2O3","CrystEngComm","2025","27","6","814","819","10.1039/D4CE00678J","","","0.71073","MoKα","","0.0282","0.0221","","","0.0513","0.0542","","","","","","1.042","","","","has coordinates","298202","2025-03-04","19:48:26",""
"7249718","13.234","0.007","13.892","0.007","16.543","0.009","109.362","0.007","96.339","0.007","102.534","0.007","2746","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H39 Cl9 N6 O3 -","- C48 H39 Cl9 N6 O3 -","- C96 H78 Cl18 N12 O6 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.2085","0.0918","","","0.2449","0.3105","","","","","","0.984","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249719","9.02","0.02","9.39","0.02","10.71","0.03","84.17","0.03","67.13","0.03","66.09","0.03","762","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Br2 N2 O -","- C16 H14 Br2 N2 O -","- C32 H28 Br4 N4 O2 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.1132","0.0444","","","0.0802","0.0999","","","","","","0.879","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249720","33.696","0.007","10.737","0.002","17.724","0.004","90","","115.638","0.003","90","","5781","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Cl3 N4 O2 -","- C31 H25 Cl3 N4 O2 -","- C248 H200 Cl24 N32 O16 -","8","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.1518","0.0592","","","0.1321","0.1697","","","","","","0.998","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249721","12.106","0.006","13.118","0.006","13.961","0.007","76.807","0.006","75.289","0.006","84.733","0.007","2086.5","1.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Cl2 N6 O3 -","- C46 H38 Cl2 N6 O3 -","- C92 H76 Cl4 N12 O6 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.2213","0.127","","","0.3448","0.4085","","","","","","1.176","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249722","21.7201","0.0011","21.7201","0.0011","4.8629","0.0003","90","","90","","120","","1986.78","0.19","93","","93","","","","","","","","","4","P 32","P 32","145","","","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C72 H108 Cl9 N9 -","9","3","","Tashiro, Shohei","Helical ammonium halide framework constituting polar conglomerate crystals of 2-ethylanilinium chloride","CrystEngComm","2025","27","6","729","735","10.1039/D4CE01084A","","x-ray","1.54184","CuKα","","0.0704","0.0526","","","0.1191","0.131","","","","","","0.979","","","","has coordinates","298203","2025-03-04","19:48:34",""
"7249723","13.768","0.0004","8.245","0.0002","13.9478","0.0004","90","","98.53","0.002","90","","1565.8","0.07","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PropranololHCI","","","- C16 H22 Cl N O2 -","- C16 H22 Cl N O2 -","- C64 H88 Cl4 N4 O8 -","4","1","","Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Pisklak, Dariusz Maciej","Combining X-ray and NMR crystallography to explore the structural disorder in racemic propranolol hydrochloride","CrystEngComm","2025","27","3","433","446","10.1039/D4CE01105H","","","1.54178","CuKα","","0.0408","0.035","","","0.0835","0.0871","","","","","","1.061","","","","has coordinates,has disorder","298223","2025-03-04","19:53:50",""
"7249729","21.4337","0.0018","10.5337","0.0009","12.9683","0.0012","90","","125.723","0.004","90","","2377","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","FluD-MSA(1:1)","","","- C8 H9 F3 N2 O5 S -","- C8 H9 F3 N2 O5 S -","- C64 H72 F24 N16 O40 S8 -","8","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0577","0.0359","","","0.0772","0.087","","","","","","1.03","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249730","7.4154","0.0004","7.5301","0.0004","13.6961","0.0007","90","","100.749","0.002","90","","751.35","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Flu.D-BSA(1:1)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C26 H22 F6 N4 O10 S2 -","2","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0294","0.0278","","","0.0692","0.0701","","","","","","1.057","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249731","10.6002","0.0007","10.6466","0.0007","20.3303","0.0019","90","","90.12","","90","","2294.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","FluD-MSA(2:2)","","","- C8 H9 F3 N2 O5 S -","- C8 H9 F3 N2 O5 S -","- C64 H72 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0316","0.0314","","","0.0807","0.0808","","","","","","1.164","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249732","9.8176","0.0006","7.4895","0.0004","17.8098","0.001","90","","94.428","0.003","90","","1305.63","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Flu.D-PTSA-H2O (1:2:3)","","","- C21 H27 F3 N2 O11 S2 -","- C21 H27 F3 N2 O11 S2 -","- C42 H54 F6 N4 O22 S4 -","2","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.1044","0.056","","","0.098","0.1147","","","","","","1.015","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249733","29.2994","0.0002","7.4757","0.0005","14.7336","0.001","90","","90","","90","","3227.2","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Flu.D-PTSA(2:2)","","","- C14 H13 F3 N2 O5 S -","- C14 H13 F3 N2 O5 S -","- C112 H104 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0429","0.0329","","","0.0679","0.0726","","","","","","1.017","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249734","27.3846","0.0004","7.4463","0.0008","14.8172","0.0017","90","","90","","90","","3021.4","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Flu.D-BSA(2:2)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C104 H88 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0457","0.0362","","","0.0774","0.0807","","","","","","1.059","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249735","12.9132","0.0014","10.6737","0.0011","18.342","0.002","90","","92.616","0.005","90","","2525.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Flu.D-ESA(2:2)","","","- C9 H11 F3 N2 O5 S -","- C9 H11 F3 N2 O5 S -","- C72 H88 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0981","0.0438","","","0.098","0.1216","","","","","","1.014","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249736","7.4616","0.0017","21.345","0.004","27.575","0.006","94.444","0.005","93.278","0.006","94.635","0.006","4355.4","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Flu.D-BSA(6:6)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C156 H132 F36 N24 O60 S12 -","12","6","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.096","0.0444","","","0.0943","0.1167","","","","","","1.019","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249737","28.2765","0.0006","17.2824","0.0003","27.3501","0.0004","90","","99.8503","0.0018","90","","13168.6","0.4","151","12","151","12","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H22 Cd2 F4 N6 O8 -","- C43 H20 Cd2 F4 N6 O8 -","- C344 H160 Cd16 F32 N48 O64 -","8","1","","Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui","A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions","CrystEngComm","2025","27","8","1139","1145","10.1039/D4CE01107D","","x-ray","1.54184","CuKα","","0.0455","0.0427","","","0.1307","0.1326","","","","","","1.076","","","","has coordinates","298178","2025-03-04","19:40:20",""
"7249738","7.0976","0.0004","9.1098","0.0005","11.0003","0.0006","86.013","0.002","84.06","0.002","82.39","0.002","700.08","0.07","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","(BAPPz)Cd2Br8.2H2O","","- C5 H16 Br4 Cd N2 O -","- C5 H16 Br4 Cd N2 O -","- C10 H32 Br8 Cd2 N4 O2 -","2","1","","Lin, Na; Hu, Zhao-Yang; Zhang, Xin-Yue; Zhang, Yu; Sun, Kai-Qi; Lei, Xiao-Wu; Jing, Zhihong; Chen, Zhi-Wei","Zero-dimensional cadmium halide with broad band yellow light emission for white light-emitting diodes","CrystEngComm","2025","27","7","939","947","10.1039/D4CE01174K","","","0.71073","MoKα","","0.0347","0.0299","","","0.073","0.0751","","","","","","1.078","","","","has coordinates,has disorder","298208","2025-03-04","19:49:28",""
"7249749","10.7304","0.0009","11.1991","0.0009","12.3605","0.0008","93.057","0.006","96.405","0.006","99.535","0.007","1451.8","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl2 F3 N7 O4 -","- C26 H28 Cl2 F3 N7 O4 -","- C52 H56 Cl4 F6 N14 O8 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.0837","0.0669","","","0.182","0.2045","","","","","","1.0501","","","","has coordinates","298199","2025-03-04","19:47:51",""
"7249750","12.8844","0.0005","13.7991","0.0008","14.5572","0.0004","105.074","0.004","91.002","0.003","99.969","0.004","2456.06","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl4 N6 O2 -","- C23 H18 Cl4 N6 O2 -","- C92 H72 Cl16 N24 O8 -","4","2","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.1084","0.0935","","","0.2357","0.2462","","","","","","1.049","","","","has coordinates,has disorder","298199","2025-03-04","19:47:51",""
"7249751","8.9451","0.0009","10.4421","0.0009","15.1087","0.0013","75.104","0.007","73.77","0.008","75.903","0.008","1286.8","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N6 O3 -","- C26 H28 Cl2 N6 O3 -","- C52 H56 Cl4 N12 O6 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.0956","0.0745","","","0.2117","0.2345","","","","","","1.0663","","","","has coordinates","298199","2025-03-04","19:47:51",""
"7249752","9.2015","0.0009","11.6771","0.0007","14.8897","0.001","73.59","0.006","76.902","0.007","88.509","0.006","1493.5","0.2","149.9","0.2","149.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Cl2 F3 N6 O2 -","- C23 H17 Cl2 F3 N6 O2 -","- C46 H34 Cl4 F6 N12 O4 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","0.71073","MoKα","","0.0878","0.072","","","0.1978","0.2132","","","","","","1.0409","","","","has coordinates,has disorder","298199","2025-03-04","19:47:51",""
"7249753","6.24","0.0012","10.62","0.002","12.07","0.002","86.29","0.03","82.15","0.03","83.83","0.03","786.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","ethyl 3-benzoyl-7-methoxyindolizine-1-carboxylate","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0428","0.0423","","","0.1142","0.1148","","","","","","1.03","","","","has coordinates","298869","2025-04-05","02:43:18",""
"7249754","9.93","0.002","7.67","0.0015","21.32","0.004","90","","92.52","0.03","90","","1622.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Indolizine","ethyl 7-methoxy-3-(4-methylbenzoyl)indolizine-1-carboxylate","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0361","0.0359","","","0.101","0.1012","","","","","","1.047","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249755","9.55","0.0019","11.38","0.002","11.47","0.002","95.07","0.03","112.65","0.03","113.02","0.03","1016","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Indolizine","diethyl 3-(4-chlorobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate","","- C22 H20 Cl N O6 -","- C22 H20 Cl N O6 -","- C44 H40 Cl2 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0336","0.0335","","","0.0919","0.092","","","","","","1.031","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249756","7.31","0.0015","8.96","0.0018","15.57","0.003","95.17","0.03","101.92","0.03","104.05","0.03","957.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","diethyl 3-benzoyl-7-methoxyindolizine-1,2-dicarboxylate","","- C22 H21 N O6 -","- C22 H21 N O6 -","- C44 H42 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0368","0.0385","","","0.0998","0.1005","","","","","","1","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249757","24.539","0.005","4.481","0.0009","16.013","0.003","90","","97.34","0.03","90","","1746.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Indolizine","ethyl 7-methoxy-2-methyl-3-(4-methylbenzoyl)indolizine-1-carboxylate","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0497","0.0429","","","0.1191","0.1259","","","","","","1.002","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249758","9.58","0.0019","11.38","0.002","11.39","0.002","95.15","0.03","113.08","0.03","112.31","0.03","1014.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","diethyl 7-methoxy-3-(4-methylbenzoyl)indolizine-1,2-dicarboxylate","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C46 H46 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0379","0.0374","","","0.1028","0.1033","","","","","","1.039","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249759","11.833","0.002","17.576","0.004","19.87","0.004","90","","100.91","0.03","90","","4057.8","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Indolizine","diethyl 7-methoxy-3-(4-nitrobenzoyl)indolizine-1,2-dicarboxylate","","- C22 H20 N2 O8 -","- C22 H20 N2 O8 -","- C176 H160 N16 O64 -","8","2","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0628","0.047","","","0.1189","0.129","","","","","","1.037","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249760","12.6512","0.0005","16.6417","0.0006","27.8412","0.001","93.091","0.003","93.967","0.003","111.555","0.003","5418.7","0.4","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","3-Dy","","- C79 H47 Dy3 F54 N8 O22 -","- C79 H47 Dy3 F54 N8 O22 -","- C158 H94 Dy6 F108 N16 O44 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","","0.71073","MoKα","","0.1011","0.086","","","0.2212","0.2318","","","","","","1.054","","","","has coordinates","298182","2025-03-04","19:41:33",""
"7249761","13.3629","0.0004","17.106","0.0005","20.6415","0.0006","83.05","0.003","85.811","0.003","78.097","0.003","4577.4","0.2","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","1-Gd","","- C64 H44 F36 Gd2 N8 O16 -","- C64 H44 F36 Gd2 N8 O16 -","- C128 H88 F72 Gd4 N16 O32 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","","0.71073","MoKα","","0.0798","0.0506","","","0.1216","0.138","","","","","","1.037","","","","has coordinates","298182","2025-03-04","19:41:34",""
"7249762","13.3092","0.0005","17.089","0.0009","20.6746","0.0009","83.017","0.004","85.211","0.003","78.285","0.004","4561.8","0.4","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","2-Nd","","- C64 H44 F36 N8 Nd2 O16 -","- C64 H44 F36 N8 Nd2 O16 -","- C128 H88 F72 N16 Nd4 O32 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","x-ray","0.71073","MoKα","","0.1015","0.0844","","","0.2313","0.2495","","","","","","1.035","","","","has coordinates","298182","2025-03-04","19:41:34",""
"7249764","8.1663","0.0003","10.5584","0.0003","12.5335","0.0004","100.815","0.0012","91.1157","0.0013","111.431","0.0012","983.5","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N2 O18 U2 -","- C38 H38 N2 O18 U2 -","- C38 H38 N2 O18 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0229","0.0202","","","0.0506","0.0522","","","","","","1.058","","","","has coordinates","298204","2025-03-04","19:48:45",""
"7249765","9.7403","0.0005","10.6942","0.0005","10.9139","0.0005","90","","96.3201","0.0019","90","","1129.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O14 U2 -","- C18 H16 N2 O14 U2 -","- C36 H32 N4 O28 U4 -","2","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0194","0.0191","","","0.0469","0.0472","","","","","","1.126","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249766","8.7832","0.0004","9.7665","0.0005","11.6623","0.0006","76.391","0.002","83.846","0.002","81.044","0.002","957.87","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N2 O16 U2 -","- C34 H38 N2 O16 U2 -","- C34 H38 N2 O16 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0467","0.0457","","","0.1179","0.1185","","","","","","1.231","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249767","11.235","0.0004","13.3313","0.0005","14.3587","0.0005","90","","109.338","0.0016","90","","2029.27","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 O17 U2 -","- C38 H36 N2 O17 U2 -","- C76 H72 N4 O34 U4 -","2","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0323","0.0321","","","0.0745","0.0746","","","","","","1.349","","","","has coordinates,has disorder","298204","2025-03-04","19:48:46",""
"7249768","8.4515","0.0003","10.5811","0.0004","10.585","0.0003","75.8824","0.0011","72.1083","0.0012","75.7896","0.0014","858.55","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O20 U2 -","- C32 H30 N2 O20 U2 -","- C32 H30 N2 O20 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0219","0.0206","","","0.051","0.0521","","","","","","1.114","","","","has coordinates,has disorder","298204","2025-03-04","19:48:46",""
"7249769","8.8565","0.0002","9.0719","0.0003","11.6001","0.0003","73.5981","0.0009","86.2684","0.0009","68.7753","0.0009","832.72","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O16 U2 -","- C32 H34 N2 O16 U2 -","- C32 H34 N2 O16 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.02","0.0175","","","0.0419","0.0426","","","","","","1.118","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249770","8.3083","0.0003","9.7524","0.0003","13.3763","0.0005","99.2243","0.0017","100.684","0.0018","108.614","0.0016","980.89","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O18 U2 -","- C36 H32 N4 O18 U2 -","- C36 H32 N4 O18 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0234","0.0223","","","0.0565","0.0574","","","","","","1.118","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249774","14.1331","0.0001","8.8013","0.0001","21.0334","0.0001","90","","105.146","0.0006","90","","2525.45","0.04","95","","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Br F N3 O5 -","- C28 H25 Br F N3 O5 -","- C112 H100 Br4 F4 N12 O20 -","4","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","","1.54184","CuKα","","0.0344","0.0342","","0.09","0.0899","0.09","","","","","","1.0322","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249775","8.4541","0.0001","18.1835","0.0004","41.4054","0.0006","90","","90","","90","","6365.05","0.18","140","","140","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H29 F N4 O8 S -","- C35 H29 F N4 O8 S -","- C280 H232 F8 N32 O64 S8 -","8","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","","1.54184","CuKα","","0.0431","0.0376","","0.0985","0.0945","0.0985","","","","","","1.0167","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249776","8.2418","0.0002","15.0392","0.0003","19.989","0.0004","90","","91.61","0.0018","90","","2476.66","0.09","95","0.2","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl F N3 O5 -","- C28 H25 Cl F N3 O5 -","- C112 H100 Cl4 F4 N12 O20 -","4","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","x-ray","1.54184","CuKα","","0.0376","0.033","","","0.0923","0.0951","","","","1.7055","1.7055","1.6408","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249777","15.3531","0.0004","11.7391","0.0003","18.1384","0.0005","90","","109.297","0.001","90","","3085.45","0.14","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H16 Mn4 Na8 O68 W12 -","- H16 Mn4 Na8 O68 W12 -","- H32 Mn8 Na16 O136 W24 -","2","0.5","","Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui","Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting","CrystEngComm","2025","27","7","974","988","10.1039/D4CE00945B","","","0.71073","MoKα","","0.0536","0.0474","","","0.1268","0.1317","","","","","","1.056","","","","has coordinates","298206","2025-03-04","19:49:14",""
"7249778","13.7848","0.0005","20.9048","0.0007","26.7438","0.0009","90","","97.288","0.001","90","","7644.5","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0.02 H0.02 Cu N0.02 O W -","- C4.09756 H6.43902 Cu0.0174634 N1.17073 O4.19512 W1.17073 -","- C168 H264 Cu0.716 N48 O172 W48 -","41","10.25","","Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui","Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting","CrystEngComm","2025","27","7","974","988","10.1039/D4CE00945B","","","0.71073","MoKα","","0.0816","0.0651","","","0.1874","0.2059","","","","","","1.048","","","","has coordinates","298206","2025-03-04","19:49:14",""
"7249779","7.0255","0.0008","13.8315","0.0014","14.2849","0.0015","90","","99.029","0.011","90","","1370.9","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H12 Cl Cu N2 O6 -","- C12 H12 Cl Cu N2 O6 -","- C48 H48 Cl4 Cu4 N8 O24 -","4","0.5","","Atta, Sawaira; Siddique, Amna; Qasim, Muhammad Naveed; AlDamen, Murad A.; Sheikh, Tahir Ali; Sadullayevich, Normamatov Adkhamjon; Ibragimov, Aziz B.; Akhtar, Muhammad Nadeem","Perchlorate-supported Cu(ii)-based 1D polymeric chains containing 1,10-phenanthroline: synthesis, characterization and adsorption of organic dyes and heavy metal ions","CrystEngComm","2025","27","9","1346","1362","10.1039/D4CE01126K","","x-ray","1.54184","CuKα","","0.067","0.0607","","","0.1693","0.1791","","","","","","1.137","","","","has coordinates","298213","2025-03-04","19:50:56",""
"7249780","6.5124","0.0003","6.7635","0.0002","13.9013","0.0005","81.841","0.003","81.532","0.003","63.93","0.004","541.95","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","1","0.5","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0225","0.0214","","","0.0559","0.0564","","","","","","1.057","","","","has coordinates","298200","2025-03-04","19:48:04",""
"7249781","8.0157","0.0001","8.5707","0.0001","11.0442","0.0001","110.316","0.001","106.348","0.001","95.818","0.001","665.851","0.015","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N6 S4 -","- C8 H8 N6 S4 -","- C16 H16 N12 S8 -","2","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0336","0.0302","","","0.0855","0.0886","","","","","","1.051","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249782","4.4955","0.0001","16.5288","0.0003","14.9573","0.0003","90","","96.579","0.002","90","","1104.09","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N5 O S3 -","- C7 H7 N5 O S3 -","- C28 H28 N20 O4 S12 -","4","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","0.71073","MoKα","","0.0313","0.0254","","","0.0629","0.0646","","","","","","1.108","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249783","19.96872","0.00014","5.45162","0.00003","23.70011","0.00017","90","","111.753","0.0008","90","","2396.31","0.03","293","2","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N10 S8 -","- C14 H12 N10 S8 -","- C56 H48 N40 S32 -","4","0.5","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0238","0.0226","","","0.062","0.0628","","","","","","1.071","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249787","13.86","0.004","4.3787","0.0012","35.14","0.009","90","","93.77","0.004","90","","2128","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pb-btdb","","","- C23 H17 N3 O5 Pb S -","- C23 H17 N3 O5 Pb S -","- C92 H68 N12 O20 Pb4 S4 -","4","1","","Zhang, Hangchuan; Guo, Jingpeng; Liu, Lin; Yu, Zhan; Wei, Na","Thiadiazole-functionalized Pb(ii)-MOF for “turn-on” fluorescence selective sensing of Al3+","CrystEngComm","2025","27","7","956","963","10.1039/D4CE01233J","","","0.71073","MoKα","","0.0466","0.0316","","","0.0616","0.0658","","","","","","1.029","","","","has coordinates","298207","2025-03-04","19:49:21",""
"7249802","8.705","0.0002","10.4508","0.0003","12.106","0.0003","107.888","0.001","103.691","0.001","104.046","0.001","957.24","0.04","300","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 In2 N3 O14.5 P2 -","- C9 H13 In2 N3 O14.5 P2 -","- C18 H26 In4 N6 O29 P4 -","2","1","","Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures","CrystEngComm","2025","27","7","903","907","10.1039/D4CE01135J","","x-ray","0.71073","MoKα","","0.0316","0.0226","","","0.0482","0.0508","","","","","","1.058","","","","has coordinates","298209","2025-03-04","19:49:38",""
"7249803","8.397","0.0002","23.4886","0.0008","9.9675","0.0003","90","","108.292","0.001","90","","1866.59","0.1","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H28 In4 N6 O30 P6 -","- C16 H28 In4 N6 O30 P6 -","- C32 H56 In8 N12 O60 P12 -","2","1","","Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures","CrystEngComm","2025","27","7","903","907","10.1039/D4CE01135J","","","0.71073","MoKα","","0.0416","0.0321","","","0.0695","0.0732","","","","","","1.052","","","","has coordinates","298209","2025-03-04","19:49:38",""
"7249804","21.6779","0.0008","21.6779","0.0008","12.6682","0.0005","90","","90","","120","","5155.6","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H14 Mn2 N8 O4 -","- C18 H14 Mn2 N8 O4 -","- C162 H126 Mn18 N72 O36 -","9","0.5","","Liu, Han-Fu; Hu, Zhi-Rong; Wu, Tai-Xue; Hao, Hong-Mei; Li, Hai-Ye; Huang, Fu-Ping","A 3D rigid Mn-MOF heterogeneous catalyst for thioether oxidation, cyanosilylation and Knoevenagel condensation","CrystEngComm","2025","27","9","1307","1314","10.1039/D4CE01075B","","x-ray","0.71073","MoKα","","0.0769","0.0502","","","0.1178","0.1325","","","","","","1.064","","","","has coordinates","298214","2025-03-04","19:51:07",""
"7249805","8.9753","0.0002","10.8907","0.0002","20.9485","0.0004","85.702","0.002","80.124","0.002","85.417","0.002","2006.95","0.07","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl4 Fe N6 O9 -","- C42 H26 Cl3.989 Fe N6 O9 -","- C84 H52 Cl7.978 Fe2 N12 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0673","0.0524","","","0.1346","0.1418","","","","","","1.096","","","","has coordinates,has disorder","298212","2025-03-04","19:50:40",""
"7249806","8.9669","0.0002","10.9875","0.0002","20.9096","0.0004","85.627","0.001","80.052","0.002","85.213","0.002","2018.03","0.07","292.6","0.3","292.6","0.3","","","","","","","","6","P -1","-P 1","2","","[Co(C15N3H11)2](C6O4H2Cl2)0.5(C6O4HCl2)(C6O4Cl2)0.5(H2O)","","- C42 H26 Cl4 Co N6 O9 -","- C42 H26 Cl4 Co N6 O9 -","- C84 H52 Cl8 Co2 N12 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0715","0.0516","","","0.1255","0.1346","","","","","","1.032","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249807","9.0426","0.0002","9.0675","0.0003","22.4477","0.0006","92.511","0.002","96.2","0.002","90.655","0.002","1827.81","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl1.99 N6 Ni O10.01 -","- C36 H34 Cl1.985 N6 Ni O10 -","- C72 H68 Cl3.97 N12 Ni2 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0847","0.0546","","","0.1088","0.1185","","","","","","1.046","","","","has coordinates,has disorder","298212","2025-03-04","19:50:40",""
"7249808","8.9581","0.0003","11.035","0.0003","20.9833","0.0005","85.086","0.002","80.136","0.002","85.18","0.002","2030.99","0.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl4 N6 Ni O9 -","- C42 H26 Cl4 N6 Ni O9 -","- C84 H52 Cl8 N12 Ni2 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0557","0.0432","","","0.1013","0.1071","","","","","","1.017","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249809","9.018","0.0002","9.0232","0.0001","22.2494","0.0003","91.685","0.001","95.684","0.001","90.432","0.002","1800.68","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 Fe N6 O10 -","- C36 H34 Cl2 Fe N6 O10 -","- C72 H68 Cl4 Fe2 N12 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0731","0.046","","","0.0945","0.1025","","","","","","1.019","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249810","9.03554","0.00012","9.0471","0.00013","22.3304","0.0003","92.077","0.0012","95.9851","0.0011","90.5673","0.0011","1814.09","0.04","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 Co N6 O10 -","- C36 H34 Cl2 Co N6 O10 -","- C72 H68 Cl4 Co2 N12 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0598","0.0421","","","0.0872","0.0929","","","","","","1.031","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249819","11.2667","0.0005","9.0284","0.0004","9.272","0.0004","90","","107.83","0.002","90","","897.85","0.07","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O4 Zn -","- C9 H8 O4 Zn -","- C36 H32 O16 Zn4 -","4","1","","Alghamdi, Ahmed Mohammed A.; Cholikadam, Shakeeba; Fettouhi, Mohammed; Kalanthoden, Abdul Nasar; Jalilov, Almaz S.; Peedikakkal, Abdul Malik P.","Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2025","27","7","913","920","10.1039/D4CE00985A","","","0.71073","MoKα","","0.0561","0.0443","","","0.1235","0.1313","","","","","","0.935","","","","has coordinates","298211","2025-03-04","19:50:26",""
"7249820","8.7725","0.0006","23.311","0.002","8.6198","0.0006","90","","90","","90","","1762.7","0.2","299","2","299","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C9 H8 O4 Pb -","- C9 H8 O4 Pb -","- C72 H64 O32 Pb8 -","8","1","","Alghamdi, Ahmed Mohammed A.; Cholikadam, Shakeeba; Fettouhi, Mohammed; Kalanthoden, Abdul Nasar; Jalilov, Almaz S.; Peedikakkal, Abdul Malik P.","Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2025","27","7","913","920","10.1039/D4CE00985A","","","0.71073","MoKα","","0.0452","0.031","","","0.0715","0.0768","","","","","","0.942","","","","has coordinates","298211","2025-03-04","19:50:26",""
"7249826","9.4465","0.0003","10.7769","0.0003","15.2702","0.0004","106.856","0.002","93.852","0.002","96.451","0.002","1470.2","0.08","169.99","0.1","170.15","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H72 Co4 Mo8 N16 Na2 O55 -","- C8 H72 Co4 Mo8 N16 Na2 O55 -","- C8 H72 Co4 Mo8 N16 Na2 O55 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0368","0.034","","","0.0918","0.0934","","","","","","1.043","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249827","7.916","0.0002","12.5833","0.0003","15.4115","0.0003","108.216","0.002","94.54","0.002","103.045","0.002","1401.85","0.06","169.99","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H66 Co4 Mo8 N16 O51 -","- C8 H48 Co4 Mo8 N16 O51 -","- C8 H48 Co4 Mo8 N16 O51 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0568","0.051","","","0.1372","0.1429","","","","","","1.078","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249828","8.4824","0.0002","13.3673","0.0002","14.0305","0.0002","84.26","0.001","73.105","0.002","71.519","0.002","1443.65","0.05","169.98","0.1","169.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H62 Co4 Mo8 N16 O50 -","- C12 H62 Co4 Mo8 N16 O50 -","- C12 H62 Co4 Mo8 N16 O50 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0328","0.0316","","","0.0902","0.0909","","","","","","1.075","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249829","27.0622","0.0003","7.3624","0.0001","33.9652","0.0004","90","","92.844","0.001","90","","6758.98","0.14","169.98","0.1","170.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C8 H34 Co2 Mo4 N8 O27 -","- C8 H28 Co2 Mo4 N8 O27 -","- C64 H224 Co16 Mo32 N64 O216 -","8","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0582","0.0468","","","0.122","0.1295","","","","","","1.038","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249830","9.9976","0.0001","20.6814","0.0003","13.4605","0.0002","90","","95.055","0.001","90","","2772.33","0.06","100.01","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H64 Co4 Mo8 N16 O50 -","- C8 H64 Co4 Mo8 N16 O50 -","- C16 H128 Co8 Mo16 N32 O100 -","2","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0575","0.0539","","","0.151","0.1542","","","","","","1.056","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249831","11.5178","0.0003","12.416","0.0003","12.619","0.0002","89.529","0.002","65.036","0.002","70.299","0.002","1521.1","0.07","169.98","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H76 Co4 Mo8 N16 O56 -","- C8 H52 Co4 Mo8 N16 O56 -","- C8 H52 Co4 Mo8 N16 O56 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0382","0.036","","","0.0951","0.0967","","","","","","1.031","","","","has coordinates,has disorder","298180","2025-03-04","19:40:55",""
"7249832","11.7837","0.0003","12.5652","0.0002","20.6823","0.0004","91.864","0.001","101.574","0.002","99.735","0.002","2949.84","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H124 Co8 Mo16 N32 O98 -","- C16 H100 Co8 Mo16 N32 O97.9998 -","- C16 H100 Co8 Mo16 N32 O97.9998 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0598","0.0541","","","0.1481","0.1527","","","","","","1.03","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249833","12.1225","0.0002","13.4878","0.0002","14.4274","0.0002","92.943","0.001","97.909","0.001","91.012","0.001","2332.71","0.06","169.99","0.1","169.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C6 H24 Co Mo2 N6 Na3 O45 V7 -","- C6 H24 Co Mo2 N6 Na3 O45 V7 -","- C12 H48 Co2 Mo4 N12 Na6 O90 V14 -","2","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0792","0.0751","","","0.217","0.2225","","","","","","1.058","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249834","13.2251","0.0003","15.9667","0.0003","16.2567","0.0005","86.364","0.002","81.442","0.002","88.936","0.002","3387.58","0.15","170","0.11","170","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C6 H42 Co3 Mo8 N12 Na2 O61.52 V5 -","- C6 H42 Co3 Mo8 N12 Na2 O61.52 V5 -","- C12 H84 Co6 Mo16 N24 Na4 O123.04 V10 -","2","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.1045","0.0951","","","0.2536","0.2638","","","","","","1.048","","","","has coordinates,has disorder","298180","2025-03-04","19:40:56",""
"7249835","8.115","0.0008","9.1085","0.0009","14.5497","0.0014","74.156","0.003","88.19","0.003","72.032","0.003","982.5","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H5 N O2 -","- C5 H5 N O2 -","- C40 H40 N8 O16 -","8","4","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.0837","0.0647","","","0.1826","0.1951","","","","","","1.042","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249836","7.1215","0.0006","13.7391","0.0012","21.469","0.0019","76.347","0.003","85.043","0.003","87.487","0.003","2033","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N6 O12 -","- C40 H42 N6 O12 -","- C80 H84 N12 O24 -","2","1","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.0964","0.0847","","","0.2458","0.2587","","","","","","1.054","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249837","16.904","0.005","6.4769","0.0017","17.825","0.005","90","","101.367","0.008","90","","1913.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.1333","0.0835","","","0.2188","0.2499","","","","","","1.07","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249838","12.1844","0.0003","15.7973","0.0005","18.7868","0.0008","67.618","0.003","81.84","0.003","83.948","0.002","3304.6","0.2","150","2","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H31 N Ni O P2 S2 -","- C36 H31 N Ni O P2 S2 -","- C144 H124 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0479","0.0385","","","0.096","0.1017","","","","","","1.032","","","","has coordinates","298228","2025-03-04","19:56:19",""
"7249839","14.8719","0.0004","15.3304","0.0004","16.0822","0.0006","77.953","0.002","82.524","0.003","75.348","0.002","3457.65","0.19","150","2","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C36.3 H31.6 Cl0.6 N Ni O P2 S2 -","- C36.3 H31.6 Cl0.6 N Ni O P2 S2 -","- C145.2 H126.4 Cl2.4 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0621","0.0505","","","0.1331","0.1425","","","","","","1.059","","","","has coordinates,has disorder","298228","2025-03-04","19:56:20",""
"7249840","15.187","0.0004","15.6264","0.0006","15.9554","0.0005","76.974","0.003","89.738","0.002","81.37","0.003","3645.6","0.2","150","2","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C37 H32 Cl3 N Ni O P2 S2 -","- C37 H32 Cl3 N Ni O P2 S2 -","- C148 H128 Cl12 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0677","0.0547","","","0.1387","0.1474","","","","","","1.053","","","","has coordinates,has disorder","298228","2025-03-04","19:56:21",""
"7249841","23.119","0.002","15.1711","0.0012","16.9715","0.0015","90","","90","","90","","5952.6","0.9","296.15","","296.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H16 Cu2 I3 N4 S4 -","- C24 H16 Cu2 I3 N4 S4 -","- C192 H128 Cu16 I24 N32 S32 -","8","1","","Li, Huifang; Gao, Yiqun; Lin, Xi; Li, Ke; Lin, Xiaoli; Li, Haohong; Zheng, Huidong","Ternary resistive switching memory of copper–organic complex/iodocuprate/sulfur hybrid enabled by π–π interactions and S8 relaxation","CrystEngComm","2025","27","10","1439","1445","10.1039/D4CE01147C","","","0.71073","MoKα","","0.0681","0.0443","","","0.1565","0.198","","","","","","0.677","","","","has coordinates","298229","2025-03-04","19:56:34",""
"7249842","12.0459","0.0009","16.7225","0.0013","20.5508","0.0015","111.534","0.002","91.936","0.002","102.731","0.002","3726","0.5","192.8","","192.8","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu F30 Gd N8 O16 -","- C59 H47 Cu F30 Gd N8 O16 -","- C118 H94 Cu2 F60 Gd2 N16 O32 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","0.71073","MoKα","","0.0949","0.0653","","","0.1549","0.1779","","","","","","1.04","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249843","12.0447","0.0007","16.704","0.001","20.5482","0.0013","111.44","0.003","92.035","0.004","102.735","0.004","3722.6","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu Dy F30 N8 O16 -","- C59 H47 Cu Dy F30 N8 O16 -","- C118 H94 Cu2 Dy2 F60 N16 O32 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","1.54184","CuKα","","0.117","0.1011","","","0.2526","0.2738","","","","","","1.071","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249844","11.996","0.0006","16.6031","0.0007","20.3772","0.001","110.962","0.004","92.013","0.004","102.791","0.004","3666.6","0.3","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu F30 N8 O16 Tb -","- C59 H47 Cu F30 N8 O16 Tb -","- C118 H94 Cu2 F60 N16 O32 Tb2 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","0.71073","MoKα","","0.1262","0.1082","","","0.2632","0.2758","","","","","","1.105","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249850","4.8019","0.0006","8.3731","0.0009","9.5127","0.0015","76.71","0.02","80.38","0.02","86.6","0.02","366.91","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H18 N3 O10 P -","- C9 H18 N3 O10 P -","- C9 H18 N3 O10 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0275","0.0272","","","0.0743","0.0747","","","","","","1.062","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249851","4.7963","0.0008","8.247","0.003","9.04","0.003","70.65","0.02","86.7","0.03","84.89","0.02","335.89","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.1183","0.098","","","0.2717","0.2852","","","","","","1.166","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249852","8.338","0.002","31.318","0.007","4.8912","0.001","90","","90","","90","","1277.2","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C36 H56 N12 O32 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.1215","0.1197","","","0.3168","0.3178","","","","","","1.102","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249853","8.4629","0.0016","35.212","0.007","4.8658","0.0008","90","","90","","90","","1450","0.5","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H17 N3 O9.5 P -","- C9 H17 N3 O9.5 P -","- C36 H68 N12 O38 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0434","0.0422","","","0.1024","0.1029","","","","","","1.094","","","","has coordinates,has disorder","298181","2025-03-04","19:41:11",""
"7249854","4.7896","0.0008","8.1312","0.0014","8.4477","0.0012","76.85","0.02","79.75","0.02","83.99","0.02","314.55","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0493","0.0485","","","0.1358","0.1371","","","","","","1.1","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249855","4.843","0.004","8.646","0.008","15.726","0.002","90","","93.68","0.01","90","","657.1","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C18 H28 N6 O16 P2 -","2","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","0.0251","transmissionelectronmicroscope","","0.1547","0.1322","","","0.3358","0.3497","","","","","","1.146","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249856","8.367","0.002","34.158","0.007","4.8236","0.0009","90","","90","","90","","1378.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","- C36 H64 N12 O36 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.076","0.0748","","","0.2101","0.2112","","","","","","1.118","","","","has coordinates,has disorder","298181","2025-03-04","19:41:11",""
"7249857","4.7974","0.0008","8.2932","0.001","16.861","0.003","101.48","0.02","92.04","0.02","95.55","0.02","653.29","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H15 N3 O8.5 P -","- C9 H15 N3 O8.5 P -","- C18 H30 N6 O17 P2 -","2","2","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0807","0.0743","","","0.2016","0.2059","","","","","","1.063","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249858","8.422","0.0014","35.163","0.006","9.693","0.002","90","","90","","90","","2870.5","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N3 O9.5 P -","- C9 H17 N3 O9.5 P -","- C72 H136 N24 O76 P8 -","8","2","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0501","0.0464","","","0.1433","0.1457","","","","","","1.15","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249862","12.003","0.002","11.347","0.002","10.802","0.002","90","","101.75","0.03","90","","1440.4","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.08","0.0522","","","0.1343","0.1503","","","","","","1.047","","","","has coordinates","298172","2025-03-04","19:37:59",""
"7249863","12.004","0.002","11.352","0.002","10.797","0.002","90","","101.7","0.03","90","","1440.7","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0592","0.0462","","","0.1213","0.1303","","","","","","1.048","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249864","12.008","0.002","11.352","0.002","10.791","0.002","90","","101.7","0.03","90","","1440.4","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.054","0.0441","","","0.1151","0.1215","","","","","","1.066","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249865","12.012","0.002","11.349","0.002","10.792","0.002","90","","101.68","0.03","90","","1440.7","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0624","0.0509","","","0.1298","0.137","","","","","","1.071","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249866","12.075","0.002","11.371","0.002","10.787","0.002","90","","101.73","0.03","90","","1450.2","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0831","0.0656","","","0.1714","0.1841","","","","","","1.058","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249867","12.005","0.002","11.349","0.002","10.792","0.002","90","","101.71","0.03","90","","1439.8","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0518","0.0447","","","0.1185","0.1243","","","","","","1.048","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249868","12.006","0.002","11.351","0.002","10.793","0.002","90","","101.67","0.03","90","","1440.5","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.075","0.0518","","","0.1375","0.1496","","","","","","1.083","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249869","28.644","0.006","7.1941","0.0014","23.764","0.005","90","","113.655","0.004","90","","4485.5","1.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cu O5 en lv so t -","- C27 H18 Cu O5 -","- C216 H144 Cu8 O40 -","8","1","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.071","0.0619","","","0.1446","0.1529","","","","","","1.101","","","","has coordinates","298183","2025-03-04","19:41:59",""
"7249870","23.673","0.004","18.677","0.004","17.763","0.004","90","","90","","90","","7854","3","173","2","173","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C27 H18 O5 Zn en lv so t -","- C27 H18 O5 Zn -","- C216 H144 O40 Zn8 -","8","0.5","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.1622","0.0932","","","0.261","0.301","","","","","","1.021","","","","has coordinates","298183","2025-03-04","19:42:01",""
"7249871","25.5168","0.0006","25.5168","0.0006","20.8378","0.0007","90","","90","","120","","11749.9","0.6","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C180 H142 N6 O32 Zn7 -","- C180 H138 N6 O32 Zn7.0002 -","- C540 H414 N18 O96 Zn21.0006 -","3","0.166667","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.0767","0.0544","","","0.1401","0.1588","","","","","","1.019","","","","has coordinates","298183","2025-03-04","19:42:10",""
"7249872","23.4998","0.0008","18.6597","0.0006","17.5655","0.0006","90","","90","","90","","7702.5","0.4","120","2","120","2","","","","","","","","9","C m c e","-C 2ac 2","64","","","","- C30 H23 Cu N O5 en lv so t -","- C30 H23 Cu N O5 -","- C240 H184 Cu8 N8 O40 -","8","0.5","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.0631","0.0464","","","0.1285","0.14","","","","","","1.046","","","","has coordinates,has disorder","298183","2025-03-04","19:42:10",""
"7249873","33.209","0.002","33.209","0.002","8.3584","0.0009","90","","90","","120","","7983","1.1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H15 Cd N O6 -","- C19 H15 Cd N O6 -","- C342 H270 Cd18 N18 O108 -","18","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1223","0.0631","","","0.1022","0.126","","","","","","1.002","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249874","12.5813","0.0012","9.8659","0.0012","14.7378","0.0013","90","","90","","90","","1829.3","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0895","0.0532","","","0.1205","0.1413","","","","","","0.999","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249875","16.1979","0.0007","22.8193","0.0008","11.8386","0.0005","90","","100.545","0.004","90","","4301.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","2","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1018","0.0593","","","0.1449","0.177","","","","","","1.016","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249876","12.1419","0.0011","8.5142","0.0007","16.4832","0.001","90","","96.129","0.007","90","","1694.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cd N2 O10 -","- C36 H32 Cd N2 O10 -","- C72 H64 Cd2 N4 O20 -","2","0.5","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0586","0.0422","","","0.0993","0.109","","","","","","1.079","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249877","17.4412","0.0005","14.5878","0.0004","17.9857","0.0005","90","","107.952","0.003","90","","4353.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cd N2 O10 -","- C50 H44 Cd N2 O10 -","- C200 H176 Cd4 N8 O40 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0658","0.0446","","","0.0881","0.0956","","","","","","1.021","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249878","16.4124","0.0011","17.2304","0.0015","28.2016","0.0019","90","","92.706","0.006","90","","7966.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H79 Cd2 N5 O17 -","- C83 H79 Cd2 N5 O17 -","- C332 H316 Cd8 N20 O68 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1124","0.0713","","","0.1607","0.1865","","","","","","1.025","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249879","16.6697","0.0003","14.6638","0.0003","19.3585","0.0004","90","","97.241","0.002","90","","4694.27","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Br2 Co2 N4 O11 -","- C44 H38 Br2 Co2 N4 O11 -","- C176 H152 Br8 Co8 N16 O44 -","4","0.5","","Chen, Xiang-Yu; Hu, Zi-Ang; Qu, Yan; Ning, Ru-Jin; Tao, Wen-Da; He, Shou-Qin; Liu, Zhi-Fu; Shen, Yong-Hui; Qin, Ling","The optimization of hydrogen evolution performance by removing guest molecules in Co-MOF","CrystEngComm","2025","27","11","1591","1598","10.1039/D5CE00014A","","","1.54178","CuKα","","0.0806","0.0619","","","0.1653","0.182","","","","","","0.847","","","","has coordinates","298859","2025-04-05","02:40:33",""
"7249882","26.8681","0.0004","9.3502","0.0002","33.4362","0.0005","90","","96.671","0.001","90","","8343","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Br2 O4 -","- C21 H20 Br2 O4 -","- C336 H320 Br32 O64 -","16","2","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","x-ray","1.54178","CuKα","","0.0618","0.055","","","0.1427","0.1539","","","","","","1.058","","","","has coordinates,has disorder","298864","2025-04-05","02:42:04",""
"7249883","11.4955","0.0003","12.1086","0.0003","12.9827","0.0003","110.33","0.002","91.122","0.002","104.67","0.002","1627.74","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cd N4 O7 -","- C33 H30 Cd N4 O7 -","- C66 H60 Cd2 N8 O14 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","x-ray","1.54178","CuKα","","0.0514","0.049","","","0.1352","0.1385","","","","","","1.013","","","","has coordinates","298864","2025-04-05","02:42:04",""
"7249884","12.071","0.006","10.485","0.005","12.181","0.006","90","","118.789","0.009","90","","1351.1","1.2","297.15","","297.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C33 H26 N4 O4 -","- C33 H26 N4 O4 -","- C66 H52 N8 O8 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","","0.71073","MoKα","","0.1149","0.0622","","","0.1269","0.1511","","","","","","1.012","","","","has coordinates","298864","2025-04-05","02:42:04",""
"7249885","11.2015","0.0015","11.4714","0.0016","12.5314","0.0017","72.283","0.002","76.741","0.002","65.449","0.002","1385.3","0.3","297","2","297.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N4 O5 Pb -","- C33 H26 N4 O5 Pb -","- C66 H52 N8 O10 Pb2 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","","0.71073","MoKα","","0.0606","0.0387","","","0.0757","0.0829","","","","","","1.025","","","","has coordinates,has disorder","298864","2025-04-05","02:42:04",""
"7249891","10.2178","0.0002","10.2178","0.0002","13.0003","0.0004","90","","90","","120","","1175.44","0.05","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C51 H60 N6 S3 -","3","1","","Dwivedi, Astha M.; Gonnade, Rajesh G.; Sahoo, Suban K.; Bedekar, Ashutosh V.","Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition","CrystEngComm","2025","27","9","1240","1247","10.1039/D4CE01226G","","","1.54178","CuKα","","0.0318","0.0277","","","0.0607","0.0631","","","","","","1.078","","","","has coordinates","298216","2025-03-04","19:51:25",""
"7249892","12.9267","0.0011","12.7298","0.0011","9.3576","0.0008","90","","90.901","0.002","90","","1539.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C68 H80 N8 S4 -","4","1","","Dwivedi, Astha M.; Gonnade, Rajesh G.; Sahoo, Suban K.; Bedekar, Ashutosh V.","Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition","CrystEngComm","2025","27","9","1240","1247","10.1039/D4CE01226G","","","1.54178","CuKα","","0.0336","0.0328","","","0.0828","0.0836","","","","","","1.071","","","","has coordinates","298216","2025-03-04","19:51:26",""
"7249893","18.5963","0.0005","18.5963","0.0005","5.7039","0.0002","90","","90","","120","","1708.27","0.09","278","2","278","2","","","","","","","","3","P 65","P 65","170","","","","- C14 H11 N -","- C14 H11 N -","- C84 H66 N6 -","6","1","","Cabrera, Alexa; Safari, Fatemah; Kumar, Ravhi; Zhu, Haoran; Ahart, Muhtar; Liu, Zhenxian; Driver, Tom G.; Hemley, Russell J.","Synthesis, structure, and stability of a novel 2H-azirine under pressure","CrystEngComm","2025","27","9","1248","1255","10.1039/D4CE00937A","","","1.54184","CuKα","","0.0777","0.0582","","","0.197","0.2165","","","","","","1.142","","","","has coordinates","298215","2025-03-04","19:51:15",""
"7249894","9.0094","0.0004","7.6502","0.0004","5.0908","0.0002","90","","97.673","0.004","90","","347.74","0.03","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","1,4-dichlorotetrafluorobenzene","","- C6 Cl2 F4 -","- C6 Cl2 F4 -","- C12 Cl4 F8 -","2","0.25","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0221","0.022","","","0.0596","0.0596","","","","","","1.168","","","","has coordinates","298230","2025-03-04","19:56:49",""
"7249895","9.0176","0.0003","7.6579","0.0003","9.4977","0.0004","90","","96.562","0.003","90","","651.58","0.04","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Chloropentafluorobenzene","","- C6 Cl F5 -","- C6 Cl F5 -","- C24 Cl4 F20 -","4","0.5","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0357","0.0343","","","0.0934","0.0944","","","","","","1.083","","","","has coordinates","298230","2025-03-04","19:56:51",""
"7249896","9.1116","0.0006","7.7713","0.0006","4.8027","0.0004","90","","95.977","0.007","90","","338.23","0.04","200","","200","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Chloropentafluorobenzene","","- C6 Cl F5 -","- C6 Cl F5 -","- C12 Cl2 F10 -","2","0.25","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0725","0.0694","","","0.1861","0.1889","","","","","","1.084","","","","has coordinates","298230","2025-03-04","19:56:51",""
"7249917","14.361","0.002","13.865","0.002","16.142","0.003","90","","94.825","0.005","90","","3202.7","0.9","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 Cl5 Cu N3 O5 -","- C25 H48 Cl5 Cu N3 O5 -","- C100 H192 Cl20 Cu4 N12 O20 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0454","0.0372","","","0.0959","0.1028","","","","","","1.032","","","","has coordinates","298872","2025-04-05","02:44:04",""
"7249918","11.0149","0.0007","19.8174","0.0013","15.8532","0.001","90","","106.045","0.002","90","","3325.7","0.4","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cd Cl5 N3 O4 -","- C24 H43.33 Cd Cl5 N3 O4.077 -","- C96 H173.32 Cd4 Cl20 N12 O16.308 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0649","0.0489","","","0.1268","0.1387","","","","","","1.04","","","","has coordinates,has disorder","298872","2025-04-05","02:44:05",""
"7249919","10.9164","0.0004","19.7454","0.0008","15.8657","0.0006","90","","106.713","0.001","90","","3275.4","0.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cl5 N3 O4 Zn -","- C24 H43.45 Cl5 N3 O4.059 Zn -","- C96 H173.8 Cl20 N12 O16.236 Zn4 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0852","0.0548","","","0.1385","0.158","","","","","","1.022","","","","has coordinates,has disorder","298872","2025-04-05","02:44:05",""
"7249920","15.4735","0.0004","13.207","0.0004","14.6062","0.0003","90","","90","","90","","2984.9","0.13","119.99","0.1","120","","","","","","","","","7","P n a 21","P 2c -2n","33","ZRFSIX-21-Cu-Alpha","","","- C22 H35 Cu F6 N7 O5 Zr -","- C22 H35 Cu F6 N7 O5 Zr -","- C88 H140 Cu4 F24 N28 O20 Zr4 -","4","1","","Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E.","Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases","CrystEngComm","2025","27","12","1736","1741","10.1039/D4CE01250J","","","1.54184","CuKα","","0.0564","0.0507","","","0.1318","0.1371","","","","","","1.004","","","","has coordinates","298870","2025-04-05","02:43:31",""
"7249921","14.6449","0.0017","16.654","0.003","14.6352","0.0015","90","","90","","90","","3569.5","0.8","120","0.11","120","","","","","","","","","6","P n n a","-P 2a 2bc","52","ZRFSIX-21-Cu-Beta","","","- C20 H22 Cu F6 N6 Zr -","- C20 H22 Cu F5.998 N6 Zr -","- C80 H88 Cu4 F23.992 N24 Zr4 -","4","0.5","","Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E.","Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases","CrystEngComm","2025","27","12","1736","1741","10.1039/D4CE01250J","","","1.54184","CuKα","","0.1729","0.1131","","","0.2864","0.3335","","","","","","1.094","","","","has coordinates,has disorder","298870","2025-04-05","02:43:31",""
"7249924","14.8563","0.0009","15.281","0.0008","16.5287","0.0012","76.367","0.002","85.738","0.002","66.875","0.002","3352.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H55 N6 O8 Yb2 -","- C78 H55 N6 O8 Yb2 -","- C156 H110 N12 O16 Yb4 -","2","1","","Sun, Yining; Liu, Guoguo; Xiong, Gang; Xu, Guangwen","Two novel tetranuclear Yb(iii)-based compounds for highly efficient conversion of CO2 to cyclic carbonates","CrystEngComm","2025","27","14","2148","2153","10.1039/D4CE00662C","","","0.71073","MoKα","","0.0735","0.0529","","","0.1306","0.146","","","","","","1.06","","","","has coordinates,has disorder","298850","2025-04-05","02:37:08",""
"7249925","21.4927","0.0003","15.5992","0.0002","25.5168","0.0004","90","","95.309","0.001","90","","8518.3","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C176 H144 Cl4 N18 O22 Yb4 -","- C176 H144 Cl4 N18 O22 Yb4 -","- C352 H288 Cl8 N36 O44 Yb8 -","2","0.5","","Sun, Yining; Liu, Guoguo; Xiong, Gang; Xu, Guangwen","Two novel tetranuclear Yb(iii)-based compounds for highly efficient conversion of CO2 to cyclic carbonates","CrystEngComm","2025","27","14","2148","2153","10.1039/D4CE00662C","","","1.54178","CuKα","","0.0784","0.0718","","","0.2059","0.2127","","","","","","1.065","","","","has coordinates","298850","2025-04-05","02:37:09",""
"7249926","25.1779","0.0012","17.1245","0.0009","24.3955","0.0012","90","","100.441","0.001","90","","10344.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122.5 H140 N4 Na4 O8 -","- C122.5 H140 N4 Na4 O8 -","- C490 H560 N16 Na16 O32 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0673","0.0523","","","0.1337","0.1444","","","","","","1.022","","","","has coordinates,has disorder","298871","2025-04-05","02:43:53",""
"7249927","14.8981","0.0006","8.6526","0.0003","16.0807","0.0008","90","","110.599","0.005","90","","1940.39","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0907","0.0673","","","0.1805","0.1959","","","","","","1.06","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249928","26.9692","0.0016","26.9692","0.0016","17.5013","0.0011","90","","90","","120","","11023.9","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H192 Ca3 N6 O6 -","- C186 H192 Ca3 N6 O6 -","- C558 H576 Ca9 N18 O18 -","3","0.166667","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.139","0.0895","","","0.215","0.2493","","","","","","1.046","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249929","24.2597","0.0008","44.3767","0.0015","8.5031","0.0003","90","","90","","90","","9154.1","0.5","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C22 H15 N O -","- C22 H15 N O -","- C528 H360 N24 O24 -","24","3","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0727","0.0489","","","0.1107","0.122","","","","","","1.023","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249930","14.4234","0.0007","10.4958","0.0004","14.8391","0.0007","90","","110.63","0.005","90","","2102.37","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl N O -","- C24 H26 Cl N O -","- C96 H104 Cl4 N4 O4 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.073","0.0501","","","0.113","0.1259","","","","","","1.019","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249931","15.9889","0.001","14.0339","0.0009","19.241","0.001","90","","90","","90","","4317.4","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H26 B F4 N O -","- C24 H26 B F4 N O -","- C192 H208 B8 F32 N8 O8 -","8","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.1047","0.071","","","0.1825","0.2049","","","","","","1.092","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249932","10.632","0.0006","13.0113","0.0007","13.1794","0.0007","80.2304","0.0017","76.6792","0.0018","69.7594","0.0017","1656.48","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H102 Al2 Li2 N2 O8 -","- C72 H102 Al2 Li2 N2 O8 -","- C72 H102 Al2 Li2 N2 O8 -","1","0.5","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0513","0.0414","","","0.1015","0.1078","","","","","","1.026","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249938","6.664","0.0009","17.112","0.002","18.366","0.003","90","","97.266","0.011","90","","2077.5","0.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cd2 Cl6 N2 -","- C10 H20 Cd2 Cl6 N2 -","- C40 H80 Cd8 Cl24 N8 -","4","1","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","0.71073","MoKα","","0.0894","0.0552","","","0.0874","0.0999","","","","","","1.011","","","","has coordinates","298865","2025-04-05","02:42:19",""
"7249939","17.6713","0.0011","6.7314","0.0003","18.1716","0.001","90","","90","","90","","2161.6","0.2","403.02","0.1","403.02","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H40 Cd4 Cl12 N4 -","- C20 H40 Cd4 Cl12 N4 -","- C40 H80 Cd8 Cl24 N8 -","2","0.25","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.1221","0.0836","","","0.2809","0.3203","","","","","","1.066","","","","has coordinates,has disorder","298865","2025-04-05","02:42:19",""
"7249940","6.3709","0.0003","16.9377","0.0009","18.33","0.001","90","","97.538","0.005","90","","1960.87","0.18","300","0.1","300","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1","","- C10 H20 Cl6 Mn2 N2 -","- C10 H20 Cl6 Mn2 N2 -","- C40 H80 Cl24 Mn8 N8 -","4","1","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.1","0.0573","","","0.1412","0.1744","","","","","","1.095","","","","has coordinates","298865","2025-04-05","02:42:19",""
"7249941","14.6427","0.0016","6.494","0.0008","10.999","0.002","90","","90","","90","","1045.9","0.3","428","0.1","428","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H10 Cl3 Mn N -","- C5 H10 Cl3 Mn N -","- C20 H40 Cl12 Mn4 N4 -","4","0.5","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.3271","0.2541","","","0.3984","0.4352","","","","","","1.028","","","","has coordinates,has disorder","298865","2025-04-05","02:42:19",""
"7249942","11.5763","0.0001","18.4127","0.0002","24.1317","0.0003","90","","103.228","0.001","90","","5007.22","0.1","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 Cl4 N12 -","- C54 H50 Cl4 N12 -","- C216 H200 Cl16 N48 -","4","0.5","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0359","0.0343","","","0.0903","0.0914","","","","","","1.061","","","","has coordinates","298858","2025-04-05","02:40:26",""
"7249943","11.4546","0.0005","18.6173","0.0007","24.6098","0.0012","90","","100.265","0.004","90","","5164.1","0.4","150.01","0.1","150.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 N12 -","- C52 H46 N12 -","- C208 H184 N48 -","4","0.5","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0738","0.0549","","","0.1469","0.1584","","","","","","1.037","","","","has coordinates","298858","2025-04-05","02:40:27",""
"7249944","10.8323","0.0007","10.8523","0.001","13.367","0.001","68.942","0.008","77.748","0.006","63.78","0.008","1312.8","0.2","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C52 H46 N12 -","- C52 H46 N12 -","- C52 H46 N12 -","1","1","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0459","0.0441","","","0.1185","0.1208","","","","","","1.063","","","","has coordinates,has disorder","298858","2025-04-05","02:40:27",""
"7249945","10.6444","0.0003","49.445","0.0013","11.034","0.0004","90","","115.695","0.004","90","","5233.1","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H48 Cl6 N12 -","- C54 H48 Cl6 N12 -","- C216 H192 Cl24 N48 -","4","2","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0873","0.0715","","","0.1716","0.185","","","","","","1.053","","","","has coordinates","298858","2025-04-05","02:40:27",""
"7249946","21.5884","0.0009","21.5884","0.0009","17.7901","0.0011","90","","90","","90","","8291.2","0.7","293","2","293","2","","","","","","","","9","P -4 21 m","P -4 2ab","113","","","","- Cl Cs7.5 H12 N Na0.5 Ni4 O78 P2 W17 -","- Cl Cs7.5 H4 N Na0.5 Ni4 O74 P2 W17 -","- Cl4 Cs30 H16 N4 Na2 Ni16 O296 P8 W68 -","4","0.5","","Wang, Zhen-Wen; Wang, Yue-Lin; Yang, Guo-Yu","A novel sandwich Ni-added polyoxometalate with nonlinear optical properties and photothermal conversion performance","CrystEngComm","2025","27","11","1650","1656","10.1039/D5CE00036J","","x-ray","0.71073","MoKα","","0.0965","0.0533","","","0.0935","0.1102","","","","","","1.031","","","","has coordinates","298860","2025-04-05","02:41:06",""
"7249947","11.464","0.00016","10.37828","0.00014","10.88732","0.00018","90","","108.933","0.001","90","","1225.26","0.03","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pranoprofen","Pranoprofen","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Prohens, Rafel; Barbas, Rafael; Abrego, Guadalupe; Frontera, Antonio","Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses","CrystEngComm","2025","27","12","1742","1748","10.1039/D4CE01279H","powder diffraction","","0.6194","synchrotron","","","","","","","","","23.7501","1204.5","","","","","","","has coordinates","298868","2025-04-05","02:42:57",""
"7249951","37.466","0.003","14.8831","0.0009","18.3908","0.0016","90","","90","","90","","10254.9","1.4","298","","298","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","","- B2 Cs1.5 H47 K4 N0.5 Na3 Ni7 O101 Si2 W20 -","- B2 Cs1.5 H6 K4 N0.5 Na3 Ni7 O101 Si2 W20 -","- B8 Cs6 H24 K16 N2 Na12 Ni28 O404 Si8 W80 -","4","0.5","","Zhang, Zheng-Ge; Wang, Zhen-Wen; Wang, Yu; Chen, Juan; Wang, Yue-Lin; Yang, Guo-Yu","A Ni-added polyoxometalate: synthesis, structure and catalytic performance","CrystEngComm","2025","27","13","1879","1886","10.1039/D5CE00060B","","x-ray","0.71073","MoKα","","0.1215","0.0728","","","0.1292","0.1423","","","","","","1.094","","","","has coordinates","298837","2025-04-05","02:34:22",""
"7249955","12.2261","0.0005","14.0822","0.0006","15.115","0.0005","67.388","0.004","72.278","0.003","74.731","0.003","2256.41","0.17","95","","95","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C47 H53 Cl N8 O7 S -","- C47 H53 Cl N8 O7 S -","- C94 H106 Cl2 N16 O14 S2 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0535","0.0398","","0.0978","0.0895","0.0978","","","","","","0.9919","","","","has coordinates","298867","2025-04-05","02:42:49",""
"7249956","12.6958","0.0005","43.0206","0.0012","10.8969","0.0005","90","","110.267","0.005","90","","5583.2","0.4","95","","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Venetoclax","","- C55 H63 Cl N10 O11 S -","- C55 H63 Cl N10 O11 S -","- C220 H252 Cl4 N40 O44 S4 -","4","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0749","0.0526","","0.1381","0.1237","0.1381","","","","","","0.9807","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249957","11.1533","0.0004","12.6185","0.0005","19.2633","0.0007","71.723","0.003","85.508","0.003","73.59","0.003","2469.28","0.17","120","","120","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C49 H55 Cl N8 O11 S -","- C49 H55 Cl N8 O11 S -","- C98 H110 Cl2 N16 O22 S2 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","0.71073","MoKα","","0.084","0.0529","","0.1648","0.1449","0.1648","","","","","","0.9906","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249958","10.8016","0.0001","10.8223","0.0001","14.0795","0.0001","84.7041","0.0009","83.824","0.0009","76.704","0.001","1588.57","0.02","95","","95","","","","","","","","","6","P 1","P 1","1","","Venetoclax","","- C66 H66 Cl N7.5 O13 S3 -","- C66 H66 Cl N7.5 O13 S3 -","- C66 H66 Cl N7.5 O13 S3 -","1","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0555","0.0552","","0.1501","0.1495","0.1501","","","","","","1.0468","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249959","12.1935","0.0001","15.7385","0.0001","17.4811","0.0002","109.48","0.0009","95.9264","0.0008","109.261","0.0009","2898.7","0.05","95","","95","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C59 H66 Cl N7 O13 S3 -","- C59 H66 Cl N7 O13 S3 -","- C118 H132 Cl2 N14 O26 S6 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0511","0.0472","","0.1379","0.1351","0.1374","","","","","","0.9078","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249960","3.5587","0.0001","17.1844","0.0006","10.0828","0.0004","90","","94.393","0.003","90","","614.79","0.04","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N12 O4 -","- C6 H12 N12 O4 -","- C12 H24 N24 O8 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0477","0.0383","","","0.097","0.1018","","","","","","1.123","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249961","3.4551","0.0003","14.0564","0.0009","9.0385","0.0006","90","","93.842","0.006","90","","437.98","0.06","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O4 -","- C4 H8 N8 O4 -","- C8 H16 N16 O8 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0522","0.0436","","","0.1114","0.1182","","","","","","1.03","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249962","3.981","0.0002","26.2212","0.0013","11.0929","0.0005","90","","98.702","0.003","90","","1144.62","0.1","213.15","","213.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N10 O4 -","- C6 H10 N10 O4 -","- C24 H40 N40 O16 -","4","1","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54184","CuKα","","0.059","0.0409","","","0.1045","0.1155","","","","","","1.027","","","","has coordinates,has disorder","298842","2025-04-05","02:35:28",""
"7249963","10.4988","0.0004","13.0416","0.0005","11.0271","0.0005","90","","103.205","0.002","90","","1469.92","0.1","223.15","","223.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl N10 O8 -","- C6 H11 Cl N10 O8 -","- C24 H44 Cl4 N40 O32 -","4","1","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","0.71073","MoKα","","0.0631","0.0453","","","0.1152","0.1353","","","","","","1.049","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249964","3.6169","0.0018","7.881","0.003","9.865","0.005","109.743","0.019","97.4","0.02","101.86","0.02","253","0.2","233","","233","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N10 O4 -","- C4 H10 N10 O4 -","- C4 H10 N10 O4 -","1","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.1036","0.0486","","","0.1188","0.1469","","","","","","0.944","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249965","3.6899","0.0007","13.747","0.003","9.3323","0.0013","90","","95.909","0.01","90","","470.87","0.15","233","","233","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O6 -","- C4 H8 N8 O6 -","- C8 H16 N16 O12 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","0.71073","MoKα","","0.0799","0.0689","","","0.1864","0.1925","","","","","","1.097","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249966","3.4526","0.0001","14.093","0.0006","9.0501","0.0004","90","","94.007","0.003","90","","439.28","0.03","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C8 H12 N12 O12 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0487","0.044","","","0.1207","0.1254","","","","","","1.102","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249967","19.6125","0.0016","5.5243","0.0004","8.0101","0.0007","90","","90.068","0.003","90","","867.86","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cd Cl2 N2 -","- C12 H30 Cd Cl2 N2 -","- C24 H60 Cd2 Cl4 N4 -","2","0.5","","Parthiban, Pavithra; Makhija, Urmila; Pratham, Rachit; Swain, Diptikanta; Nag, Angshuman","Covalent organic–inorganic layered 2D CdCl2(n-hexylamine)2 and not Cd2S2(n-hexylamine)","CrystEngComm","2025","27","13","2004","2011","10.1039/D5CE00011D","","","0.71073","MoKα","","0.0584","0.0417","","","0.0939","0.1016","","","","","","1.047","","","","has coordinates","298834","2025-04-05","02:33:55",""
"7249968","6.8046","0.0002","8.8154","0.0003","10.4843","0.0004","88.304","0.001","88.304","0.002","69.875","0.003","590.12","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","Darifenacin hydrate","","","- C28 H31.27 N2 O2.64 -","- C28 H31.274 N2 O2.637 -","- C28 H31.274 N2 O2.637 -","1","1","","Nowak, Przemysław; Pietrzak, Anna; Dudek, Marta K.","Understanding the stability of the amorphous form of darifenacin","CrystEngComm","2025","27","13","1927","1938","10.1039/D4CE01257G","","","1.54184","CuKα","","0.0372","0.0357","","","0.091","0.0922","","","","","","1.065","","","","has coordinates","298841","2025-04-05","02:35:18",""
"7249969","12.2363","0.0001","8.7874","0.0001","14.0356","0.0002","90","","113.022","0.001","90","","1388.98","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","darifenacin solvate with toluene","","","- C35 H38 N2 O2 -","- C35 H38 N2 O2 -","- C70 H76 N4 O4 -","2","1","","Nowak, Przemysław; Pietrzak, Anna; Dudek, Marta K.","Understanding the stability of the amorphous form of darifenacin","CrystEngComm","2025","27","13","1927","1938","10.1039/D4CE01257G","","","1.54184","CuKα","","0.0501","0.0446","","","0.095","0.0971","","","","","","1.066","","","","has coordinates,has disorder","298841","2025-04-05","02:35:18",""
"7249970","12.9596","0.0004","13.7413","0.0003","25.0477","0.0007","100.909","0.002","95.649","0.002","114.947","0.003","3890.9","0.2","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C78 H64 Dy F9 N7 O14 P3 S3 -","- C78 H64 Dy F9 N7 O14 P3 S3 -","- C156 H128 Dy2 F18 N14 O28 P6 S6 -","2","1","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0666","0.0412","","","0.0838","0.0917","","","","","","1.003","","","","has coordinates,has disorder","298840","2025-04-05","02:35:09",""
"7249971","12.8264","0.0003","23.1597","0.0007","25.9044","0.0006","108.328","0.002","98.49","0.002","98.959","0.002","7055.2","0.3","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C59 H84 Dy F6 N7 O10 P2 S2 -","- C59 H84 Dy F6 N7 O10 P2 S2 -","- C236 H336 Dy4 F24 N28 O40 P8 S8 -","4","2","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.101","0.0611","","","0.1279","0.1651","","","","","","1.173","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249972","44.0135","0.0004","33.1845","0.0003","18.0566","0.0002","90","","93.1764","0.0007","90","","26332.3","0.4","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C117 H167 Dy2 F9 N14 O17 P4 S3 -","- C117 H167 Dy2 F9 N14 O17 P4 S3 -","- C936 H1336 Dy16 F72 N112 O136 P32 S24 -","8","1","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0559","0.0432","","","0.1042","0.1151","","","","","","1.09","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249973","13.80326","0.00014","17.08518","0.00016","31.85","0.0003","99.0853","0.0008","94.0652","0.0008","91.2834","0.0008","7394.03","0.13","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C77 H72.8 Cl2 Dy N7 O15.9 P3 -","- C77 H69 Cl2 Dy N7 O15.9 P3 -","- C308 H276 Cl8 Dy4 N28 O63.6 P12 -","4","2","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0521","0.0411","","","0.0964","0.103","","","","","","1.007","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249974","13.8538","0.0003","17.5673","0.0004","13.8398","0.0003","90","","96.191","0.002","90","","3348.6","0.13","299.8","0.1","299.8","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H38 Br10 N6 O Pb2 -","- C12 H38 Br10 N6 O Pb2 -","- C48 H152 Br40 N24 O4 Pb8 -","4","1","","Fan, Chang-Chun; Fang, Zi-Han; Jiao, Shu-Lin; Yu, Jing-Xue; Liu, Cheng-Dong; Wang, Wei; Jin, Ming-Liang; Liang, Bei-Dou; Han, Xiang-Bin","Enhanced luminescence in 1D corrugated lead bromides via reduced flexibility of trivalent cations","CrystEngComm","2025","27","13","1997","2003","10.1039/D5CE00003C","","x-ray","0.71073","MoKα","","0.0912","0.0516","","","0.0813","0.0889","","","","","","1.067","","","","has coordinates","298836","2025-04-05","02:34:12",""
"7249975","10.2495","0.0002","8.7968","0.0002","10.3341","0.0002","90","","101.902","0.001","90","","911.72","0.03","282","","282","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H22 Br5 N3 O Pb -","- C7 H22 Br5 N3 O Pb -","- C14 H44 Br10 N6 O2 Pb2 -","2","0.5","","Fan, Chang-Chun; Fang, Zi-Han; Jiao, Shu-Lin; Yu, Jing-Xue; Liu, Cheng-Dong; Wang, Wei; Jin, Ming-Liang; Liang, Bei-Dou; Han, Xiang-Bin","Enhanced luminescence in 1D corrugated lead bromides via reduced flexibility of trivalent cations","CrystEngComm","2025","27","13","1997","2003","10.1039/D5CE00003C","","","1.54178","CuKα","","0.0322","0.0301","","","0.0661","0.067","","","","","","1.099","","","","has coordinates,has disorder","298836","2025-04-05","02:34:12",""
"7249976","6.9591","0.0009","6.8466","0.0008","8.0046","0.001","90","","115.264","0.004","90","","344.91","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H K N O4 -","- H K N O4 -","- H4 K4 N4 O16 -","4","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0156","0.0149","","","0.0366","0.0369","","","","","","1.133","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249977","12.1429","0.0011","12.8212","0.0011","10.9801","0.0009","90","","90","","90","","1709.5","0.3","120","2","120","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- H4 N2 O9 Rb2 -","- H4 N2 O9 Rb2 -","- H32 N16 O72 Rb16 -","8","0.5","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0602","0.036","","","0.0668","0.0735","","","","","","1.079","","","","has coordinates,has disorder","298838","2025-04-05","02:34:33",""
"7249978","6.705","0.0003","8.1533","0.0003","7.216","0.0002","90","","92.7189","0.0013","90","","394.04","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H N O4 Rb -","- H N O4 Rb -","- H4 N4 O16 Rb4 -","4","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0167","0.0145","","","0.0303","0.0309","","","","","","1.085","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249979","12.3185","0.0004","14.6896","0.0005","15.1162","0.0005","90","","90","","90","","2735.33","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H24 N2 O7 -","- C8 H24 N2 O7 -","- C64 H192 N16 O56 -","8","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0413","0.0346","","","0.0856","0.0896","","","","","","1.039","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249980","10.8713","0.0004","11.0969","0.0004","12.3276","0.0005","106.376","0.001","108.671","0.001","105.367","0.001","1244.23","0.08","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H40 Al Mo6 N14 O38 Zn2 -","- C18 H40 Al Mo6 N14 O38 Zn2 -","- C18 H40 Al Mo6 N14 O38 Zn2 -","1","0.5","","Zu, Zhi-fei; Liang, Ju-ju; Chang, Zhi-han; Lin, Yu-chun; Wang, Xiu-li","Triazole-derivatized ligand-directed diverse structures and polyaniline-assisted capacitive performances of two new Anderson-type [AlMo6(OH)6O18]3−-based metal–organic complexes","CrystEngComm","2025","27","13","1904","1909","10.1039/D5CE00049A","","x-ray","0.71073","MoKα","K-L~3~","0.0274","0.025","","","0.0652","0.0676","","","","","","1.051","","","","has coordinates","298835","2025-04-05","02:34:03",""
"7249981","19.3291","0.0006","18.9664","0.0005","15.4974","0.0004","90","","90","","90","","5681.4","0.3","296.15","","296.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C16 H40 Al Mo6 N16 O38 Zn2 -","- C16 H40 Al Mo6 N16 O38 Zn2 -","- C64 H160 Al4 Mo24 N64 O152 Zn8 -","4","0.5","","Zu, Zhi-fei; Liang, Ju-ju; Chang, Zhi-han; Lin, Yu-chun; Wang, Xiu-li","Triazole-derivatized ligand-directed diverse structures and polyaniline-assisted capacitive performances of two new Anderson-type [AlMo6(OH)6O18]3−-based metal–organic complexes","CrystEngComm","2025","27","13","1904","1909","10.1039/D5CE00049A","","x-ray","0.71073","MoKα","K-L~3~","0.0382","0.0295","","","0.0721","0.0798","","","","","","1.074","","","","has coordinates","298835","2025-04-05","02:34:04",""
"7249982","15.5236","0.0005","7.6804","0.0002","18.3531","0.0005","90","","114.761","0.001","90","","1987.02","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0584","0.0463","","","0.1238","0.1343","","","","","","1.058","","","","has coordinates,has disorder","298862","2025-04-05","02:41:33",""
"7249983","7.2804","0.0005","13.7782","0.001","15.2825","0.0011","106.655","0.002","92.239","0.002","103.923","0.002","1415.88","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H56 Cd N2 O7 -","- C70 H56 Cd N2 O7 -","- C70 H56 Cd N2 O7 -","1","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.086","0.0842","","","0.2503","0.2528","","","","","","1.123","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249984","15.144","0.004","14.803","0.005","15.759","0.004","90","","109.241","0.011","90","","3335.5","1.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H64 Cd N2 O6 -","- C86 H64 Cd N2 O6 -","- C172 H128 Cd2 N4 O12 -","2","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0463","0.0372","","","0.0953","0.1027","","","","","","1.094","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249985","14.4148","0.0004","15.8764","0.0005","16.3965","0.0005","61.05","0.002","75.044","0.003","63.886","0.005","2943.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C154 H112 Cd2 N4 O10 -","- C154 H112 Cd2 N4 O10 -","- C154 H112 Cd2 N4 O10 -","1","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0446","0.0317","","","0.0755","0.0903","","","","","","1.11","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249986","20.408","0.006","27.538","0.009","22.646","0.004","90","","112.654","0.008","90","","11745","6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C152 H104 Cd2 N4 O8 -","- C152 H104 Cd2 N4 O8 -","- C608 H416 Cd8 N16 O32 -","4","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0524","0.0395","","","0.0873","0.0943","","","","","","1.08","","","","has coordinates,has disorder","298862","2025-04-05","02:41:33",""
"7249987","5.9191","0.0003","19.067","0.0007","9.0123","0.0005","90","","90","","90","","1017.12","0.09","298.01","0.1","298.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0936","0.073","","","0.1547","0.1621","","","","","","1.154","","","","has coordinates","298227","2025-03-04","19:55:09",""
"7249988","5.9248","0.0001","19.0854","0.0003","9.0135","0.0001","90","","90","","90","","1019.22","0.03","297.9","0.1","297.9","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0457","0.0435","","","0.1217","0.1243","","","","","","1.07","","","","has coordinates","298227","2025-03-04","19:55:12",""
"7249989","5.9364","0.0002","19.0616","0.0008","9.0086","0.0003","90","","90","","90","","1019.39","0.06","297.98","0.1","297.98","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0731","0.0678","","","0.1912","0.1978","","","","","","1.081","","","","has coordinates","298227","2025-03-04","19:55:17",""
"7250002","11.2755","0.0005","12.5603","0.0005","14.1747","0.0006","88.076","0.003","75.092","0.004","86.99","0.003","1936.81","0.15","114.9","0.1","114.9","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C44 H40 B Cu F4 N4 O P2 -","- C44 H40 B Cu F4 N4 O P2 -","- C88 H80 B2 Cu2 F8 N8 O2 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","x-ray","0.71073","MoKα","","0.0511","0.0411","","","0.0952","0.1016","","","","","","1.075","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250003","11.9345","0.0011","13.5182","0.0012","13.6237","0.0012","85.59","0.003","82.487","0.002","88.594","0.004","2172.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H40 B Cu F4 N6 O P2 -","- C46 H40 B Cu F4 N6 O P2 -","- C92 H80 B2 Cu2 F8 N12 O2 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0923","0.0545","","","0.1367","0.156","","","","","","0.961","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250004","20.228","0.002","21.227","0.002","19.952","0.002","90","","99.407","0.003","90","","8451.8","1.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H72 Cu2 F6 N8 O6 P4 S2 -","- C88 H72 Cu2 F6 N8 O6 P4 S2 -","- C352 H288 Cu8 F24 N32 O24 P16 S8 -","4","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.2659","0.1874","","","0.3599","0.3849","","","","","","1.09","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250005","11.51","0.0011","12.721","0.0013","14.1767","0.0012","90.485","0.002","104.934","0.003","91.579","0.002","2004.6","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cu I N4 P2 -","- C43 H36 Cu I N4 P2 -","- C86 H72 Cu2 I2 N8 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0873","0.0646","","","0.1746","0.1884","","","","","","0.9438","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250006","11.9207","0.0011","13.9365","0.0012","13.9818","0.0013","86.078","0.003","82.12","0.002","87.814","0.003","2294.5","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H40 Cu F3 N6 O4 P2 S -","- C47 H40 Cu F3 N6 O4 P2 S -","- C94 H80 Cu2 F6 N12 O8 P4 S2 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0926","0.057","","","0.1486","0.1685","","","","","","1.013","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250007","11.6848","0.0011","12.8101","0.0012","14.4714","0.0013","88.363","0.003","74.601","0.002","88.134","0.003","2086.8","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Cl Cu N4 O5 P2 -","- C44 H40 Cl Cu N4 O5 P2 -","- C88 H80 Cl2 Cu2 N8 O10 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.1359","0.0867","","","0.2126","0.2433","","","","","","0.934","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250008","11.8666","0.0001","13.4149","0.0002","13.5834","0.0002","85.487","0.001","82.21","0.001","88.53","0.001","2135.49","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H40 Cl Cu N6 O5 P2 -","- C46 H40 Cl Cu N6 O5 P2 -","- C92 H80 Cl2 Cu2 N12 O10 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","x-ray","1.54184","CuKα","","0.0369","0.035","","","0.0994","0.1007","","","","","","1.027","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250009","13.0654","0.0007","16.2881","0.001","21.3823","0.0012","90","","99.09","0.002","90","","4493.2","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cu I N6 O3 P2 -","- C47 H44 Cu I N6 O2 P2 -","- C188 H176 Cu4 I4 N24 O8 P8 -","4","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0435","0.0326","","","0.077","0.0858","","","","","","1.055","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250012","13.9025","0.001","13.729","0.001","15.9725","0.001","90","","98.472","0.003","90","","3015.4","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 S -","- C10 H13 N3 S -","- C120 H156 N36 S12 -","12","3","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0563","0.0428","","","0.1257","0.131","","","","","","1.103","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250013","14.1073","0.0011","13.0293","0.001","9.4999","0.0008","90","","94.478","0.003","90","","1740.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O S -","- C19 H21 N3 O S -","- C76 H84 N12 O4 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0628","0.0415","","","0.0987","0.111","","","","","","1.021","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250014","8.5839","0.0003","19.2383","0.0008","21.3179","0.0009","90","","90","","90","","3520.4","0.2","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H20 F N3 O S -","- C19 H20 F N3 O S -","- C152 H160 F8 N24 O8 S8 -","8","2","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0483","0.0395","","","0.0867","0.0921","","","","","","1.029","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250015","8.2226","0.0005","7.7209","0.0005","14.3343","0.0011","90","","94.293","0.003","90","","907.47","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 S -","- C9 H11 N3 S -","- C36 H44 N12 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0467","0.0371","","","0.0997","0.1028","","","","","","1.089","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250016","7.776","0.0007","8.2126","0.0007","10.8516","0.001","86.364","0.003","69.904","0.003","88.495","0.003","649.49","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 S -","- C15 H15 N3 S -","- C30 H30 N6 S2 -","2","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0381","0.0364","","","0.0987","0.1002","","","","","","1.076","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250017","11.2278","0.0005","9.733","0.0004","13.8833","0.0005","90","","110.469","0.002","90","","1421.38","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C64 H68 N12 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0641","0.0483","","","0.1367","0.142","","","","","","1.146","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250018","16.9149","0.0012","9.8296","0.0006","16.9361","0.0012","90","","118.803","0.003","90","","2467.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O4 S3 -","- C26 H21 N3 O4 S3 -","- C104 H84 N12 O16 S12 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.078","0.0506","","","0.1194","0.1269","","","","","","1.055","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250019","16.8994","0.0007","17.1783","0.0008","17.8101","0.0008","61.569","0.002","79.57","0.002","88.952","0.002","4457.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N3 S -","- C11 H15 N3 S -","- C176 H240 N48 S16 -","16","8","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0506","0.0426","","","0.102","0.1073","","","","","","1.053","","","","has coordinates,has disorder","298848","2025-04-05","02:36:49",""
"7250020","8.8372","0.0003","26.8331","0.0012","7.5381","0.0003","90","","94.605","0.003","90","","1781.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O4 -","- C21 H15 N3 O4 -","- C84 H60 N12 O16 -","4","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0663","0.0455","","","0.0936","0.1048","","","","","","1.033","","","","has coordinates","298854","2025-04-05","02:38:09",""
"7250021","17.3238","0.0003","18.1345","0.0004","18.2145","0.0004","87.982","0.002","83.51","0.002","77.24","0.002","5544.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Ce2 N18 O25 -","- C126 H86 Ce2 N18 O25 -","- C252 H172 Ce4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0645","0.0418","","","0.0791","0.0914","","","","","","1.045","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250022","17.1864","0.0003","18.0738","0.0004","18.1622","0.0004","87.955","0.002","83.642","0.002","77.387","0.002","5471.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Eu2 N18 O25 -","- C126 H86 Eu2 N18 O25 -","- C252 H172 Eu4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0569","0.0338","","","0.0559","0.0614","","","","","","0.978","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250023","17.1488","0.0009","18.0395","0.0012","18.1496","0.0011","87.998","0.005","83.599","0.005","77.479","0.005","5446.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Gd2 N18 O25 -","- C126 H86 Gd2 N18 O25 -","- C252 H172 Gd4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.1131","0.0533","","","0.063","0.0775","","","","","","0.835","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250024","18.0208","0.0004","18.139","0.0004","35.215","0.0009","82.461","0.002","77.237","0.002","88.009","0.002","11129.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C252 H174 N36 O51 Tb4 -","- C252 H174 N36 O51 Tb4 -","- C504 H348 N72 O102 Tb8 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.1041","0.077","","","0.1659","0.1808","","","","","","1.082","","","","has coordinates,has disorder","298854","2025-04-05","02:38:10",""
"7250025","9.919","0.0002","18.6995","0.0004","14.2034","0.0003","90","","91.711","0.002","90","","2633.28","0.1","95","","95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H38 N2 O2 -","- C31 H38 N2 O2 -","- C124 H152 N8 O8 -","4","2","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","","","1.54184","CuKα","","0.0678","0.0585","","0.1573","0.1533","0.1573","","","","","","0.9309","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250026","8.9467","0.0001","16.7061","0.0003","32.6593","0.0005","90","","90","","90","","4881.4","0.13","95","","95","","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C26 H39 N O4 -","- C26 H39 N O4 -","- C208 H312 N8 O32 -","8","2","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","","","1.54184","CuKα","","0.0482","0.0446","","0.1137","0.1115","0.1137","","","","","","1.0315","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250027","20.0237","0.0006","17.0222","0.0005","8.20215","0.00019","90","","90","","90","","2795.68","0.13","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 N O5 -","- C28 H45 N O5 -","- C112 H180 N4 O20 -","4","1","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","powder diffraction","x-ray","1.54187","CuKα","","0.0699","0.0675","","0.0805","0.0803","","","","4.6825","","","","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250028","9.6215","0.0004","10.7098","0.0004","29.8886","0.0012","90","","90","","90","","3079.9","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C39 H39 N O4 -","- C39 H39 N O4 -","- C156 H156 N4 O16 -","4","1","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0568","0.046","","","0.0907","0.0972","","","","","","1.116","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250029","9.3267","0.0009","9.9858","0.001","18.1928","0.0019","81.945","0.004","78.493","0.004","87.89","0.004","1643.9","0.3","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C80 H82 N2 O8 -","2","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0585","0.0466","","","0.1032","0.1167","","","","","","1.127","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250030","9.3884","0.0004","34.6497","0.0013","10.1379","0.0004","90","","92.6305","0.0017","90","","3294.4","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C160 H164 N4 O16 -","4","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0431","0.0423","","","0.1135","0.1142","","","","","","1.068","","","","has coordinates,has disorder","298839","2025-04-05","02:34:46",""
"7250031","9.5704","0.0006","9.8658","0.0005","17.3649","0.001","97.408","0.002","100.565","0.002","90.588","0.002","1597.37","0.16","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C80 H82 N2 O8 -","2","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0458","0.0381","","","0.0794","0.0844","","","","","","1.059","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250032","8.5467","0.0004","9.5605","0.0005","13.016","0.0007","93.461","0.005","95.913","0.004","111.472","0.005","978.93","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F3 I3 N2 O2 -","- C14 H14 F3 I3 N2 O2 -","- C28 H28 F6 I6 N4 O4 -","2","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0598","0.04","","","0.0778","0.0892","","","","","","1.026","","","","has coordinates,has disorder","298855","2025-04-05","02:38:18",""
"7250033","28.0048","0.0013","4.8659","0.0003","15.7552","0.0009","90","","90","","90","","2146.9","0.2","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H13 F3 I3 N O3 -","- C18 H13 F3 I3 N O3 -","- C72 H52 F12 I12 N4 O12 -","4","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0385","0.0361","","","0.0982","0.1013","","","","","","1.02","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250034","8.8594","0.0005","10.1598","0.0007","12.808","0.001","92.855","0.006","95.703","0.005","99.376","0.005","1129.25","0.14","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 F12 I6 N4 O4 -","- C34 H28 F12 I6 N4 O4 -","- C34 H28 F12 I6 N4 O4 -","1","0.5","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0493","0.0348","","","0.0673","0.0753","","","","","","1.048","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250035","6.0245","0.0003","9.3655","0.0004","38.7258","0.0016","90","","92.09","0.004","90","","2183.55","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F4 I2 N2 O2 -","- C20 H18 F4 I2 N2 O2 -","- C80 H72 F16 I8 N8 O8 -","4","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0488","0.0465","","","0.1252","0.1277","","","","","","1.048","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250036","11.1392","0.0005","25.2833","0.0011","22.6009","0.0012","90","","103.461","0.002","90","","6190.4","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 Br2 O10 -","- C71 H72 Br2 O10 -","- C284 H288 Br8 O40 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.0801","0.0611","","","0.1654","0.185","","","","","","1.055","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250037","38.7491","0.0009","10.4816","0.0002","23.9295","0.0005","90","","107.054","0.001","90","","9291.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H120 Br4 O12 -","- C102 H120 Br4 O12 -","- C408 H480 Br16 O48 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.0621","0.0494","","","0.131","0.1436","","","","","","1.023","","","","has coordinates","298843","2025-04-05","02:35:48",""
"7250038","11.3658","0.0003","25.1078","0.0007","22.8023","0.0006","90","","104.364","0.001","90","","6303.7","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C73 H76 Br2 O10 -","- C73 H76 Br2 O10 -","- C292 H304 Br8 O40 -","4","1","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.1301","0.1034","","","0.2755","0.3181","","","","","","1.272","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250039","39.404","0.002","10.6754","0.0007","24.3659","0.0014","90","","107.392","0.004","90","","9781","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C106 H128 Br4 O12 -","- C106 H128 Br4 O12 -","- C424 H512 Br16 O48 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.1199","0.0752","","","0.2133","0.2571","","","","","","1.03","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250044","17.9836","0.0009","17.9846","0.0008","14.155","0.0007","90","","97.572","0.002","90","","4538.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H90 N16 O17 Zn4 -","- C98 H84 N16 O17 Zn4 -","- C196 H168 N32 O34 Zn8 -","2","0.5","","Zhao, Fang-Hua; Li, Yu-Shuo; Li, Shu-Qi; Wu, Xiao-Hong; He, Yuan-Chun; Li, Zhong-Lin","A stable two-fold interpenetrated 3D Zn(ii) MOF for fluorescence sensing of uric acid and tryptophan","CrystEngComm","2025","27","14","2223","2232","10.1039/D4CE01283F","","","0.71073","MoKα","","0.0492","0.0376","","","0.0997","0.1072","","","","","","1.016","","","","has coordinates","298852","2025-04-05","02:37:33",""
"7250046","14.2295","0.0003","15.4768","0.0003","17.3417","0.0004","70.136","0.002","79.294","0.002","85.33","0.002","3528.67","0.14","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C70.2 H68.2 Cl6.6 N15 O4 -","- C69 H67 Cl3 N15 O4 -","- C138 H134 Cl6 N30 O8 -","2","1","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","","1.3405","GaKα","","0.1149","0.0881","","","0.2705","0.2954","","","","","","1.068","","","","has coordinates","298844","2025-04-05","02:36:14",""
"7250047","22.8874","0.0011","22.8874","0.0011","57.2","0.005","90","","90","","120","","25949","3","100.02","0.1","100.02","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C146.2 H163.2 Cl21.6 N30 O6 -","- C142 H158.999 Cl9 N30 O6 -","- C852 H953.996 Cl54 N180 O36 -","6","0.333333","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.1723","0.1446","","","0.3752","0.4041","","","","","","1.456","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250048","14.3812","0.0003","15.4937","0.0003","17.2333","0.0004","71.658","0.002","79.5378","0.0019","82.7903","0.0017","3574.58","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C155 H160 Cl6 N30 O8 -","- C155.002 H160.002 Cl6.006 N30 O8 -","- C155.002 H160.002 Cl6.006 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.3405","GaKα","","0.1928","0.1378","","","0.3414","0.3586","","","","","","1.096","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250049","14.8347","0.0008","15.5615","0.0009","16.9145","0.0009","72.925","0.005","81.228","0.004","82.651","0.004","3674.6","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C145 H151 Cl9 N30 O8 -","- C145 H151 Cl9 N30 O8 -","- C145 H151 Cl9 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.2876","0.1353","","","0.3432","0.4357","","","","","","1.167","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250050","14.6409","0.0005","15.4829","0.0005","17.0956","0.0005","71.798","0.003","80.271","0.003","79.849","0.003","3596.8","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C83 H89 N15 O4 -","- C83 H89 N15 O4 -","- C166 H178 N30 O8 -","2","1","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.0914","0.0739","","","0.1878","0.198","","","","","","1.028","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250051","14.7305","0.0005","15.2894","0.0005","17.0209","0.0005","72.734","0.003","80.346","0.003","79.345","0.003","3571.5","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C150.98 H158.98 Cl3 N30 O8 -","- C150.984 H158.98 Cl3 N30 O8 -","- C150.984 H158.98 Cl3 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.1191","0.085","","","0.231","0.2611","","","","","","1.026","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250057","11.0457","0.0016","31.235","0.004","11.3942","0.0017","90","","117.679","0.005","90","","3481.3","0.9","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Cl N5 O12 -","- C35 H38 Cl N5 O12 -","- C140 H152 Cl4 N20 O48 -","4","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0957","0.0832","","","0.2077","0.2147","","","","","","1.098","","","","has coordinates","298866","2025-04-05","02:42:28",""
"7250058","8.8096","0.0005","11.2696","0.0006","21.1324","0.0012","85.724","0.002","81.896","0.002","72.086","0.002","1975.3","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H38 Cl F2 I N5 O12 -","- C38 H38 Cl F2 I N5 O12 -","- C76 H76 Cl2 F4 I2 N10 O24 -","2","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0551","0.0408","","","0.0775","0.0852","","","","","","1.122","","","","has coordinates","298866","2025-04-05","02:42:29",""
"7250059","13.111","0.006","15.861","0.008","18.599","0.009","90","","90.667","0.014","90","","3867","3","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Cl F4 I2 N4 O6 -","- C36 H33 Cl F4 I2 N4 O6 -","- C144 H132 Cl4 F16 I8 N16 O24 -","4","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0543","0.0422","","","0.1053","0.1187","","","","","","1.038","","","","has coordinates","298866","2025-04-05","02:42:31",""
"7250060","10.5962","0.0012","12.4166","0.0015","13.7105","0.0015","91.12","0.003","93.412","0.003","113.928","0.003","1644","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O10 -","- C72 H48 Cd4 N8 O20 -","2","1","","Li, Shaodong; Li, Mengzhao; Li, Jia; Zhang, Yang; Su, Feng; Ma, Longlong; Wang, Guangyan; Li, Xinlei; Wang, Zhijun","Two pH-directed coordination polymers of cadmium isomers based on a semi-rigid polycarboxylic acid: crystal structure and fluorescence sensing of tetracyclines","CrystEngComm","2025","27","15","2354","2365","10.1039/D5CE00103J","","","0.71073","MoKα","","0.0715","0.0463","","","0.1165","0.1318","","","","","","1.026","","","","has coordinates","300722","2025-07-06","15:10:31",""
"7250061","7.155","0.002","17.698","0.005","26.296","0.008","90","","93.13","0.011","90","","3324.9","1.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O10 -","- C144 H96 Cd8 N16 O40 -","4","1","","Li, Shaodong; Li, Mengzhao; Li, Jia; Zhang, Yang; Su, Feng; Ma, Longlong; Wang, Guangyan; Li, Xinlei; Wang, Zhijun","Two pH-directed coordination polymers of cadmium isomers based on a semi-rigid polycarboxylic acid: crystal structure and fluorescence sensing of tetracyclines","CrystEngComm","2025","27","15","2354","2365","10.1039/D5CE00103J","","","0.71073","MoKα","","0.0513","0.0495","","","0.1578","0.1597","","","","","","1.044","","","","has coordinates","300722","2025-07-06","15:10:32",""
"7250064","26.9074","0.0004","17.1592","0.0003","27.359","0.0004","90","","96.183","0.001","90","","12558.4","0.3","300.48","0.1","300.48","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H24 Cd2 F4 N6 O8 -","- C43 H24 Cd2 F4 N6 O8 -","- C344 H192 Cd16 F32 N48 O64 -","8","1","","Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui","A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions","CrystEngComm","2025","27","8","1139","1145","10.1039/D4CE01107D","","x-ray","1.54184","CuKα","","0.0425","0.0393","","","0.1106","0.1132","","","","","","1.089","","","","has coordinates","297955","2025-03-04","02:21:38",""
"7250065","7.5267","0.0006","11.4086","0.0009","13.3971","0.001","114.88","0.0016","91.182","0.002","94.865","0.002","1037.85","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cd N2 O10 -","- C22 H17 Cd N2 O10 -","- C44 H34 Cd2 N4 O20 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0517","0.0332","","","0.0607","0.0663","","","","","","1.034","","","","has coordinates","297956","2025-03-04","02:23:54",""
"7250066","6.546","0.004","12.633","0.007","12.865","0.007","97.026","0.019","95.24","0.02","96.96","0.02","1042","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N4 O22 Zn2 -","- C42 H34 N4 O22 Zn2 -","- C42 H34 N4 O22 Zn2 -","1","0.5","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0857","0.0463","","","0.0899","0.1029","","","","","","1.027","","","","has coordinates","297956","2025-03-04","02:24:05",""
"7250067","8.328","0.003","10.399","0.003","12.543","0.004","95.415","0.006","97.524","0.006","92.705","0.009","1070.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cd N2 O11 -","- C21 H17 Cd N2 O11 -","- C42 H34 Cd2 N4 O22 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0565","0.0493","","","0.1295","0.1334","","","","","","1.123","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250068","10.24","0.03","12.29","0.04","13.58","0.05","97.39","0.09","99.45","0.13","104.61","0.11","1605","9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H22 Cd N4 O14 -","- C38 H20 Cd N4 O14 -","- C76 H40 Cd2 N8 O28 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0716","0.0467","","","0.1104","0.1226","","","","","","1.015","","","","has coordinates,has disorder","297956","2025-03-04","02:24:06",""
"7250069","10.4465","0.0006","12.6964","0.0007","13.574","0.0008","97.2892","0.0013","99.3233","0.0013","105.765","0.0013","1681.84","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H18 Cd N4 O12 -","- C38 H18 Cd N4 O12 -","- C76 H36 Cd2 N8 O24 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0675","0.0438","","","0.0852","0.0926","","","","","","1.005","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250070","8.103","0.004","10.232","0.005","12.72","0.006","97.593","0.012","99.913","0.011","91.322","0.013","1028.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N2 O11 Zn -","- C21 H17 N2 O11 Zn -","- C42 H34 N4 O22 Zn2 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.1386","0.0742","","","0.0917","0.1055","","","","","","1.064","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250071","10.1088","0.0013","10.4401","0.0013","11.9209","0.0014","106.047","0.003","94.16","0.003","112.725","0.003","1092.2","0.2","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Cd N4 O7.5 -","- C21 H18 Cd N4 O7.5 -","- C42 H36 Cd2 N8 O15 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0636","0.0378","","","0.0598","0.0655","","","","","","1.012","","","","has coordinates","297956","2025-03-04","02:24:07",""
"7250072","10.256","0.003","12.694","0.004","13.59","0.005","97.295","0.009","99.972","0.01","105.313","0.008","1652.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H19 N4 O14 Zn -","- C39 H19 N4 O14 Zn -","- C78 H38 N8 O28 Zn2 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.1468","0.0838","","","0.2025","0.2372","","","","","","1.048","","","","has coordinates","297956","2025-03-04","02:24:07",""
"7250079","6.8778","0.0003","6.8778","0.0003","19.2548","0.0011","90","","90","","90","","910.83","0.08","287","","287","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Mg4 Na O12 V3 -","- Mg4 Na O12 V3 -","- Mg16 Na4 O48 V12 -","4","0.25","","Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng","Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials","CrystEngComm","2025","27","14","2101","2107","10.1039/D4CE01058B","","","0.71073","MoKα","","0.0194","0.0187","","","0.0438","0.0446","","","","","","1.006","","","","has coordinates","298849","2025-04-05","02:36:58",""
"7250080","6.8673","0.0006","6.8673","0.0006","18.968","0.002","90","","90","","90","","894.53","0.15","287","","287","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Li Mg4 O12 V3 -","- Li Mg4 O12 V3 -","- Li4 Mg16 O48 V12 -","4","0.25","","Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng","Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials","CrystEngComm","2025","27","14","2101","2107","10.1039/D4CE01058B","","","0.71073","MoKα","","0.0187","0.0184","","","0.0468","0.047","","","","","","1.18","","","","has coordinates","298849","2025-04-05","02:36:59",""
"7250081","7.5048","0.0014","12.3263","0.0019","26.274","0.005","90","","92.904","0.005","90","","2427.4","0.7","100","2","99.9","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C23 H21 Cd F6 N O5.5 -","- C21 H17 Cd F6 N O5 -","- C84 H68 Cd4 F24 N4 O20 -","4","1","","Balendra,; Ali, Mahboob; Sanyukta,; Murugavel, Sevi","Effect of coordinated and lattice neutral co-ligands on the dielectric properties of cadmium and magnesium based coordination polymers","CrystEngComm","2025","27","14","2136","2147","10.1039/D4CE01238K","","","0.71073","MoKα","","0.0838","0.0429","","","0.0795","0.0893","","","","","","1.045","","","","has coordinates,has disorder","298851","2025-04-05","02:37:17",""
"7250082","25.095","0.016","6.44","0.004","28.376","0.018","90","","114.671","0.018","90","","4167","5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 Mg3 N O19 S2 -","- C32 H34 Mg3 O18 S2 -","- C128 H136 Mg12 O72 S8 -","4","0.5","","Balendra,; Ali, Mahboob; Sanyukta,; Murugavel, Sevi","Effect of coordinated and lattice neutral co-ligands on the dielectric properties of cadmium and magnesium based coordination polymers","CrystEngComm","2025","27","14","2136","2147","10.1039/D4CE01238K","","","0.71073","MoKα","","0.0659","0.0498","","","0.1262","0.1356","","","","","","1.041","","","","has coordinates","298851","2025-04-05","02:37:17",""
"7250083","12.4892","0.0003","5.1131","0.0001","18.7509","0.0004","90","","90.473","0.001","90","","1197.36","0.05","100","","100","","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C23 H26 N4 O9 -","- C23 H26 N4 O9 -","- C46 H52 N8 O18 -","2","1","","Baptista, Rosa M. F.; Ayala, Alejandro P.; de Matos Gomes, Etelvina; Castro, M. Cidália R.; Machado, Ana V.; Belsley, Michael S.","Second harmonic generation and crystal structure of a self-assembled Boc-p-nitro-l-phenylalanyl-p-nitro-l-phenylalanine dipeptide","CrystEngComm","2025","27","14","2195","2203","10.1039/D5CE00134J","","x-ray","1.54178","CuKα","","0.0427","0.0357","","","0.087","0.0927","","","","","","1.018","","","","has coordinates","298847","2025-04-05","02:36:34",""
"7250087","14.0115","0.0015","7.1139","0.0007","24.401","0.003","90","","102.624","0.004","90","","2373.4","0.5","160","","160","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 -","- C30 H18 N6 -","- C120 H72 N24 -","4","1","","Nakada, Kazushi; Richards, Gary J.; Hori, Akiko","Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions","CrystEngComm","2025","27","14","2064","2069","10.1039/D5CE00114E","","","0.71073","MoKα","","0.0633","0.0483","","","0.117","0.128","","","","","","1.041","","","","has coordinates","298845","2025-04-05","02:36:21",""
"7250088","12.312","0.006","7.042","0.004","26.902","0.013","90","","98.74","0.017","90","","2305","2","160","","160","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 -","- C30 H18 N6 -","- C120 H72 N24 -","4","1","","Nakada, Kazushi; Richards, Gary J.; Hori, Akiko","Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions","CrystEngComm","2025","27","14","2064","2069","10.1039/D5CE00114E","","","0.71073","MoKα","","0.0911","0.0647","","","0.1365","0.1493","","","","","","1.076","","","","has coordinates","298845","2025-04-05","02:36:21",""
"7250089","9.4872","0.0013","7.4956","0.001","12.2757","0.0016","90","","104.888","0.002","90","","843.6","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TDBBF_1","","","- C20 H16 Br2 Fe2 -","- C20 H16 Br2 Fe2 -","- C40 H32 Br4 Fe4 -","2","0.5","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0289","0.026","","","0.0692","0.0704","","","","","","1.052","","","","has coordinates","300725","2025-07-06","15:11:04",""
"7250090","9.018","0.008","10.319","0.009","10.748","0.01","90","","90","","90","","1000.2","1.6","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","FcBrCN","","","- C11 H8 Br Fe N -","- C11 H8 Br Fe N -","- C44 H32 Br4 Fe4 N4 -","4","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0212","0.02","","","0.0496","0.05","","","","","","1.079","","","","has coordinates","300725","2025-07-06","15:11:05",""
"7250091","14.684","0.002","11.6577","0.0019","18.755","0.003","90","","108.41","0.002","90","","3046.2","0.8","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H16 Br2 Fe2 I7 -","- C20 H16 Br2 Fe2 I7 -","- C80 H64 Br8 Fe8 I28 -","4","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0358","0.0293","","","0.0463","0.0479","","","","","","0.963","","","","has coordinates","300725","2025-07-06","15:11:05",""
"7250092","13.194","0.003","14.16","0.003","18.352","0.004","90","","90","","90","","3428.6","1.3","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TDBBF_R_3_90K","","","- C20 H16 Br2 Fe2 -","- C20 H16 Br2 Fe2 -","- C160 H128 Br16 Fe16 -","8","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0596","0.0339","","","0.0671","0.074","","","","","","1.003","","","","has coordinates","300725","2025-07-06","15:11:05",""
"7250093","17.9766","0.0019","5.7375","0.0005","18.7841","0.0018","90","","93.907","0.004","90","","1932.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenylbutazone solvate with acetonitrile","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C84 H92 N12 O8 -","4","1","","Gabdulkhaev, Mukhammet N.; Simdyanova, Anastasia V.; Bolmatenkov, Dmitrii N.; Gubaidullin, Aidar T.; Mukhametzyanov, Timur A.; Ziganshin, Marat A.; Gorbatchuk, Valery V.","New approach for preparation of metastable phenylbutazone polymorphs","CrystEngComm","2025","27","16","2490","2501","10.1039/D5CE00094G","","","0.71073","MoKα","","0.1794","0.1394","","","0.2782","0.2957","","","","","","1.145","","","","has coordinates,has disorder","300708","2025-07-06","15:06:21",""
"7250094","16.215","0.001","5.9581","0.0004","17.4194","0.0012","90","","92.782","0.002","90","","1680.92","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-phenylbutazone","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Gabdulkhaev, Mukhammet N.; Simdyanova, Anastasia V.; Bolmatenkov, Dmitrii N.; Gubaidullin, Aidar T.; Mukhametzyanov, Timur A.; Ziganshin, Marat A.; Gorbatchuk, Valery V.","New approach for preparation of metastable phenylbutazone polymorphs","CrystEngComm","2025","27","16","2490","2501","10.1039/D5CE00094G","","","0.71073","MoKα","","0.0555","0.0441","","","0.1138","0.1223","","","","","","1.016","","","","has coordinates","300708","2025-07-06","15:06:22",""
"7250095","7.4586","0.0006","5.8956","0.0005","11.3644","0.0009","90","","112.375","0.003","90","","462.1","0.07","274","2","274","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- K Se2 Zn1.51 -","- K Se2 Zn1.5145 -","- K4 Se8 Zn6.058 -","4","1","","Wang, Kuan-Lin; Lin, Cai-Fei; Cheng, Chin; Huang, Tzu-Chi; Lin, Bi-Hsuan; Xie, Yu-Lin; Wang, Bo-Yuan; Kung, Jennifer; Lin, Kuang-I; Hsu, Kuei-Fang","Zinc selenide stabilized in a quadrilateral network characterized with optical emissions","CrystEngComm","2025","27","16","2483","2489","10.1039/D4CE01251H","","","0.71073","MoKα","","0.0823","0.0611","","","0.1222","0.1337","","","","","","1.086","","","","has coordinates","300702","2025-07-06","15:04:41",""
"7250096","7.462","0.0002","5.9687","0.0001","11.3465","0.0002","90","","112.251","0.001","90","","467.724","0.017","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- K Mg0.23 Se2 Zn1.28 -","- K Mg0.232 Se2 Zn1.278 -","- K4 Mg0.928 Se8 Zn5.112 -","4","1","","Wang, Kuan-Lin; Lin, Cai-Fei; Cheng, Chin; Huang, Tzu-Chi; Lin, Bi-Hsuan; Xie, Yu-Lin; Wang, Bo-Yuan; Kung, Jennifer; Lin, Kuang-I; Hsu, Kuei-Fang","Zinc selenide stabilized in a quadrilateral network characterized with optical emissions","CrystEngComm","2025","27","16","2483","2489","10.1039/D4CE01251H","","","0.71073","MoKα","","0.0134","0.0116","","","0.0245","0.0254","","","","","","1.144","","","","has coordinates","300702","2025-07-06","15:04:41",""
"7250097","9.6385","0.0019","7.4706","0.0015","7.7536","0.0016","90","","95.69","0.03","90","","555.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N2 -","- C6 H7 N2 -","- C24 H28 N8 -","4","1","","Zhao, Jiawei; Wang, Na; Zhou, Lina; Wang, Ting; Huang, Xin; Wang, Ailian; Zhang, Longgui; Hao, Hongxun","Mechanistic study on the crystal habit of 3,3′-diaminobenzidine in the presence of solvents and additives","CrystEngComm","2025","27","14","2204","2222","10.1039/D4CE01237B","","","0.71073","MoKα","","0.0924","0.056","","","0.1111","0.1258","","","","","","1.0455","","","","has coordinates","298846","2025-04-05","02:36:28",""
"7250098","7.9533","0.0011","33.455","0.004","8.0313","0.001","90","","90","","90","","2136.9","0.5","296.15","","296.15","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C14 H18 Br6 Cd N2 -","- C14 H18 Br6 Cd N2 -","- C56 H72 Br24 Cd4 N8 -","4","0.5","","Zhang, Wanxu; Zheng, Yongzhuo; Liu, Mei; Wei, Wenqing; Wang, Juan; Guo, Fengwan","Enhancement of intrinsic luminescence by Sb3+ doped (C7H9N)2CdBr6 with lone pair 5s2 electrons","CrystEngComm","2025","27","18","2841","2847","10.1039/D5CE00031A","","","0.71073","MoKα","","0.0444","0.0332","","","0.0712","0.075","","","","","","1.047","","","","has coordinates","300728","2025-07-06","15:11:30",""
"7250099","7.8589","0.0008","33.063","0.003","7.9671","0.0008","90","","90","","90","","2070.2","0.4","100","","100","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C14 H18 Br6 Cd N2 -","- C14 H18 Br6 Cd N2 -","- C56 H72 Br24 Cd4 N8 -","4","0.5","","Zhang, Wanxu; Zheng, Yongzhuo; Liu, Mei; Wei, Wenqing; Wang, Juan; Guo, Fengwan","Enhancement of intrinsic luminescence by Sb3+ doped (C7H9N)2CdBr6 with lone pair 5s2 electrons","CrystEngComm","2025","27","18","2841","2847","10.1039/D5CE00031A","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.0686","0.0703","","","","","","1.06","","","","has coordinates","300728","2025-07-06","15:11:31",""
"7250102","25.649","0.005","9.0726","0.0016","6.769","0.0014","90","","92.424","0.006","90","","1573.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O2 -","- C3 H7 N9 O2 -","- C24 H56 N72 O16 -","8","2","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.1017","0.0887","","","0.2414","0.2572","","","","","","1.078","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250103","7.2861","0.0005","5.9922","0.0004","8.2491","0.0006","90","","97.669","0.002","90","","356.93","0.04","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 N7 O3 -","- C3 H5 N7 O3 -","- C6 H10 N14 O6 -","2","0.5","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0507","0.041","","","0.1006","0.1067","","","","","","1.083","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250104","7.7908","0.001","15.457","0.002","7.2605","0.0011","90","","114.635","0.004","90","","794.75","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O2 -","- C3 H7 N9 O2 -","- C12 H28 N36 O8 -","4","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0769","0.05","","","0.1125","0.1225","","","","","","1.075","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250105","3.8698","0.0002","8.331","0.0005","11.6487","0.0008","90","","95.015","0.002","90","","374.11","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H6 N8 O2 -","- C3 H6 N8 O2 -","- C6 H12 N16 O4 -","2","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0371","0.0322","","","0.0728","0.0758","","","","","","1.109","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250106","6.5314","0.0004","25.0039","0.0017","9.2895","0.0006","90","","90","","90","","1517.07","0.17","296","2","296","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C3 H8 N10 O -","- C3 H8 N10 O -","- C24 H64 N80 O8 -","8","0.5","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.081","0.0743","","","0.1669","0.172","","","","","","1.06","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250107","9.2271","0.0012","14.2917","0.0017","6.4999","0.0008","90","","101.078","0.004","90","","841.18","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 N9 O2 -","- C3 H9 N9 O2 -","- C12 H36 N36 O8 -","4","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0738","0.0535","","","0.143","0.1554","","","","","","1.056","","","","has coordinates","300706","2025-07-06","15:06:07",""
"7250108","10.777847","0.000009","10.777847","0.000009","37.81681","0.00003","90","","90","","120","","3804.34","0.005","290","","290","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Ni0.5V7O28","- Ca10 Ni0.5 O28 V7 -","- Ca10.049 Ni0.451 O28 V7 -","- Ca60.294 Ni2.706 O168 V42 -","6","0.333333","","Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech","Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities","CrystEngComm","2025","27","15","2343","2353","10.1039/D4CE01033G","powder diffraction","","0.354207","?synchrotron?","","","","","","","","","8.0023","3.06","","","","","","","has coordinates","300724","2025-07-06","15:10:54",""
"7250109","10.754139","0.00001","10.754139","0.00001","37.72676","0.00004","90","","90","","120","","3778.6","0.006","50","","50","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Ni0.5V7O28","- Ca10 Ni0.5 O28 V7 -","- Ca10.065 Ni0.435 O28 V7 -","- Ca60.39 Ni2.61 O168 V42 -","6","0.333333","","Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech","Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities","CrystEngComm","2025","27","15","2343","2353","10.1039/D4CE01033G","powder diffraction","","0.354207","synchrotron","","","","","","","","","7.4933","2.54","","","","","","","has coordinates","300724","2025-07-06","15:10:55",""
"7250110","19.1222","0.0009","8.7885","0.0004","14.5433","0.0007","90","","90","","90","","2444.1","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H11 Cu I N S2 -","- C9 H11 Cu I N S2 -","- C72 H88 Cu8 I8 N8 S16 -","8","1","","Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav","Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation","CrystEngComm","2025","27","16","2462","2469","10.1039/D5CE00124B","","","0.71073","MoKα","","0.0341","0.0304","","","0.0774","0.0809","","","","","","0.853","","","","has coordinates","300707","2025-07-06","15:06:14",""
"7250111","18.7689","0.0004","8.6676","0.0003","14.2353","0.0004","90","","90","","90","","2315.82","0.11","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H11 Br Cu N S2 -","- C9 H11 Br Cu N S2 -","- C72 H88 Br8 Cu8 N8 S16 -","8","1","","Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav","Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation","CrystEngComm","2025","27","16","2462","2469","10.1039/D5CE00124B","","x-ray","0.71073","MoKα","","0.0568","0.0342","","","0.0769","0.0879","","","","","","1.064","","","","has coordinates","300707","2025-07-06","15:06:15",""
"7250112","19.6964","0.0007","17.1246","0.0006","12.4454","0.0004","90","","89.952","0.003","90","","4197.7","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Cl4 N4 O12 Tb2 -","- C30 H46 Cl4 N4 O12 Tb2 -","- C120 H184 Cl16 N16 O48 Tb8 -","4","0.5","","Cao, Lin-Bo; Wang, Hao; Wang, Tian-Tian; Sun, Wen-Bin","Fluorescence quenching-based sensing of ofloxacin using dual-nuclear terbium complex","CrystEngComm","2025","27","15","2366","2370","10.1039/D5CE00165J","","x-ray","0.71073","MoKα","","0.0326","0.0249","","","0.0543","0.0568","","","","","","1.045","","","","has coordinates","300723","2025-07-06","15:10:38",""
"7250113","8.5168","0.0001","11.751","0.0002","14.3094","0.0003","110.381","0.002","91.88","0.002","94.517","0.002","1335.49","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","EG-2MIE","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","2","","Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu","Improvement of humidity stability of ethyl gallate by the cocrystal strategy and study of dissolution behavior of the cocrystal","CrystEngComm","2025","27","16","2577","2590","10.1039/D5CE00174A","","","1.54184","CuKα","","0.0464","0.0452","","","0.1299","0.1312","","","","","","1.061","","","","has coordinates,has disorder","300703","2025-07-06","15:04:49",""
"7250114","7.0043","0.0002","11.7986","0.0003","14.0615","0.0004","79.478","0.002","83.701","0.002","82.92","0.002","1129.27","0.05","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","EG-Hydrate","","- C9 H15 O7.5 -","- C9 H15 O7.5 -","- C36 H60 O30 -","4","2","","Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu","Improvement of humidity stability of ethyl gallate by the cocrystal strategy and study of dissolution behavior of the cocrystal","CrystEngComm","2025","27","16","2577","2590","10.1039/D5CE00174A","","x-ray","1.54184","CuKα","","0.034","0.0323","","","0.0906","0.0919","","","","","","1.06","","","","has coordinates","300703","2025-07-06","15:04:49",""
"7250115","6.8673","0.0007","11.7052","0.0011","17.4705","0.0014","90","","92.559","0.008","90","","1402.9","0.2","222.97","0.1","222.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","FYX-HCl-H2O","","- C13 H11 Cl N6 O -","- C13 H11 Cl N6 O -","- C52 H44 Cl4 N24 O4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","x-ray","0.71073","MoKα","","0.1026","0.0613","","","0.1327","0.1703","","","","","","1.061","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250116","25.4485","0.0008","12.9002","0.0005","4.46615","0.00012","90","","90","","90","","1466.2","0.08","273","0.1","273","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","FYX–H2SO4 II","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","x-ray","1.54184","CuKα","","0.0448","0.0414","","","0.1197","0.1224","","","","","","1.082","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250117","3.8498","0.0012","12.368","0.003","12.116","0.004","90","","96.377","0.013","90","","573.3","0.3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","FYX I","","- C13 H8 N6 -","- C13 H8 N6 -","- C26 H16 N12 -","2","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","","1.34139","GaKα","","0.0873","0.0748","","","0.1896","0.1979","","","","","","1.149","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250118","12.6047","0.0013","25.471","0.003","4.4874","0.0005","90","","90","","90","","1440.7","0.3","150","","150","","","","","","","","","5","P n n 2","P 2 -2n","34","","FYX-H2SO4 II","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","","1.34139","GaKα","","0.0372","0.0347","","","0.088","0.0896","","","","","","1.059","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250119","8.6846","0.0003","17.1907","0.0005","9.6432","0.0003","90","","92.371","0.001","90","","1438.44","0.08","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","FYX-H2SO4 I","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","","0.71073","MoKα","","0.0566","0.0435","","","0.0923","0.1056","","","","","","1.165","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250127","10.2159","0.0006","11.9887","0.0004","12.2929","0.0005","86.478","0.003","89.905","0.004","83.462","0.004","1492.94","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Fe N10 O15.5 -","- C21 H28 Fe N10 O15.5 -","- C42 H56 Fe2 N20 O31 -","2","1","","Danilescu, Olga; Bourosh, Paulina; Bulhac, Ion; Kulikova, Olga; Cocu, Maria; Chumakov, Yurii","Mononuclear high-spin Fe(iii) complexes: synthesis, crystal structures, magnetic and optical properties","CrystEngComm","2025","27","19","3006","3017","10.1039/D5CE00125K","","","0.71073","MoKα","","0.0587","0.0463","","","0.1217","0.132","","","","","","1.003","","","","has coordinates","300699","2025-07-06","15:03:47",""
"7250128","13.4972","0.0005","16.7467","0.0007","17.1179","0.0006","89.179","0.003","71.646","0.003","70.421","0.004","3442","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 Cl3 Fe N7 O18.5 -","- C21 H28 Cl3 Fe N7 O18.5 -","- C84 H112 Cl12 Fe4 N28 O74 -","4","2","","Danilescu, Olga; Bourosh, Paulina; Bulhac, Ion; Kulikova, Olga; Cocu, Maria; Chumakov, Yurii","Mononuclear high-spin Fe(iii) complexes: synthesis, crystal structures, magnetic and optical properties","CrystEngComm","2025","27","19","3006","3017","10.1039/D5CE00125K","","","0.71073","MoKα","","0.1326","0.0902","","","0.2655","0.3042","","","","","","1.005","","","","has coordinates,has disorder","300699","2025-07-06","15:03:47",""
"7250129","7.9903","0.0004","11.0983","0.0004","18.2204","0.0009","92.71","0.004","99.636","0.004","103.104","0.004","1545.36","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H28 O3 -","- C41 H28 O3 -","- C82 H56 O6 -","2","1","","Shehayeb, Elissa O.; Assoud, Abdeljalil; Au, Vonika Ka-Man","Aldehyde-based triphenylethylene organic crystals for aniline vapour detection","CrystEngComm","2025","27","16","2470","2476","10.1039/D5CE00022J","","","0.71073","MoKα","","0.0854","0.0681","","","0.1461","0.1525","","","","","","1.236","","","","has coordinates","300710","2025-07-06","15:07:14",""
"7250132","14.586","0.0003","14.586","0.0003","17.4069","0.0003","90","","90","","120","","3207.19","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H24 F3 La O18 -","- C9 H24 F3 La O18 -","- C54 H144 F18 La6 O108 -","6","0.333333","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0321","0.0314","","","0.08","0.0805","","","","","","1.083","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250133","12.011","0.002","26.422","0.005","10.489","0.002","90","","108.86","0.03","90","","3150","1.1","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15.5 Br5 La N2 O11.75 -","- C27 H12 Br5 La N2 O10 -","- C108 H48 Br20 La4 N8 O40 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","","0.710917","Synchrotron","","0.0746","0.0605","","","0.1583","0.171","","","","","","1.038","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250134","11.8532","0.0002","26.2857","0.0004","10.5597","0.0002","90","","107.882","0.002","90","","3131.14","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl5 La N2 O13 -","- C27 H16 Cl5 La N2 O12 -","- C108 H64 Cl20 La4 N8 O48 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0409","0.0375","","","0.0896","0.091","","","","","","1.045","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250135","10.8019","0.0004","12.6028","0.0005","13.3338","0.0005","109.799","0.003","90.154","0.003","108.366","0.003","1608.68","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Br4 La N O11 -","- C28 H24 Br4 La N O11 -","- C56 H48 Br8 La2 N2 O22 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.1037","0.1017","","","0.2876","0.2919","","","","","","1.37","","","","has coordinates,has disorder","300709","2025-07-06","15:07:06",""
"7250136","11.7957","0.0003","26.311","0.0005","10.5813","0.0003","90","","108.089","0.003","90","","3121.67","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl5 La N2 O13 -","- C27 H18 Cl5 La N2 O13 -","- C108 H72 Cl20 La4 N8 O52 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0582","0.0494","","","0.1311","0.138","","","","","","1.142","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250137","10.7111","0.0003","11.8605","0.0004","13.2161","0.0004","97.055","0.002","94.584","0.002","107.293","0.003","1578.87","0.09","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 Br4 La N O19 -","- C19 H24 Br4 La N O19 -","- C38 H48 Br8 La2 N2 O38 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0399","0.0382","","","0.1057","0.107","","","","","","1.118","","","","has coordinates,has disorder","300709","2025-07-06","15:07:06",""
"7250138","13.0706","0.0002","13.8311","0.0002","18.0949","0.0002","92.541","0.001","90.289","0.001","101.008","0.001","3207.56","0.08","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl8 La2 N6 O29 -","- C46 H50 Cl8 La2 N6 O29 -","- C92 H100 Cl16 La4 N12 O58 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0481","0.0463","","","0.1276","0.1294","","","","","","1.049","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250139","10.7781","0.0004","11.4423","0.0004","12.9249","0.0004","103.513","0.003","94.393","0.003","106.749","0.003","1466.26","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl4 La N O12 -","- C25 H22 Cl4 La N O12 -","- C50 H44 Cl8 La2 N2 O24 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0404","0.0381","","","0.1016","0.1038","","","","","","1.0331","","","","has coordinates,has disorder","300709","2025-07-06","15:07:06",""
"7250140","12.1099","0.0001","26.346","0.0002","10.5165","0.0001","90","","108.823","0.001","90","","3175.82","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Br5 La N2 O13 -","- C27 H12 Br5 La N2 O13 -","- C108 H48 Br20 La4 N8 O52 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0263","0.0259","","","0.0637","0.064","","","","","","1.0592","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250141","10.7076","0.0003","15.1774","0.0007","24.6897","0.0008","90","","101.81","0.002","90","","3927.5","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B6 F16 N28 -","- C68 H80 Ag2 B6 F16 N28 -","- C136 H160 Ag4 B12 F32 N56 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0362","0.0339","","","0.093","0.0944","","","","","","1.043","","","","has coordinates,has disorder","300693","2025-07-06","15:00:03",""
"7250142","10.7065","0.0003","15.4255","0.0003","24.8186","0.0005","90","","100.862","0.002","90","","4025.43","0.16","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B4 F20 N28 P2 -","- C68 H80 Ag2 B4 F20 N28 P2 -","- C136 H160 Ag4 B8 F40 N56 P4 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0539","0.0456","","","0.1141","0.1191","","","","","","1.035","","","","has coordinates,has disorder","300693","2025-07-06","15:00:03",""
"7250143","11.8538","0.0004","12.0482","0.0004","14.9556","0.0005","84.711","0.003","70.296","0.003","72.827","0.003","1921.14","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H84 Ag2 B6 F16 N24 O2 -","- C67 H84 Ag2 B6 F16 N24 O2 -","- C67 H84 Ag2 B6 F16 N24 O2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0572","0.0497","","","0.1221","0.1288","","","","","","1.112","","","","has coordinates,has disorder","300693","2025-07-06","15:00:03",""
"7250144","4.8187","0.001","18.098","0.004","20.308","0.004","77.995","0.006","89.089","0.006","85.412","0.006","1726.8","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","","0.71073","MoKα","","0.1026","0.0513","","","0.0982","0.1139","","","","","","0.994","","","","has coordinates","300693","2025-07-06","15:00:03",""
"7250145","9.1775","0.0008","10.1075","0.0008","43.74","0.004","95.436","0.006","94.643","0.007","92.586","0.007","4020.2","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H70 Ag5 B4 F18 N24 O11 P5 -","- C60 H70 Ag5 B4 F18 N24 O11 P5 -","- C120 H140 Ag10 B8 F36 N48 O22 P10 -","2","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.1466","0.1189","","","0.2599","0.2799","","","","","","1.054","","","","has coordinates","300693","2025-07-06","15:00:03",""
"7250146","11.3667","0.0004","16.8858","0.0005","16.9432","0.0006","61.779","0.002","85.708","0.003","74.541","0.002","2756.75","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H102 Ag2 B6 F24 N36 P2 -","- C90 H102 Ag2 B6 F24 N36 P2 -","- C90 H102 Ag2 B6 F24 N36 P2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0639","0.053","","","0.1341","0.1418","","","","","","1.029","","","","has coordinates","300693","2025-07-06","15:00:03",""
"7250147","9.2212","0.0003","10.1196","0.0003","43.8086","0.0017","95.07","0.003","94.753","0.003","92.657","0.003","4052.1","0.2","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H70 Ag5 B4 Cl5 F8 N24 O21 -","- C60 H70 Ag5 B4 Cl5 F8 N24 O21 -","- C120 H140 Ag10 B8 Cl10 F16 N48 O42 -","2","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","0.71073","MoKα","","0.1733","0.0828","","","0.2262","0.2625","","","","","","0.919","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250148","4.9084","0.0002","18.173","0.0007","20.2142","0.0007","77.493","0.003","89.044","0.003","83.528","0.003","1749.05","0.12","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.052","0.0501","","","0.1351","0.1379","","","","","","1.037","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250149","10.7497","0.0004","15.1327","0.0004","24.7495","0.0007","90","","101.452","0.002","90","","3945.9","0.2","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B4 Cl2 F8 N28 O8 -","- C68 H80 Ag2 B4 Cl2 F8 N28 O8 -","- C136 H160 Ag4 B8 Cl4 F16 N56 O16 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0373","0.0345","","","0.0949","0.0963","","","","","","1.062","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250150","9.2292","0.0003","24.4944","0.001","17.7165","0.0005","90","","90","","90","","4005.1","0.2","100","","100","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C34 H40 Ag B2 F4 N14 O4 Re -","- C34 H40 Ag B2 F4 N14 O4 Re -","- C136 H160 Ag4 B8 F16 N56 O16 Re4 -","4","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0713","0.0632","","","0.1724","0.1819","","","","","","1.049","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250151","21.2429","0.0008","18.7393","0.0006","9.1588","0.0004","90","","93.488","0.003","90","","3639.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Ag2 B2 F4 N14 O6 -","- C30 H34 Ag2 B2 F4 N14 O6 -","- C120 H136 Ag8 B8 F16 N56 O24 -","4","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0706","0.056","","","0.1468","0.1593","","","","","","1.051","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250152","7.3962","0.0003","7.7483","0.0003","10.1053","0.0003","74.404","0.003","72.51","0.003","75.828","0.003","523.46","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 N2 O8 S2 -","- C14 H32 N2 O8 S2 -","- C14 H32 N2 O8 S2 -","1","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0308","0.0306","","","0.0884","0.0887","","","","","","1.0517","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250153","10.586","0.0003","11.312","0.0004","11.39","0.0004","68.084","0.003","66.508","0.003","64.091","0.003","1091.91","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 F4 I2 N6 O14 -","- C38 H46 F4 I2 N6 O14 -","- C38 H46 F4 I2 N6 O14 -","1","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.068","0.0674","","","0.1793","0.1798","","","","","","1.0417","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250154","8.5145","0.0002","14.7946","0.0003","10.0414","0.0002","90","","104.389","0.002","90","","1225.22","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 N4 O6 S4 -","- C16 H32 N4 O6 S4 -","- C32 H64 N8 O12 S8 -","2","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0329","0.0313","","","0.0844","0.0861","","","","","","1.0475","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250155","7.543","0.0001","11.822","0.0001","20.072","0.0002","90","","99.41","0.001","90","","1765.8","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C64 H92 N12 O28 -","2","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0403","0.0365","","","0.0934","0.0962","","","","","","1.0273","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250156","10.146","0.0002","14.144","0.0004","14.505","0.0003","91.7","0.0019","105.501","0.0019","101.171","0.002","1960.51","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 N2 O6 S2 -","- C22 H40 N2 O6 S2 -","- C66 H120 N6 O18 S6 -","3","1.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0449","0.0416","","","0.1125","0.1159","","","","","","1.0253","","","","has coordinates,has disorder","300694","2025-07-06","15:02:11",""
"7250157","8.382","0.0001","11.492","0.0002","19.223","0.0003","86.229","0.002","80.13","0.001","84.865","0.002","1814.54","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C64 H92 N12 O28 -","2","1","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0664","0.06","","","0.1544","0.1588","","","","","","1.0473","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250158","8.189","0.0001","14.73","0.0001","21.856","0.0002","90","","90.56","0.001","90","","2636.23","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 N2 O7 S2 -","- C22 H42 N2 O7 S2 -","- C88 H168 N8 O28 S8 -","4","1","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0343","0.0319","","","0.0808","0.0826","","","","","","1.0311","","","","has coordinates,has disorder","300694","2025-07-06","15:02:11",""
"7250159","11.5","0.0001","16.761","0.0002","19.589","0.0002","104.953","0.001","91.171","0.001","95.137","0.001","3629.58","0.07","99.98","0.11","99.98","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C128 H184 N24 O56 -","4","2","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0487","0.0455","","","0.1465","0.15","","","","","","1.0377","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250161","10.0382","0.0002","10.0382","0.0002","7.9849","0.0002","90","","90","","120","","696.81","0.03","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C6 H14 Cs I3 N2 -","- C6 H14 Cs I3 N2 -","- C12 H28 Cs2 I6 N4 -","2","0.0833333","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0244","0.0233","","","0.0522","0.0524","","","","","","1.293","","","","has coordinates","300705","2025-07-06","15:05:21",""
"7250162","16.3508","0.0002","16.3508","0.0002","21.9979","0.0002","90","","90","","120","","5093.19","0.1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Br3 N2 Na -","- C6 H14 Br3 N2 Na -","- C108 H252 Br54 N36 Na18 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","1.54184","CuKα","","0.016","0.0159","","","0.0375","0.0375","","","","","","1.146","","","","has coordinates","300705","2025-07-06","15:05:23",""
"7250163","16.0388","0.0002","16.0388","0.0002","22.2094","0.0004","90","","90","","120","","4947.79","0.12","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Cl3 K N2 -","- C6 H14 Cl3 K N2 -","- C108 H252 Cl54 K18 N36 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0164","0.0159","","","0.0422","0.0424","","","","","","1.157","","","","has coordinates","300705","2025-07-06","15:05:30",""
"7250164","9.77","0.0001","9.77","0.0001","11.9653","0.0002","90","","90","","120","","989.11","0.02","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C6 H14 Cl2 Cs I N2 -","- C6 H14 Cl2 Cs I N2 -","- C18 H42 Cl6 Cs3 I3 N6 -","3","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0186","0.0173","","","0.0354","0.0357","","","","","","1.037","","","","has coordinates","300705","2025-07-06","15:05:30",""
"7250165","9.8044","0.0002","9.8273","0.0003","27.3662","0.0007","90","","90","","90","","2636.75","0.12","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 Br3 Cs N2 -","- C6 H14 Br3 Cs N2 -","- C48 H112 Br24 Cs8 N16 -","8","1","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0429","0.0344","","","0.0802","0.0832","","","","","","1.052","","","","has coordinates,has disorder","300705","2025-07-06","15:05:30",""
"7250166","16.5223","0.0003","16.5223","0.0003","23.0126","0.0006","90","","90","","120","","5440.5","0.2","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Br3 K N2 -","- C6 H14 Br3 K N2 -","- C108 H252 Br54 K18 N36 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0222","0.0198","","","0.0495","0.05","","","","","","1.064","","","","has coordinates","300705","2025-07-06","15:05:31",""
"7250167","9.6698","0.0007","9.6698","0.0007","12.2899","0.0009","90","","90","","120","","995.21","0.13","153","2","153","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H14 I3 K N2 -","- C6 H14 I3 K N2 -","- C18 H42 I9 K3 N6 -","3","0.166667","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0693","0.0667","","","0.1542","0.1553","","","","","","1.296","","","","has coordinates","300705","2025-07-06","15:05:40",""
"7250168","15.8747","0.0001","15.8747","0.0001","21.1921","0.0002","90","","90","","120","","4625.04","0.06","149.98","0.1","149.98","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Cl3 N2 Na -","- C6 H14 Cl3 N2 Na -","- C108 H252 Cl54 N36 Na18 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","x-ray","1.54184","CuKα","","0.023","0.0226","","","0.0777","0.0781","","","","","","1.034","","","","has coordinates","300705","2025-07-06","15:05:41",""
"7250169","41.1638","0.0016","9.4899","0.0001","32.6647","0.0013","90","","131.638","0.007","90","","9536.4","1.2","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Cl12 Cs4 N8 -","- C24 H56 Cl12 Cs4 N8 -","- C192 H448 Cl96 Cs32 N64 -","8","1","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0374","0.0295","","","0.0703","0.0735","","","","","","1.027","","","","has coordinates","300705","2025-07-06","15:05:50",""
"7250170","20.809","0.003","18.499","0.002","10.0983","0.0012","90","","95.989","0.006","90","","3866.1","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H41 O12 S4 -","- C38 H41 O12 S4 -","- C152 H164 O48 S16 -","4","0.5","","Lei, Min; Jiang, Lisha; Wang, Chunhui; Song, Jianxin; Liu, Wei; Qiu, Jie","A flexible molecular organic crystal with π–π bonding for the highly selective recognition of hydrogen isotopes","CrystEngComm","2025","27","16","2591","2599","10.1039/D5CE00221D","","","0.71073","MoKα","","0.1062","0.0772","","","0.1755","0.191","","","","","","1.117","","","","has coordinates,has disorder","300704","2025-07-06","15:04:56",""
"7250174","10.078","0.002","9.888","0.002","20.434","0.004","90","","101.85","0.03","90","","1992.9","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(5-(diphenylamino)-2-formylphenoxy)benzonitrile","","- C26 H18 N2 O2 -","- C26 H18 N2 O2 -","- C104 H72 N8 O8 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.7","synchrotron","","0.0949","0.0574","","","0.1433","0.166","","","","","","1.034","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250175","7.684","0.0015","8.609","0.0017","19.253","0.004","87.9","0.03","89.11","0.03","78.07","0.03","1245.2","0.5","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","2-(2-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-5-(diphenylamino)phenoxy)benzonitrile","","- C32 H24 N4 O4 -","- C32 H24 N4 O4 -","- C64 H48 N8 O8 -","2","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.63","synchrotron","","0.1113","0.102","","","0.31","0.3147","","","","","","1.104","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250176","7.518","0.0015","36.519","0.007","9.083","0.0018","90","","97.19","0.03","90","","2474.1","0.9","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl (E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylate","","- C31 H23 N3 O3 -","- C31 H23 N3 O3 -","- C124 H92 N12 O12 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.7","synchrotron","","0.1111","0.0546","","","0.119","0.1413","","","","","","1.018","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250177","8.658","0.0017","10.746","0.002","13.271","0.003","76.39","0.03","74.05","0.03","83.35","0.03","1152.1","0.5","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylamide","","- C29 H20 N4 O2 -","- C29 H20 N4 O2 -","- C58 H40 N8 O4 -","2","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.63","synchrotron","","0.0546","0.0443","","","0.1167","0.124","","","","","","1.045","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250178","11.226","0.002","13.215","0.003","16.773","0.003","81.42","0.03","87.99","0.03","69.34","0.03","2301.8","0.9","221","2","221","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylic acid","","- C29 H19 N3 O3 -","- C29 H19 N3 O3 -","- C116 H76 N12 O12 -","4","2","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.63","synchrotron","","0.1026","0.0763","","","0.2179","0.2387","","","","","","1.069","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250179","25.471","0.004","26.107","0.004","26.205","0.004","90","","90","","90","","17426","5","170","","170","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C84 H200 Ag40 Nb6 O19 S32 -","- C84 H194 Ag40 Nb6 O19 S32 -","- C336 H776 Ag160 Nb24 O76 S128 -","4","0.5","","Zeng, Li; Lin, Ya-Ting; Hong, Li-Hao; Sun, Yan-Qiong; Xie, Jianping; Zheng, Shou-Tian; Li, Xin-Xiong","A new silver–thiolate nanocluster synthesized utilizing pure-inorganic polyoxoniobate as a starting template and its variable-temperature fluorescence properties","CrystEngComm","2025","27","18","2883","2887","10.1039/D5CE00195A","","","0.71073","MoKα","","0.0368","0.0308","","","0.0696","0.0744","","","","","","1.041","","","","has coordinates","300727","2025-07-06","15:11:23",""
"7250184","13.43","0.0014","8.8535","0.001","11.7594","0.0012","90","","99.231","0.006","90","","1380.1","0.3","281","2","281.59","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lenalidomide Dihydrate","3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Zhang, Qi; Zhu, Yitong; Xu, Yisheng; Yang, Huaiyu; Li, Wei; Zhang, Xiangyang","Different thermal and solubility properties with an identical crystal structure – case of lenalidomide hydrate","CrystEngComm","2025","27","18","2815","2823","10.1039/D4CE00798K","","","1.54178","CuKα","","0.1059","0.0806","","","0.2268","0.2677","","","","","","1.063","","","","has coordinates","300726","2025-07-06","15:11:11",""
"7250185","8.1897","0.0005","29.5212","0.0016","8.055","0.0005","90","","99.46","0.006","90","","1921","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl2 N O -","- C23 H16 Cl2 N O -","- C92 H64 Cl8 N4 O4 -","4","1","","Xiao, Hui; Ma, HuiLi; Wang, Jingyi; An, Zhongfu; Guo, Zhiyong","Crystallization-induced highly efficient phosphorescence in metal-free organic phosphors","CrystEngComm","2025","27","18","2931","2936","10.1039/D4CE01323A","","","0.71073","MoKα","","0.1179","0.0844","","","0.2427","0.2665","","","","","","1.082","","","","has coordinates","300729","2025-07-06","15:11:39",""
"7250186","10.3584","0.0006","14.3225","0.0007","10.9878","0.0008","90","","109.787","0.007","90","","1533.88","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N O -","- C22 H14 N O -","- C88 H56 N4 O4 -","4","1","","Xiao, Hui; Ma, HuiLi; Wang, Jingyi; An, Zhongfu; Guo, Zhiyong","Crystallization-induced highly efficient phosphorescence in metal-free organic phosphors","CrystEngComm","2025","27","18","2931","2936","10.1039/D4CE01323A","","","0.71073","MoKα","","0.0895","0.0544","","","0.1144","0.1327","","","","","","1.045","","","","has coordinates","300729","2025-07-06","15:11:40",""
"7250196","9.6377","0.0003","15.5333","0.0004","18.4376","0.0005","76.307","0.001","88.371","0.001","82.631","0.001","2659.6","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H57 N7 O9 Zn2 -","- C62 H57 N7 O9 Zn2 -","- C124 H114 N14 O18 Zn4 -","2","1","","Gang, Ruo-Tong; Zhang, Wen-Jing; Yu, Hai-Jun; Li, Zhen-Hui; Li, Yi-Long; Wu, Xue-Ru; Chen, Ming-Guang; Gao, Shu-Man; Shao, Feng","Two zinc(ii)-based coordination polymers as luminescent sensors for detecting salicylaldehyde with high sensitivity and selectivity","CrystEngComm","2025","27","18","2944","2951","10.1039/D4CE01236D","","","0.71073","MoKα","","0.0964","0.0544","","","0.1187","0.1424","","","","","","1.01","","","","has coordinates","300730","2025-07-06","15:12:03",""
"7250197","10.1228","0.0005","11.5907","0.0005","13.8893","0.0007","111.631","0.002","94.164","0.002","101.933","0.002","1462.16","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N6 O4 Zn -","- C34 H24 N6 O4 Zn -","- C68 H48 N12 O8 Zn2 -","2","1","","Gang, Ruo-Tong; Zhang, Wen-Jing; Yu, Hai-Jun; Li, Zhen-Hui; Li, Yi-Long; Wu, Xue-Ru; Chen, Ming-Guang; Gao, Shu-Man; Shao, Feng","Two zinc(ii)-based coordination polymers as luminescent sensors for detecting salicylaldehyde with high sensitivity and selectivity","CrystEngComm","2025","27","18","2944","2951","10.1039/D4CE01236D","","","0.71073","MoKα","","0.0744","0.0502","","","0.1179","0.132","","","","","","1.034","","","","has coordinates","300730","2025-07-06","15:12:03",""
"7250200","10.5074","0.0011","12.4178","0.0013","12.4907","0.0013","78.142","0.002","66.982","0.002","78.702","0.002","1455.9","0.3","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H59 Ni3 O41.5 Rb6 -","- C30 H52 Ni3 O38 Rb6 -","- C30 H52 Ni3 O38 Rb6 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.028","0.021","","","0.0496","0.0517","","","","","","1.038","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250201","5.2628","0.0002","10.5543","0.0004","10.7212","0.0004","114.616","0.001","92.679","0.001","101.051","0.002","525.98","0.04","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Cs2 Ni O16 -","- C10 H24 Cs2 Ni O16 -","- C10 H24 Cs2 Ni O16 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.04","0.0318","","","0.0639","0.0673","","","","","","1.038","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250202","5.5034","0.0007","8.4085","0.0011","11.8303","0.0015","81.35","0.002","87.308","0.002","83.679","0.002","537.68","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H28 Na2 Ni O18 -","- C10 H28 Na2 Ni O18 -","- C10 H28 Na2 Ni O18 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.0406","0.0393","","","0.1086","0.1092","","","","","","1.168","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250203","10.2896","0.0018","12.302","0.002","12.719","0.002","75.425","0.003","66.665","0.002","78.791","0.003","1422.6","0.4","184","2","184.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 K6 Ni3 O42 -","- C30 H60 K6 Ni3 O42 -","- C30 H60 K6 Ni3 O42 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.0568","0.0423","","","0.0948","0.1012","","","","","","1.043","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250204","18.6216","0.0006","35.2831","0.0008","10.5028","0.0003","90","","120.91","0.003","90","","5920.6","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Ca N2 O10 -","- C46 H40 Ca N2 O10 -","- C184 H160 Ca4 N8 O40 -","4","0.5","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","0.7293","synchrotron","","0.1423","0.1034","","","0.2659","0.2924","","","","","","0.952","","","","has coordinates","300731","2025-07-06","15:12:27",""
"7250205","11.0429","0.0004","14.6332","0.0005","18.2349","0.0004","99.017","0.002","91.928","0.002","99.224","0.003","2867.36","0.16","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C114 H78 Ca5 O43.8 -","- C114 H78 Ca5 O43.8 -","- C114 H78 Ca5 O43.8 -","1","0.5","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","1.54184","CuKα","","0.0892","0.0749","","","0.2173","0.2319","","","","","","1.045","","","","has coordinates,has disorder","300731","2025-07-06","15:12:28",""
"7250206","6.8684","0.0002","13.8322","0.0004","14.4683","0.0005","105.538","0.002","95.126","0.002","101.433","0.002","1283.2","0.07","292","2","292.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 O10 S2 -","- C42 H36 O10 S2 -","- C42 H36 O10 S2 -","1","0.5","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","0.71073","MoKα","","0.0876","0.0724","","","0.2249","0.2456","","","","","","1.046","","","","has coordinates","300731","2025-07-06","15:12:38",""
"7250207","18.603","0.0006","19.2334","0.0007","20.9801","0.0007","66.031","0.004","67.392","0.003","85.309","0.003","6307.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H62 Ca5 O29 -","- C114 H62 Ca5 O29 -","- C228 H124 Ca10 O58 -","2","1","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","1.54184","CuKα","","0.1399","0.0902","","","0.2623","0.3028","","","","","","1.006","","","","has coordinates,has disorder","300731","2025-07-06","15:12:38",""
"7250208","7.0067","0.0009","11.6243","0.0015","17.481","0.002","100.627","0.005","97.557","0.005","98.458","0.005","1365.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H32 N6 O6.5 S -","- C26 H28 N6 O6 S -","- C52 H56 N12 O12 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","27","17","2720","2728","10.1039/D4CE01228C","","","0.71073","MoKα","","0.0927","0.0889","","","0.1985","0.2001","","","","","","1.296","","","","has coordinates,has disorder","300692","2025-07-06","14:58:49",""
"7250209","7.9585","0.0006","9.7595","0.0008","18.6559","0.0016","81.61","0.004","88.461","0.004","83.493","0.003","1424.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N5 O4 S -","- C27 H35 N5 O4 S -","- C54 H70 N10 O8 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","27","17","2720","2728","10.1039/D4CE01228C","","","0.71073","MoKα","","0.1098","0.0955","","","0.1957","0.2012","","","","","","1.177","","","","has coordinates,has disorder","300692","2025-07-06","14:58:49",""
"7250210","10.6139","0.0006","13.0164","0.0011","13.2023","0.0008","111.948","0.003","95.785","0.002","114.007","0.002","1475","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N6 O7 S -","- C29 H34 N6 O7 S -","- C58 H68 N12 O14 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","27","17","2720","2728","10.1039/D4CE01228C","","","0.71073","MoKα","","0.0925","0.0881","","","0.1976","0.2","","","","","","1.166","","","","has coordinates,has disorder","300692","2025-07-06","14:58:49",""
"7250211","11.81","0.12","4.94","0.08","17.74","0.13","90","","95.86","0.17","90","","1030","2","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","7_Cyano_L_Trp","7_Cyano_L_Trp","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","2","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","electron","0.0251","transmissionelectronmicroscope","","0.2544","0.1854","","","0.4603","0.5176","","","","","","1.185","","","","has coordinates","300697","2025-07-06","15:03:18",""
"7250212","18.6956","0.00008","18.6956","0.00008","5.95062","0.00004","90","","90","","90","","2079.89","0.019","223","","223","","","","","","","","","4","I 4","I 4","79","","","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C80 H88 N24 O16 -","8","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","","1.54184","CuKα","","0.024","0.0238","","","0.0618","0.0619","","","","","","1.089","","","","has coordinates","300697","2025-07-06","15:03:20",""
"7250213","9.02963","0.00016","5.82382","0.0001","9.7226","0.00017","90","","112.326","0.002","90","","472.955","0.016","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C20 H22 N6 O4 -","2","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","","1.54184","CuKα","","0.0726","0.0717","","","0.1823","0.1837","","","","","","1.031","","","","has coordinates","300697","2025-07-06","15:03:29",""
"7250214","9.4366","0.0001","5.7664","0.0001","19.631","0.0003","90","","101.21","0.001","90","","1047.84","0.03","223","2","223.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N5 O4 -","- C23 H23 N5 O4 -","- C46 H46 N10 O8 -","2","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","","1.54184","CuKα","","0.0404","0.0349","","","0.0887","0.0922","","","","","","1.06","","","","has coordinates","300697","2025-07-06","15:03:29",""
"7250216","32.084","0.0011","6.2079","0.0002","21.7596","0.0007","90","","106.709","0.001","90","","4151","0.2","102","2","102","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F3 I O5 S -","- C20 H12 F3 I O4 S -","- C160 H96 F24 I8 O32 S8 -","8","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","single crystal","1.54178","CuKα","","0.031","0.0284","","","0.074","0.0759","","","","","","1.063","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250217","4.812","0.0001","19.7752","0.0005","14.9145","0.0004","90","","98.519","0.001","90","","1403.58","0.06","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O Se -","- C19 H12 O Se -","- C76 H48 O4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","x-ray","1.54178","CuKα","","0.0249","0.0224","","","0.0559","0.0575","","","","","","1.051","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250218","10.16","0.005","15.349","0.007","13.056","0.006","90","","109.4","0.02","90","","1920.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F3 I O4 S -","- C20 H12 F3 I O4 S -","- C80 H48 F12 I4 O16 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","0.71073","MoKα","","0.0393","0.0335","","","0.0927","0.0955","","","","","","1.15","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250219","17.2909","0.0014","4.0044","0.0003","14.8721","0.0012","90","","105.375","0.0019","90","","992.89","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Br Se -","- C12 H7 Br Se -","- C48 H28 Br4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0286","0.0276","","","0.0904","0.0913","","","","","","1.086","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250220","4.7662","0.0003","19.7037","0.0011","14.7618","0.0008","90","","96.564","0.003","90","","1377.22","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O S -","- C19 H12 O S -","- C76 H48 O4 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0745","0.0511","","","0.1168","0.14","","","","","","1.058","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250221","3.9473","0.0002","29.7393","0.0016","11.4521","0.0006","90","","91.572","0.003","90","","1343.86","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O S -","- C19 H12 O S -","- C76 H48 O4 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0508","0.0377","","","0.0871","0.0986","","","","","","1.055","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250222","3.9799","0.0004","29.881","0.003","11.4398","0.0011","90","","92.136","0.002","90","","1359.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O Se -","- C19 H12 O Se -","- C76 H48 O4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0277","0.0268","","","0.0737","0.0745","","","","","","1.061","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250223","19.67","0.002","8.7121","0.0009","16.4513","0.0017","90","","91.509","0.002","90","","2818.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 O Te -","- C19 H12 O Te -","- C152 H96 O8 Te8 -","8","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0274","0.0271","","","0.0776","0.0778","","","","","","1.092","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250224","10.6483","0.0011","20.468","0.002","13.8551","0.0013","90","","110.162","0.003","90","","2834.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O Te -","- C19 H12 O Te -","- C152 H96 O8 Te8 -","8","2","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","0.71073","MoKα","","0.0273","0.0245","","","0.0589","0.06","","","","","","1.156","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250229","22.6222","0.0016","5.514","0.0004","23.3117","0.0017","90","","90","","90","","2907.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C112 H72 I16 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0411","0.029","","","0.0495","0.0559","","","","","","1.091","","","","has coordinates","300720","2025-07-06","15:09:56",""
"7250230","7.9279","0.0007","9.8606","0.0009","10.2238","0.0008","103.116","0.002","111.147","0.002","98.956","0.003","700.7","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","1","0.5","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.026","0.0205","","","0.0431","0.0464","","","","","","1.059","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250231","11.111","0.003","11.12","0.004","13.583","0.004","75.672","0.009","74.72","0.008","83.333","0.011","1566.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C80 H68 N8 O4 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0685","0.0587","","","0.1306","0.1356","","","","","","1.124","","","","has coordinates,has disorder","300720","2025-07-06","15:09:57",""
"7250232","11.442","0.0009","11.5769","0.0009","14.7255","0.0012","105.644","0.003","95.194","0.003","90.202","0.003","1869.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C76 H84 I4 N12 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0886","0.0626","","","0.1676","0.1932","","","","","","1.035","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250233","10.325","0.004","11.902","0.005","16.282","0.006","83.689","0.012","72.592","0.013","77.625","0.012","1862.6","1.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C76 H84 I4 N12 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0726","0.0478","","","0.1166","0.1345","","","","","","1.055","","","","has coordinates,has disorder","300720","2025-07-06","15:09:57",""
"7250234","11.8378","0.0018","7.6253","0.0013","14.277","0.003","90","","96.549","0.006","90","","1280.3","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C64 H52 N8 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0557","0.0413","","","0.0958","0.1028","","","","","","1.059","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250235","7.7573","0.0005","17.2615","0.0009","19.0749","0.001","90","","90","","90","","2554.2","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C128 H104 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0639","0.0431","","","0.0891","0.099","","","","","","1.04","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250236","9.3691","0.0013","10.7182","0.0015","29.938","0.004","90","","94.932","0.004","90","","2995.2","0.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C160 H104 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1435","0.0745","","","0.1453","0.1729","","","","","","1.01","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250237","10.3829","0.0007","10.67","0.0007","13.3452","0.0008","100.606","0.002","94.261","0.002","113.76","0.002","1311.79","0.15","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C64 H52 N8 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0887","0.0636","","","0.1493","0.1629","","","","","","1.018","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250238","26.8941","0.0016","13.4775","0.0008","18.9193","0.0012","90","","121.399","0.002","90","","5853.4","0.6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C320 H208 N32 -","8","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0589","0.0448","","","0.1076","0.1158","","","","","","1.038","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250239","9.9995","0.0009","21.219","0.002","15.4151","0.0014","90","","90","","90","","3270.8","0.5","298","2","298","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C160 H136 N16 O8 -","4","0.5","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.066","0.0557","","","0.1464","0.1536","","","","","","1.053","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250240","8.9156","0.0012","9.8977","0.0014","12.03","0.0017","78.532","0.004","88.488","0.004","83.005","0.004","1032.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N5 O2 -","- C24 H19 N5 O2 -","- C48 H38 N10 O4 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1038","0.0473","","","0.1145","0.1361","","","","","","1.027","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250241","7.9713","0.0007","15.8311","0.0014","29.59","0.002","90","","95.268","0.003","90","","3718.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C152 H168 I8 N24 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1161","0.0651","","","0.1734","0.2245","","","","","","1.032","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250242","10.5848","0.0016","26.074","0.004","11.1341","0.0019","90","","94.403","0.005","90","","3063.8","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C152 H120 N16 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1027","0.0578","","","0.1225","0.1435","","","","","","1.064","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250243","28.913","0.004","4.8255","0.0005","14.858","0.002","90","","104.627","0.005","90","","2005.8","0.4","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N5 O2 -","- C24 H19 N5 O2 -","- C96 H76 N20 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.084","0.0542","","","0.123","0.1381","","","","","","1.035","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250244","15.271","0.002","9.8156","0.0013","20.758","0.003","90","","98.675","0.006","90","","3075.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C152 H120 N16 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1227","0.0529","","","0.1288","0.1407","","","","","","1.069","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250245","18.426","0.007","14.516","0.006","24.976","0.011","90","","90","","90","","6680","5","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C320 H272 N32 O16 -","8","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0842","0.0551","","","0.1265","0.1417","","","","","","1.05","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250246","14.9159","0.0012","18.4135","0.0009","22.7514","0.0013","90","","90","","90","","6248.8","0.7","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C20 H35 Co N10 O12 S4 -","- C20 H35 Co N10 O12 S4 -","- C160 H280 Co8 N80 O96 S32 -","8","0.25","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0501","0.0372","","","0.0992","0.1049","","","","","","1","","","","has coordinates,has disorder","300696","2025-07-06","15:03:07",""
"7250247","7.4363","0.0006","8.2733","0.0006","11.5486","0.0014","110.849","0.009","94.899","0.008","90.864","0.006","660.76","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H32 Cl Co N10 O6 S2 -","- C14 H32 Cl Co N10 O6 S2 -","- C14 H32 Cl Co N10 O6 S2 -","1","0.5","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0453","0.0353","","","0.0899","0.0977","","","","","","1.003","","","","has coordinates","300696","2025-07-06","15:03:09",""
"7250248","14.3265","0.0005","14.3265","0.0005","24.7933","0.0016","90","","90","","90","","5088.8","0.4","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C14 H26 Cl Co K2 N6 O10 S2 -","- C14 H26 Cl Co K2 N6 O10 S2 -","- C112 H208 Cl8 Co8 K16 N48 O80 S16 -","8","0.5","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0621","0.0435","","","0.1095","0.12","","","","","","1.007","","","","has coordinates","300696","2025-07-06","15:03:09",""
"7250249","7.4383","0.0005","12.0736","0.0009","19.2979","0.0012","100.1","0.006","98.038","0.006","91.656","0.006","1686.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H53 Cl2 Co2 N12 O16 S2 -","- C7 H52.932 Cl2 Co2 N12 O16 S2 -","- C14 H105.864 Cl4 Co4 N24 O32 S4 -","2","1","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1016","0.0579","","","0.1312","0.1598","","","","","","0.851","","","","has coordinates,has disorder","300696","2025-07-06","15:03:09",""
"7250250","25.0699","0.001","7.2512","0.0004","10.8265","0.0006","90","","90","","90","","1968.12","0.17","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C7 H24 Cl Co N6 O9 S -","- C7 H24 Cl Co N6 O8.999 S -","- C28 H96 Cl4 Co4 N24 O35.996 S4 -","4","0.5","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0584","0.0485","","","0.1471","0.1559","","","","","","1.026","","","","has coordinates,has disorder","300696","2025-07-06","15:03:09",""
"7250251","14.489","0.003","6.871","0.001","17.692","0.003","90","","97.903","0.017","90","","1744.6","0.5","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C7 H22 Cl2 Co N6 Na O5.69 S -","- C7 H22 Cl2 Co N6 Na O5.688 S -","- C28 H88 Cl8 Co4 N24 Na4 O22.752 S4 -","4","1","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1081","0.0528","","","0.0847","0.0902","","","","","","1.01","","","","has coordinates,has disorder","300696","2025-07-06","15:03:09",""
"7250252","12.9654","0.0005","13.1933","0.0006","16.5514","0.0009","83.432","0.004","72.016","0.004","68.761","0.004","2510","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Co N14 O14 S2 -","- C36 H46 Co N14 O14.001 S2 -","- C72 H92 Co2 N28 O28.002 S4 -","2","1","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1","0.0648","","","0.1764","0.2021","","","","","","1.001","","","","has coordinates","300696","2025-07-06","15:03:09",""
"7250253","8.6758","0.0004","15.7644","0.0006","10.951","0.0005","90","","96.07","0.002","90","","1489.36","0.11","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O9 -","- C12 H15 N3 O9 -","- C48 H60 N12 O36 -","4","1","","Shukla, Vibhav; Kumar, Astakala Anil; Haq, Nazrul; Tothadi, Sinu; Siddiqui, Kafeel Ahmad","A dual-function crystalline sensor: tris(2-carboxyethyl) isocyanurate for ultra-sensitive detection and sustainable degradation of tetracycline antibiotics","CrystEngComm","2025","27","20","3326","3344","10.1039/D5CE00235D","","","0.71073","MoKα","","0.0633","0.0457","","","0.1197","0.137","","","","","","1.061","","","","has coordinates,has disorder","300719","2025-07-06","15:09:31",""
"7250254","14.1583","0.0004","14.4657","0.0004","14.2413","0.0003","90","","90","","90","","2916.76","0.13","298","","298","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H18 I3 N4 P -","- C6 H18 I3 N4 P -","- C48 H144 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0177","0.017","","","0.0436","0.0439","","","","","","1.136","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250255","14.2452","0.0005","14.5204","0.0006","14.3176","0.0005","90","","90","","90","","2961.54","0.19","410","","410","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C5.71 H16.54 I3 N4 P -","- C5.7 H16.54 I3 N4 P -","- C45.6 H132.32 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0356","0.0339","","","0.0937","0.0953","","","","","","1.089","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250256","14.1395","0.0005","14.4681","0.0005","14.2255","0.0004","90","","90","","90","","2910.13","0.17","253","","253","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H18 I3 N4 P -","- C6 H18 I3 N4 P -","- C48 H144 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0224","0.0211","","","0.0522","0.0527","","","","","","1.092","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250257","7.0146","0.0004","7.0146","0.0004","7.0146","0.0004","90","","90","","90","","345.15","0.03","415","","415","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C14 Br3 N -","- C14 Br3 N -","- C14 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.1203","0.0729","","","0.2556","0.2999","","","","","","1.101","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250258","6.9497","0.0009","6.9497","0.0009","6.9497","0.0009","90","","90","","90","","335.66","0.08","391","","391","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.6 Br3 N -","- C12.6 Br3 N -","- C12.6 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0766","0.0492","","","0.12","0.1308","","","","","","1.088","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250259","7.0028","0.0004","7.0028","0.0004","7.0028","0.0004","90","","90","","90","","343.41","0.03","410","","410","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.3 Br3 N -","- C12.28 Br3 N -","- C12.28 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0717","0.062","","","0.1267","0.1313","","","","","","1.437","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250260","10.4847","0.0003","10.4847","0.0003","14.8469","0.0007","90","","90","","90","","1632.1","0.1","391","","391","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C6 H16 B3 F12 N3.9 P1.1 -","- C6 H16 B3 F12 N3.902 P1.098 -","- C24 H64 B12 F48 N15.608 P4.392 -","4","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0796","0.0638","","","0.199","0.222","","","","","","1.093","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250261","13.7974","0.0004","9.9483","0.0003","9.661","0.0003","90","","90","","90","","1326.08","0.07","322","","322","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0505","0.0491","","","0.1299","0.131","","","","","","1.051","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250262","13.7604","0.0003","9.9259","0.0003","9.6119","0.0003","90","","90","","90","","1312.84","0.06","253","","253","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0237","0.0224","","","0.0509","0.0512","","","","","","1.117","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250263","13.7833","0.0004","9.9419","0.0003","9.6453","0.0003","90","","90","","90","","1321.72","0.07","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0492","0.0481","","","0.1258","0.1268","","","","","","1.069","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250264","6.9822","0.0004","6.9822","0.0004","6.9822","0.0004","90","","90","","90","","340.39","0.03","401","","401","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.46 Br3 N -","- C12.48 Br3 N -","- C12.48 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0657","0.0404","","","0.1199","0.1422","","","","","","1.07","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250265","13.8322","0.0008","9.9354","0.0007","9.7055","0.0008","90","","90","","90","","1333.81","0.16","382","","382","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.1106","0.087","","","0.1889","0.2076","","","","","","1.023","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250266","13.818","0.0005","9.9528","0.0004","9.6881","0.0004","90","","90","","90","","1332.38","0.09","354","","354","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0525","0.0499","","","0.1349","0.1367","","","","","","1.047","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250267","13.8355","0.0005","9.9594","0.0004","9.7006","0.0004","90","","90","","90","","1336.68","0.09","364","","364","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0513","0.0451","","","0.1106","0.1137","","","","","","1.069","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250268","13.8098","0.0004","9.9529","0.0003","9.6797","0.0004","90","","90","","90","","1330.45","0.08","345","","345","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0522","0.0503","","","0.1344","0.1363","","","","","","1.053","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250269","13.8318","0.0006","9.9497","0.0004","9.7003","0.0006","90","","90","","90","","1334.98","0.11","373","","373","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0681","0.0582","","","0.1283","0.1331","","","","","","1.153","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250270","10.3573","0.0001","10.3573","0.0001","14.6992","0.0003","90","","90","","90","","1576.84","0.04","233","","233","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C8 H24.02 B4 F16 N5.34 P1.32 -","- C8 H24.0213 B4 F16 N5.344 P1.32267 -","- C24 H72.064 B12 F48 N16.032 P3.968 -","3","0.375","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0622","0.0588","","","0.1593","0.1635","","","","","","1.07","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250274","16.533","0.003","5.8462","0.0009","14.439","0.003","90","","102.45","0.006","90","","1362.8","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Panova, Elizaveta V.; Voronina, Julia K.; Azizova, Asmet N.; Tutar, Ömer Faruk; Mahmoudi, Ghodrat; Safin, Damir A.","Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations","CrystEngComm","2025","27","21","3502","3516","10.1039/D5CE00191A","","","0.71073","MoKα","","0.1034","0.061","","","0.127","0.1505","","","","","","1.024","","","","has coordinates","300743","2025-07-06","15:16:12",""
"7250275","6.1678","0.0004","14.2905","0.001","31.0405","0.0019","90","","90","","90","","2735.9","0.3","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","1","","Panova, Elizaveta V.; Voronina, Julia K.; Azizova, Asmet N.; Tutar, Ömer Faruk; Mahmoudi, Ghodrat; Safin, Damir A.","Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations","CrystEngComm","2025","27","21","3502","3516","10.1039/D5CE00191A","","","0.71073","MoKα","","0.0741","0.0495","","","0.1099","0.1302","","","","","","1.047","","","","has coordinates","300743","2025-07-06","15:16:12",""
"7250276","34.6511","0.0007","20.6506","0.0005","24.2274","0.0006","90","","100.104","0.002","90","","17067.4","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C318 H432 Cl2 Mn6 N12 Na12 O44 S14 -","- C314 H426 Cl2 Mn6 N10 Na12 O44 S14 -","- C628 H852 Cl4 Mn12 N20 Na24 O88 S28 -","2","0.25","","Wilson, Lucinda R. B.; Dalgarno, Scott J.; Brechin, Euan K.","Calix[4]arene-supported trigonal and square prisms of Mn and Na","CrystEngComm","2025","27","19","3041","3047","10.1039/D5CE00285K","","","1.54178","CuKα","","0.1326","0.1094","","","0.2704","0.2844","","","","","","1.023","","","","has coordinates,has disorder","300700","2025-07-06","15:04:06",""
"7250277","17.5535","0.0004","18.1099","0.0004","20.511","0.0005","91.09","0.002","110.519","0.001","109.895","0.001","5670.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","1","0.5","","Wilson, Lucinda R. B.; Dalgarno, Scott J.; Brechin, Euan K.","Calix[4]arene-supported trigonal and square prisms of Mn and Na","CrystEngComm","2025","27","19","3041","3047","10.1039/D5CE00285K","","","1.54178","CuKα","","0.1387","0.1178","","","0.3792","0.4061","","","","","","1.661","","","","has coordinates,has disorder","300700","2025-07-06","15:04:06",""
"7250279","6.3479","0.0004","16.2352","0.0008","6.8246","0.0003","90","","95.902","0.005","90","","699.61","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs Ga Ge3 S8 -","- Cs Ga Ge3 S8 -","- Cs2 Ga2 Ge6 S16 -","2","0.5","","Wang, Yue; Li, Xuezhong; Lou, Zihao; Shi, Yongfang","Cationic substitution engineering induces a new quaternary chalcogenide in the A–MIIIA–MIVA–Q system for optical crystal applications","CrystEngComm","2025","27","20","3378","3385","10.1039/D5CE00016E","","x-ray","0.71073","MoKα","","0.0643","0.0484","","","0.1346","0.1489","","","","","","1.049","","","","has coordinates,has disorder","300714","2025-07-06","15:08:12",""
"7250287","10.7","0.002","20.3","0.004","21.11","0.004","90","","95.6","0.03","90","","4563.4","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl F12 N6 O8 Sm -","- C36 H28 Cl F12 N6 O8 Sm -","- C144 H112 Cl4 F48 N24 O32 Sm4 -","4","1","","Al Riyami, Najat A.; Husband, John S.; Al Shihhi, Amira; Sivakumar, Nallusamy; Al-Rasbi, Nawal K.","Self-assembly of Sm(iii) Schiff base complexes: crystal structure, luminescence and antibacterial inhibition activity","CrystEngComm","2025","27","19","3061","3074","10.1039/D4CE00843J","","","0.71073","MoKα","","0.172","0.0737","","","0.1749","0.2192","","","","","","0.951","","","","has coordinates","300698","2025-07-06","15:03:39",""
"7250288","11.659","0.013","14.662","0.014","17.291","0.015","66.38","0.07","81.58","0.08","78.42","0.08","2646","5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 F6 N3 O11 Sm -","- C52 H46 F6 N3 O11 Sm -","- C104 H92 F12 N6 O22 Sm2 -","2","1","","Al Riyami, Najat A.; Husband, John S.; Al Shihhi, Amira; Sivakumar, Nallusamy; Al-Rasbi, Nawal K.","Self-assembly of Sm(iii) Schiff base complexes: crystal structure, luminescence and antibacterial inhibition activity","CrystEngComm","2025","27","19","3061","3074","10.1039/D4CE00843J","","","0.71073","MoKα","","0.0948","0.0855","","","0.225","0.2375","","","","","","1.04","","","","has coordinates","300698","2025-07-06","15:03:39",""
"7250291","10.8812","0.0001","12.4352","0.0001","20.2017","0.0002","96.673","0.001","94.802","0.001","90.381","0.001","2705.07","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H34 Br4 Cd2 N6 O11 -","- C48 H34 Br4 Cd2 N6 O12 -","- C96 H68 Br8 Cd4 N12 O24 -","2","1","","Song, Jian-Fei; Chen, Jia-Li; Guo, Gui-Quan; Zhu, Hong-Yan; Zhou, Si-Ying; Zheng, Xin-Rong; Zhang, Xiu-Qing","A Cd-based complex as a multifunctional fluorescent probe for the detection of Fe3+, ceftriaxone sodium (CRO) and l-aspartic acid (l-Asp)","CrystEngComm","2025","27","21","3537","3544","10.1039/D4CE01235F","","x-ray","1.54184","CuKα","","0.0635","0.0592","","","0.1706","0.1758","","","","","","1.072","","","","has coordinates","300738","2025-07-06","15:14:52",""
"7250292","7.3167","0.0006","12.0459","0.001","18.1855","0.0015","90","","90","","90","","1602.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","x-ray","0.71073","MoKα","","0.0864","0.0671","","","0.1591","0.1833","","","","","","1.12","","","","has coordinates","300737","2025-07-06","15:14:36",""
"7250293","7.2843","0.0006","12.0048","0.0008","18.0766","0.0012","90","","90","","90","","1580.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","x-ray","0.71073","MoKα","","0.0356","0.0303","","","0.0876","0.1039","","","","","","0.804","","","","has coordinates","300737","2025-07-06","15:14:37",""
"7250294","12.041","0.004","7.3141","0.0012","18.158","0.006","90","","90","","90","","1599.2","0.8","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","","0.71073","MoKα","","0.1385","0.0572","","","0.1279","0.1737","","","","","","0.857","","","","has coordinates","300737","2025-07-06","15:14:37",""
"7250295","7.2691","0.0014","11.947","0.002","17.987","0.003","90","","90","","90","","1562.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","x-ray","0.71073","MoKα","","0.0555","0.04","","","0.104","0.1258","","","","","","0.868","","","","has coordinates","300737","2025-07-06","15:14:37",""
"7250300","26.336","0.0019","9.3587","0.0005","15.4039","0.0008","90","","90","","90","","3796.6","0.4","143.15","","143.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H38 N10 O4 -","- C38 H38 N10 O4 -","- C152 H152 N40 O16 -","4","1","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0983","0.053","","","0.1135","0.1392","","","","","","1.019","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250301","8.2859","0.0007","8.7094","0.0009","11.086","0.0009","102.35","0.008","100.096","0.007","105.742","0.008","728.67","0.13","293.15","","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N10 -","- C30 H22 N10 -","- C30 H22 N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.0992","0.0619","","","0.1548","0.1805","","","","","","1.05","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250302","11.1575","0.0005","8.9502","0.0004","16.065","0.0008","90","","90.969","0.004","90","","1604.05","0.13","143.15","","143.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N12 -","- C34 H28 N12 -","- C68 H56 N24 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0624","0.0441","","","0.1089","0.1184","","","","","","1.074","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250303","11.6712","0.0002","18.7282","0.0003","24.0317","0.0004","90","","103.377","0.002","90","","5110.35","0.15","113.15","","113.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 N10 -","- C37 H30 N10 -","- C222 H180 N60 -","6","1.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0625","0.0502","","","0.1309","0.1382","","","","","","1.021","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250304","14.1431","0.0005","9.8855","0.0003","22.1824","0.0012","90","","106.036","0.004","90","","2980.7","0.2","123","","123.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 Cl2 N10 -","- C31 H24 Cl2 N10 -","- C124 H96 Cl8 N40 -","4","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0634","0.0492","","","0.1203","0.1277","","","","","","1.021","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250305","9.6542","0.0006","11.4847","0.001","11.5991","0.0009","112.246","0.008","95.182","0.006","103.22","0.007","1136.24","0.18","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 N10 O2 -","- C54 H42 N10 O2 -","- C54 H42 N10 O2 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.2316","0.1422","","","0.2521","0.2901","","","","","","1.194","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250306","12.2866","0.0004","8.6175","0.0003","16.7215","0.0005","90","","90.982","0.003","90","","1770.21","0.1","200.15","","200.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl4 N10 -","- C34 H30 Cl4 N10 -","- C68 H60 Cl8 N20 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0479","0.0412","","","0.1034","0.1073","","","","","","1.04","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250307","8.175","0.0004","9.1048","0.0005","11.3499","0.0006","81.725","0.004","77.867","0.004","76.129","0.004","797.93","0.07","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 I N10 -","- C36 H27 I N10 -","- C36 H27 I N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0729","0.0517","","","0.129","0.1415","","","","","","1.019","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250308","11.7987","0.0004","19.0987","0.0004","23.8997","0.0006","90","","103.244","0.003","90","","5242.3","0.3","143.15","","143.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl2 N10 -","- C36 H26 Cl2 N10 -","- C216 H156 Cl12 N60 -","6","1.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.1134","0.0775","","","0.2194","0.2429","","","","","","1.05","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250309","9.3409","0.0008","12.7905","0.0011","16.1963","0.0014","70.868","0.008","83.072","0.007","82.513","0.007","1806.3","0.3","143.19","0.13","143.15","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H32 N12 -","- C40 H32 N12 -","- C80 H64 N24 -","2","1","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.1146","0.0787","","","0.2206","0.2491","","","","","","1.072","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250310","9.0161","0.0004","12.198","0.0006","16.1054","0.0007","90","","99.256","0.004","90","","1748.18","0.14","143.15","","143.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N10 O2 -","- C38 H38 N10 O2 -","- C76 H76 N20 O4 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0985","0.0591","","","0.1201","0.1343","","","","","","1.008","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250311","9.0545","0.0002","12.3215","0.0003","16.3699","0.0003","90","","92.908","0.002","90","","1823.96","0.07","200","0.1","200.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N12 O2 -","- C36 H36 N12 O2 -","- C72 H72 N24 O4 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.0606","0.0529","","","0.1458","0.1565","","","","","","1.029","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250312","10.4303","0.0007","11.1097","0.001","11.7866","0.001","65.92","0.009","69.939","0.007","85.587","0.007","1168.1","0.2","200","0.1","200.15","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H46 N10 -","- C54 H46 N10 -","- C54 H46 N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.1042","0.0614","","","0.1388","0.1704","","","","","","0.99","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250313","10.4879","0.0005","10.8573","0.0005","11.2117","0.0005","68.012","0.004","68.117","0.004","86.081","0.004","1094.75","0.1","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 N10 S4 -","- C46 H38 N10 S4 -","- C46 H38 N10 S4 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.1227","0.0997","","","0.2861","0.314","","","","","","1.077","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250314","8.7836","0.0004","12.5914","0.0005","15.6251","0.0009","90","","96.763","0.005","90","","1716.08","0.14","143.15","","143.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N10 O2 -","- C36 H34 N10 O2 -","- C72 H68 N20 O4 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0931","0.0623","","","0.1608","0.1837","","","","","","1.041","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250315","8.1115","0.0004","8.9633","0.0006","11.383","0.0007","82.417","0.005","78.205","0.005","77.833","0.005","788.51","0.08","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 Cl N10 -","- C36 H27 Cl N10 -","- C36 H27 Cl N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.1132","0.0864","","","0.2622","0.2888","","","","","","1.08","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250316","8.1539","0.0006","8.5097","0.0005","10.9361","0.0011","101.144","0.007","101.548","0.007","102.714","0.006","702.52","0.1","143.15","","143.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N10 -","- C30 H22 N10 -","- C30 H22 N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0954","0.0475","","","0.1097","0.1275","","","","","","1.019","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250317","6.3892","0.0004","19.6003","0.0015","10.357","0.0006","90","","90","","90","","1297.01","0.15","293","2","293","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- Al3.43 Na8.72 Ni2.58 O32 P8 -","- Al3.42 Na8.72 Ni2.58 O32 P8 -","- Al6.84 Na17.44 Ni5.16 O64 P16 -","2","0.125","","Yakubovich, Olga; Kiriukhina, Galina; Manokhina, Elizaveta; Volkov, Anatoly; Dimitrova, Olga; Shvanskaya, Larisa; Vasiliev, Alexander","Na4.3Ni1.3Al1.7(PO4)4 structure transformation from stuffed α-CrPO4 type driven by the incorporation of Na: magnetism and ionic migration","CrystEngComm","2025","27","21","3576","3583","10.1039/D5CE00268K","","","0.71073","MoKα","","0.0632","0.0551","","","0.1182","0.121","","","","","","1.23","","","","has coordinates","300742","2025-07-06","15:16:05",""
"7250320","18.6884","0.0005","13.4365","0.0004","14.1149","0.0004","90","","95.665","0.003","90","","3527.04","0.17","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl5 In N2 O2 -","- C12 H16 Cl5 In N2 O2 -","- C96 H128 Cl40 In8 N16 O16 -","8","1","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0183","0.0169","","","0.0412","0.0418","","","","","","1.0446","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250321","18.4183","0.0011","12.9016","0.0008","13.7365","0.0009","90","","93.937","0.005","90","","3256.4","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Bi2 Cl10 N4 -","- C24 H24 Bi2 Cl10 N4 -","- C96 H96 Bi8 Cl40 N16 -","4","0.5","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0234","0.021","","","0.0503","0.0512","","","","","","1.0455","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250322","13.3333","0.0005","13.3333","0.0005","8.8676","0.0006","90","","90","","90","","1576.45","0.14","120","","120","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C24 H32 Cl7 In N4 O4 -","- C24 H32 Cl7 In N4 O4 -","- C48 H64 Cl14 In2 N8 O8 -","2","0.25","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0283","0.0268","","","0.0736","0.0743","","","","","","1.0207","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250323","7.1093","0.0003","14.9953","0.0005","32.2219","0.0013","90","","91.529","0.003","90","","3433.8","0.2","120","","120","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H12 Cl6 N2 Sn -","- C12 H12 Cl6 N2 Sn -","- C96 H96 Cl48 N16 Sn8 -","8","1","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0459","0.0357","","","0.0656","0.0679","","","","","","1.0602","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250324","11.2944","0.0005","37.3407","0.0014","15.8762","0.0007","90","","90","","90","","6695.6","0.5","120","","120","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H100 Cl40 N16 O Sb8 -","- C96 H100 Cl40 N16 O Sb8 -","- C192 H200 Cl80 N32 O2 Sb16 -","2","0.25","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0212","0.0204","","","0.0486","0.049","","","","","","1.0347","","","","has coordinates,has disorder","300695","2025-07-06","15:02:45",""
"7250325","7.517","0.0001","12.2366","0.0002","13.2587","0.0002","115.091","0.002","103.453","0.001","90.178","0.001","1066.99","0.03","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Ag F6 N6 O2 P -","- C16 H18 Ag F6 N6 O2 P -","- C32 H36 Ag2 F12 N12 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0231","0.0226","","","0.0584","0.0587","","","","","","1.056","","","","has coordinates,has disorder","300715","2025-07-06","15:08:26",""
"7250326","8.8771","0.0002","10.4273","0.0003","13.5713","0.0004","83.66","0.002","72.55","0.002","84.305","0.002","1188.18","0.06","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag F6 N7 O2 P -","- C18 H21 Ag F6 N7 O2 P -","- C36 H42 Ag2 F12 N14 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0358","0.0338","","","0.1028","0.1051","","","","","","1.106","","","","has coordinates,has disorder","300715","2025-07-06","15:08:27",""
"7250327","8.5896","0.0001","23.3498","0.0002","9.9286","0.0001","90","","98.579","0.001","90","","1969.05","0.04","119.95","0.16","119.95","0.16","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Ag F6 N4 O3 P -","- C15 H18 Ag F6 N4 O3 P -","- C60 H72 Ag4 F24 N16 O12 P4 -","4","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0293","0.0277","","","0.073","0.0741","","","","","","1.045","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250328","10.9019","0.0001","12.7011","0.0002","12.2951","0.0002","90","","90.935","0.001","90","","1702.23","0.04","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F6 I N4 O2 P -","- C12 H12 F6 I N4 O2 P -","- C48 H48 F24 I4 N16 O8 P4 -","4","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0311","0.0305","","","0.079","0.0794","","","","","","1.091","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250329","9.5048","0.0002","10.1625","0.0002","13.6806","0.0002","80.767","0.002","73.135","0.002","85.06","0.002","1247.13","0.04","119.98","0.13","119.98","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 F6 I N7 O2 P -","- C18 H21 F6 I N7 O2 P -","- C36 H42 F12 I2 N14 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0549","0.0512","","","0.1474","0.1525","","","","","","1.094","","","","has coordinates,has disorder","300715","2025-07-06","15:08:27",""
"7250330","7.8185","0.0001","8.9131","0.0001","14.4394","0.0003","91.167","0.001","96.566","0.001","99.162","0.001","986.12","0.03","119.81","0.1","119.81","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 F6 I N12 O6 P -","- C36 H36 F6 I N12 O6 P -","- C36 H36 F6 I N12 O6 P -","1","0.5","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0181","0.0181","","","0.0482","0.0482","","","","","","1.044","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250331","9.6283","0.0003","10.63453","0.00018","11.1454","0.0002","70.4689","0.0018","67.86","0.002","80.4421","0.0018","995.19","0.04","119.6","0.6","119.6","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C14 H15 F6 I N5 O2 P -","- C14 H15 F6 I N5 O2 P -","- C28 H30 F12 I2 N10 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0198","0.0191","","","0.0505","0.0508","","","","","","1.071","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250332","13.7177","0.0002","11.8709","0.0002","10.3823","0.0002","90","","92.41","0.002","90","","1689.17","0.05","120.02","0.1","120.02","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 F6 I N4 O2 P -","- C12 H12 F6 I N4 O2 P -","- C48 H48 F24 I4 N16 O8 P4 -","4","0.5","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0174","0.017","","","0.0425","0.0426","","","","","","1.112","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250333","9.4467","0.0002","10.3832","0.0002","11.175","0.0002","73.189","0.002","88.64","0.001","88.125","0.002","1048.6","0.04","119.99","0.13","119.99","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 F6 I N4 O3 P -","- C15 H18 F6 I N4 O3 P -","- C30 H36 F12 I2 N8 O6 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.025","0.0234","","","0.062","0.0633","","","","","","1.076","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250334","7.1197","0.0004","10.6071","0.0005","14.9177","0.0008","101.982","0.004","103.673","0.005","90.888","0.004","1068.33","0.1","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C12.65 H14.6 F6 I N4 O2.65 P -","- C12.65 H14.6 F6 I N4 O2.65 P -","- C25.3 H29.2 F12 I2 N8 O5.3 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0749","0.0645","","","0.1661","0.1719","","","","","","1.057","","","","has coordinates,has disorder","300715","2025-07-06","15:08:27",""
"7250335","8.8102","0.0007","15.3893","0.0011","15.4064","0.0012","99.086","0.002","102.942","0.002","101.262","0.002","1951.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine3-methylcyclohexanone clathrate","","- C52 H50 N2 O -","- C52 H50 N2 O -","- C104 H100 N4 O2 -","2","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.1305","0.0621","","","0.1246","0.1515","","","","","","1.02","","","","has coordinates,has disorder","300717","2025-07-06","15:09:11",""
"7250336","8.8224","0.0006","15.4017","0.0011","15.5782","0.0011","98.682","0.002","104.994","0.002","102.791","0.002","1944.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine 4-methylcyclohexanone clathrate","","- C52 H50 N2 O -","- C52 H50 N2 O -","- C104 H100 N4 O2 -","2","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.0679","0.0537","","","0.1114","0.1173","","","","","","1.088","","","","has coordinates","300717","2025-07-06","15:09:12",""
"7250337","8.7792","0.0013","15.35","0.002","15.553","0.002","98.013","0.005","105.903","0.005","101.393","0.005","1933.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine 2-methylcyclohexanone clathrate","","- C52 H50 N2 O -","- C52 H50 N2 O -","- C104 H100 N4 O2 -","2","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.1884","0.1641","","","0.2969","0.308","","","","","","1.226","","","","has coordinates,has disorder","300717","2025-07-06","15:09:12",""
"7250338","9.2379","0.0005","9.5888","0.0005","12.5881","0.0007","93.28","0.002","101.236","0.002","115.915","0.0019","970.82","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(9-phenyl-9-thioxanthenyl)-butane-1,4-diamine","","- C49 H48 N2 O S2 -","- C49 H48 N2 O S2 -","- C49 H48 N2 O S2 -","1","0.5","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.082","0.0667","","","0.1439","0.1558","","","","","","1.188","","","","has coordinates,has disorder","300717","2025-07-06","15:09:12",""
"7250339","15.1599","0.001","11.4773","0.0006","21.8168","0.0014","90","","90","","90","","3796","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine cyclohexanone clathrate","","- C51 H48 N2 O -","- C51 H48 N2 O -","- C204 H192 N8 O4 -","4","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.0579","0.054","","","0.135","0.1379","","","","","","1.053","","","","has coordinates","300717","2025-07-06","15:09:12",""
"7250345","8.9399","0.0008","10.9873","0.0009","22.232","0.0017","85.466","0.003","79.88","0.004","72.11","0.004","2045.1","0.3","119.95","","119.95","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H27 Br2 Co F12 N6 P2 -","- C42 H27 Br2 Co F12 N6 P2 -","- C84 H54 Br4 Co2 F24 N12 P4 -","2","1","","Huang, Long; Zhang, Kun-Hua; Sun, Ao-Na; Zhao, Bingshan; Shi, Le; Yang, Jiong; Shao, Dong","A cobalt(ii)-terpyridine complex showing field-induced slow magnetic relaxation behavior via reverse spin-crossover","CrystEngComm","2025","27","21","3545","3551","10.1039/D5CE00223K","","","0.71073","MoKα","","0.1225","0.0551","","","0.1033","0.1317","","","","","","1.018","","","","has coordinates","300739","2025-07-06","15:15:12",""
"7250346","9.1562","0.0017","13.07","0.002","19.832","0.004","97.381","0.007","99.953","0.007","91.15","0.007","2316.1","0.7","290.02","","290.02","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H32 Br2 Co F12 N6 O2 P2 -","- C42 H28 Br2 Co F12 N6 P2 -","- C84 H56 Br4 Co2 F24 N12 P4 -","2","1","","Huang, Long; Zhang, Kun-Hua; Sun, Ao-Na; Zhao, Bingshan; Shi, Le; Yang, Jiong; Shao, Dong","A cobalt(ii)-terpyridine complex showing field-induced slow magnetic relaxation behavior via reverse spin-crossover","CrystEngComm","2025","27","21","3545","3551","10.1039/D5CE00223K","","","0.71073","MoKα","","0.1025","0.0523","","","0.1183","0.1407","","","","","","1.021","","","","has coordinates","300739","2025-07-06","15:15:21",""
"7250347","26.9241","0.001","7.5422","0.0003","21.1043","0.0008","90","","106.909","0.001","90","","4100.3","0.3","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Cl2 N2 O2 S -","- C19 H22 Cl2 N2 O2 S -","- C152 H176 Cl16 N16 O16 S8 -","8","1","","Dowdell, Zachary T.; Peach, Austin A.; Purdie, John P.; Holmes, Sean T.; Watanabe, Lara K.; Rawson, Jeremy M.; Schurko, Robert W.","Mechanochemical synthesis and 35Cl NMR crystallography of ionic cocrystals of phenothiazine drugs","CrystEngComm","2025","27","22","3752","3768","10.1039/D5CE00426H","","","0.71073","MoKα","","0.0405","0.0303","","","0.0667","0.0715","","","","","","1.052","","","","has coordinates","300685","2025-07-06","14:57:09",""
"7250348","26.8901","0.0013","7.5402","0.0004","21.1999","0.0009","90","","106.365","0.002","90","","4124.3","0.3","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Cl2 N2 O2 S -","- C19 H23 Cl2 N2 O2 S -","- C152 H184 Cl16 N16 O16 S8 -","8","1","","Dowdell, Zachary T.; Peach, Austin A.; Purdie, John P.; Holmes, Sean T.; Watanabe, Lara K.; Rawson, Jeremy M.; Schurko, Robert W.","Mechanochemical synthesis and 35Cl NMR crystallography of ionic cocrystals of phenothiazine drugs","CrystEngComm","2025","27","22","3752","3768","10.1039/D5CE00426H","","","0.71073","MoKα","","0.0352","0.0305","","","0.0737","0.0765","","","","","","1.074","","","","has coordinates","300685","2025-07-06","14:57:10",""
"7250351","15.9487","0.0008","7.4063","0.0004","9.5158","0.0005","90","","90","","90","","1124.01","0.1","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,3,3-trimethyl-2-oxabicycle[2.2.2] octane-5,8-diol","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","1","","Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Vignesh, Krishnan; Thamotharan, Subbiah; Loandos, María del H.; Gil, Diego M.","Supramolecular assembly mediated by hydrogen bonds and weak noncovalent interactions in two eucalyptol derivatives with potential antineoplastic activity: crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking analysis","CrystEngComm","2025","27","22","3806","3822","10.1039/D5CE00308C","","x-ray","0.71073","MoKα","","0.0703","0.0478","","","0.1056","0.1223","","","","","","1.033","","","","has coordinates","300683","2025-07-06","14:56:17",""
"7250352","7.7247","0.0003","8.6013","0.0004","18.5304","0.0008","90","","90","","90","","1231.21","0.09","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,3,3-trimethyl-2-oxabicycle[2.2.2]octane-5-acetyl-8-oxo","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Vignesh, Krishnan; Thamotharan, Subbiah; Loandos, María del H.; Gil, Diego M.","Supramolecular assembly mediated by hydrogen bonds and weak noncovalent interactions in two eucalyptol derivatives with potential antineoplastic activity: crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking analysis","CrystEngComm","2025","27","22","3806","3822","10.1039/D5CE00308C","","x-ray","0.71073","MoKα","","0.0633","0.0441","","","0.095","0.107","","","","","","1.011","","","","has coordinates","300683","2025-07-06","14:56:17",""
"7250356","10.3111","0.0003","4.75675","0.00013","11.9502","0.0004","90","","92.026","0.003","90","","585.76","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C26 H18 Br4 N2 O2 -","2","1","","Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin","Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution","CrystEngComm","2025","27","21","3594","3604","10.1039/D5CE00057B","","x-ray","1.54184","CuKα","","0.03","0.0299","","","0.0848","0.0848","","","","","","1.056","","","","has coordinates","300741","2025-07-06","15:15:57",""
"7250357","10.1482","0.0005","4.7544","0.0002","11.9871","0.0008","90","","92.605","0.005","90","","577.76","0.05","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C26 H18 Br2 Cl2 N2 O2 -","2","0.5","","Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin","Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution","CrystEngComm","2025","27","21","3594","3604","10.1039/D5CE00057B","","x-ray","0.71073","MoKα","","0.0555","0.0537","","","0.1259","0.1266","","","","","","1.391","","","","has coordinates,has disorder","300741","2025-07-06","15:15:58",""
"7250358","10.1919","0.0005","4.7204","0.0002","11.9836","0.0006","90","","92.458","0.004","90","","576","0.05","113.15","","113.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C26 H18 Br2 Cl2 N2 O2 -","2","1","","Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin","Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution","CrystEngComm","2025","27","21","3594","3604","10.1039/D5CE00057B","","x-ray","0.71073","MoKα","","0.049","0.0421","","","0.0932","0.0994","","","","","","1.051","","","","has coordinates","300741","2025-07-06","15:15:58",""
"7250368","7.1705","0.0006","13.2915","0.0012","11.4194","0.0009","90","","90","","90","","1088.35","0.16","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C10 H8 Ag N3 O3 -","- C10 H8 Ag N3 O3 -","- C40 H32 Ag4 N12 O12 -","4","0.5","","Dar, Rouf Ali; Hashmi, Athar Adil","Synthesis, structural analysis, and properties of silver-based 1D and 3D coordination polymers","CrystEngComm","2025","27","24","4090","4101","10.1039/D4CE01242A","","","0.71073","MoKα","","0.1153","0.0546","","","0.0925","0.1094","","","","","","1.147","","","","has coordinates","300677","2025-07-06","14:54:37",""
"7250369","5.7471","0.0001","10.678","0.0003","12.9823","0.0003","98.574","0.002","96.369","0.001","97.329","0.002","774.46","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H9 Ag2 O4 -","- C17 H9 Ag2 O4 -","- C34 H18 Ag4 O8 -","2","1","","Dar, Rouf Ali; Hashmi, Athar Adil","Synthesis, structural analysis, and properties of silver-based 1D and 3D coordination polymers","CrystEngComm","2025","27","24","4090","4101","10.1039/D4CE01242A","","","0.71073","MoKα","","0.0642","0.0405","","","0.0674","0.0742","","","","","","1.072","","","","has coordinates","300677","2025-07-06","14:54:37",""
"7250376","14.064","0.002","14.064","0.002","23.056","0.005","90","","90","","120","","3949.4","1.2","150","0.1","150","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","2-fur-Zn7.3H2O","2-fur-Zn7","","- C65 H88 N8 O29 Zn7 -","- C60 H78 N8 O24 Zn7 -","- C120 H156 N16 O48 Zn14 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0836","0.0582","","","0.1528","0.1656","","","","","","1.055","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250377","14.1","0.002","14.1","0.002","22.702","0.005","90","","90","","120","","3908.7","1.2","149.9","0.1","149.9","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[2-Fur-Co7].3H2O","2-Fur-Co7","","- C59 H76 Co7 N8 O29 -","- C54 H66 Co7 N8 O24 -","- C108 H132 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0954","0.0777","","","0.2159","0.2313","","","","","","1.071","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250378","13.8241","0.0001","13.8241","0.0001","23.4073","0.0004","90","","90","","120","","3873.96","0.08","100","0.2","100","0.2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Cou-Ni7].3H2O","Coumarin-Ni7","","- C63 H78 N8 Ni7 O29 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0603","0.0575","","","0.1884","0.1923","","","","","","1.132","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250379","13.8183","0.0005","13.8183","0.0005","23.1848","0.0014","90","","90","","120","","3833.9","0.3","150.1","0.1","150.1","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[3-fur-Ni7].3H2O","3-Fur-Ni7","","- C59 H76 N8 Ni7 O29 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.099","0.0793","","","0.2261","0.2398","","","","","","1.125","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250380","14.098","0.002","14.098","0.002","22.706","0.005","90","","90","","120","","3908.3","1.2","150","0.1","150","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[3-fur-Co7].4.5H2O","3-Fur-Co7","","- C59 H79 Co7 N8 O30.5 -","- C54 H66 Co7 N8 O24 -","- C108 H132 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.1275","0.0936","","","0.2519","0.2778","","","","","","1.089","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250381","14.01","","14.01","","23.002","","90","","90","","120","","3909.96","","173","0.2","173","0.2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Bzal-Zn7.5H2O","","","- C67 H82 N8 O30 Zn7 -","- C60 H78 N8 O24 Zn7 -","- C120 H156 N16 O48 Zn14 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.6889","synchrotron","","0.0432","0.0416","","","0.136","0.1373","","","","","","1.069","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250382","14.1434","0.0001","14.1434","0.0001","22.9392","0.0002","90","","90","","120","","3973.9","0.05","100","0.1","100","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Ap-Co7].7H2O","AP-Co7","","- C68 H100 Co7 N8 O32 -","- C60 H78 Co7 N8 O24 -","- C120 H156 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0743","0.0719","","","0.2024","0.2042","","","","","","1.22","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250383","14.0528","0.0001","14.0528","0.0001","23.008","0.0002","90","","90","","120","","3934.91","0.05","100","0.1","100","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[2-AF-Co7].7H2O","AF-Co7","","- C66 H98 Co7 N8 O33 -","- C60 H78 Co7 N8 O24 -","- C120 H156 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0644","0.0635","","","0.1781","0.179","","","","","","1.186","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250384","13.8113","0.0001","13.8113","0.0001","23.2351","0.0001","90","","90","","120","","3838.35","0.04","100","2","100.15","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","AF-Ni7","","- C60 H78 N8 Ni7 O24 -","- C60 H78 N8 Ni7.00002 O24 -","- C120 H156 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0753","0.0747","","","0.2238","0.2246","","","","","","1.0266","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250385","8.3991","0.0011","11.6602","0.0015","12.1285","0.0016","90","","103.325","0.006","90","","1155.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio","Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment","CrystEngComm","2025","27","23","3947","3956","10.1039/D4CE01118J","","","0.71073","MoKα","","0.106","0.0513","","","0.0756","0.0859","","","","","","0.801","","","","has coordinates","300734","2025-07-06","15:13:41",""
"7250386","10.7276","0.0012","6.3628","0.0007","17.39","0.002","90","","93.131","0.004","90","","1185.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio","Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment","CrystEngComm","2025","27","23","3947","3956","10.1039/D4CE01118J","","","0.71073","MoKα","","0.1087","0.0542","","","0.1012","0.1218","","","","","","1.017","","","","has coordinates,has disorder","300734","2025-07-06","15:13:42",""
"7250387","17.5842","0.0013","17.5842","0.0013","9.8889","0.0008","90","","90","","120","","2648","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C126 H99 N9 O18 S9 -","9","1","","Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio","Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment","CrystEngComm","2025","27","23","3947","3956","10.1039/D4CE01118J","","","0.71073","MoKα","","0.0484","0.0392","","","0.0766","0.0801","","","","","","1.014","","","","has coordinates","300734","2025-07-06","15:13:42",""
"7250393","8.0489","0.0009","8.2275","0.0008","8.8795","0.0009","65.458","0.01","78.475","0.009","73.773","0.01","511.22","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 N4 O3 -","- C8 H14 N4 O3 -","- C16 H28 N8 O6 -","2","1","","Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata","Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity","CrystEngComm","2025","27","21","3456","3466","10.1039/D5CE00362H","","x-ray","0.71073","MoKα","","0.0645","0.0507","","","0.1373","0.1494","","","","","","1.051","","","","has coordinates,has disorder","300744","2025-07-06","15:16:19",""
"7250394","5.1105","0.0006","7.7802","0.0009","13.1733","0.0013","77.211","0.009","89.735","0.009","76.363","0.01","495.76","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 N2 O6 -","- C7 H12 N2 O6 -","- C14 H24 N4 O12 -","2","1","","Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata","Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity","CrystEngComm","2025","27","21","3456","3466","10.1039/D5CE00362H","","x-ray","0.71073","MoKα","","0.0673","0.0566","","","0.1543","0.1627","","","","","","1.074","","","","has coordinates","300744","2025-07-06","15:16:20",""
"7250398","3.6489","","5.2142","","11.601","","90","","92.336","","90","","220.538","","900","0.8","900","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.068","0.0515","","","0.1263","0.1352","","","","2.1742","2.1742","2.0051","","","","has coordinates","300679","2025-07-06","14:55:11",""
"7250399","3.6486","0.0003","5.2056","0.0004","11.5352","0.001","90","","92.607","0.007","90","","218.86","0.03","750","0.6","750","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0564","0.0366","","","0.0389","0.041","","","","1.3942","1.3942","1.2063","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250400","3.6444","0.0004","5.2008","0.0004","11.54","0.001","90","","92.62","0.008","90","","218.5","0.03","699.8","0.8","699.8","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0547","0.0368","","","0.0399","0.0417","","","","1.5362","1.5362","1.3453","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250401","3.6429","","5.2104","","11.6055","","90","","92.277","","90","","220.11","","850","0.7","850","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1752","0.0528","","","0.1081","0.128","","","","2.3548","2.3548","1.2859","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250402","3.6595","","5.2202","","11.589","","90","","92.198","","90","","221.226","","1000","1","1000","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0725","0.0548","","","0.1198","0.124","","","","2.806","2.806","2.4294","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250403","3.6696","","5.2199","","11.6056","","90","","92.172","","90","","222.145","","1100","1","1100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0588","0.0425","","","0.0922","0.0959","","","","2.1929","2.1929","1.9211","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250404","3.6501","0.0003","5.2064","0.0003","11.5393","0.0009","90","","92.563","0.006","90","","219.07","0.03","770","0.5","770","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0462","0.0322","","","0.035","0.0367","","","","1.4942","1.4942","1.347","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250405","3.6124","0.0003","5.1861","0.0003","11.5194","0.0008","90","","92.945","0.006","90","","215.52","0.03","300.1","0.6","300.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0323","0.0269","","","0.0365","0.0371","","","","1.7753","1.7753","1.6587","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250406","3.6283","0.0003","5.194","0.0003","11.5264","0.001","90","","92.814","0.007","90","","216.96","0.03","500","0.4","500","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0366","0.0286","","","0.0344","0.0354","","","","1.5459","1.5459","1.4379","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250407","3.6402","","5.2095","","11.6161","","90","","92.301","","90","","220.106","","840","0.6","840","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1216","0.0576","","","0.1271","0.1355","","","","2.7885","2.7885","1.7848","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250408","3.6368","","5.2083","","11.6259","","90","","92.257","","90","","220.042","","810","","810","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1071","0.0601","","","0.0821","0.0873","","","","2.3576","2.3576","1.7009","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250409","3.6396","","5.2104","","11.6194","","90","","92.307","","90","","220.169","","830","0.6","830","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1484","0.0518","","","0.1035","0.1198","","","","2.0117","2.0117","1.2209","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250411","16.8237","0.0006","12.2192","0.0004","18.3904","0.0007","90","","106.431","0.002","90","","3626.2","0.2","296.15","0.03","296.15","0.03","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 N24 O16 S3 -","- C18 H38 N24 O16 S3 -","- C72 H152 N96 O64 S12 -","4","1","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand","CrystEngComm","2025","27","24","4116","4124","10.1039/D5CE00320B","","","0.71073","MoKα","","0.0578","0.0426","","","0.1061","0.1169","","","","","","1.017","","","","has coordinates","300680","2025-07-06","14:55:35",""
"7250412","12.8318","0.0009","12.185","0.0009","25.4468","0.0018","90","","90","","90","","3978.7","0.5","296.15","0.02","296.15","0.02","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H19 N6 Na3 O14 S3 -","- C8 H15 N6 Na3 O14 S3 -","- C64 H120 N48 Na24 O112 S24 -","8","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand","CrystEngComm","2025","27","24","4116","4124","10.1039/D5CE00320B","","","0.71073","MoKα","","0.045","0.0361","","","0.0899","0.0953","","","","","","1.065","","","","has coordinates,has disorder","300680","2025-07-06","14:55:35",""
"7250413","8.8233","0.0004","19.8695","0.0009","18.6688","0.0008","90","","90","","90","","3272.9","0.3","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H7 K3 O14 S3 -","- C6 H3 K3 O14 S3 -","- C48 H24 K24 O112 S24 -","8","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand","CrystEngComm","2025","27","24","4116","4124","10.1039/D5CE00320B","","","0.71073","MoKα","","0.0345","0.0292","","","0.0787","0.0821","","","","","","1.045","","","","has coordinates","300680","2025-07-06","14:55:35",""
"7250425","14.6656","0.0007","13.5195","0.0006","23.2999","0.0011","90","","107","0.005","90","","4417.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H36 Cl18 N4 O12 Tb2 -","- C70 H36 Cl18 N4 O12 Tb2 -","- C140 H72 Cl36 N8 O24 Tb4 -","2","0.5","","Cai, Ziyan; Li, Ping; Yu, Xiaobo; Lai, Lin; Yu, Cilin; Hu, Yuan; Gao, Xiaolei; Zeng, Chenghui","Visual sensing Ni2+ in real samples with test paper based on a new dinuclear terbium complex","CrystEngComm","2025","27","25","4304","4311","10.1039/D5CE00117J","","","0.71073","MoKα","","0.0627","0.0504","","","0.141","0.1517","","","","","","0.985","","","","has coordinates","300711","2025-07-06","15:07:20",""
"7250428","6.5974","0.0009","13.245","0.002","8.8593","0.0013","90","","92.415","0.004","90","","773.46","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 Eu Na O9 S -","- C2 H4 Eu Na O9 S -","- C8 H16 Eu4 Na4 O36 S4 -","4","1","","Yuan, Yue; Huang, Liangliang; Lu, Yang; Shao, Xin; Bi, Yanfeng","A dual-function europium sulfite–oxalate complex for proton conduction and selection of Fe3+ ions","CrystEngComm","2025","27","28","4844","4850","10.1039/D5CE00458F","","","0.71073","MoKα","","0.0178","0.0172","","","0.0393","0.0398","","","","","","1.069","","","","has coordinates","301561","2025-08-05","21:32:36",""
"7250429","9.6781","0.0011","9.9149","0.0011","27.66","0.003","90","","99.307","0.003","90","","2619.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 I2 N6 O4 Zn -","- C20 H28 I2 N6 O4 Zn -","- C80 H112 I8 N24 O16 Zn4 -","4","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0405","0.0331","","","0.0934","0.0979","","","","","","1.056","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250430","7.53","0.004","8.876","0.005","12.919","0.007","71.439","0.013","74.215","0.013","68.987","0.012","751.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Br2 Cd N8 O4 -","- C28 H28 Br2 Cd N8 O4 -","- C28 H28 Br2 Cd N8 O4 -","1","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0466","0.0275","","","0.0562","0.0629","","","","","","1.048","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250431","38.197","0.002","4.6289","0.0002","17.4981","0.0009","90","","116.519","0.0016","90","","2768.3","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Hg2 I4 N4 O2 -","- C18 H22 Hg2 I4 N4 O2 -","- C72 H88 Hg8 I16 N16 O8 -","4","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0465","0.0315","","","0.0651","0.0697","","","","","","1.026","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250432","8.9922","0.0008","11.0373","0.0011","11.2843","0.0011","93.85","0.002","112.858","0.0019","111.598","0.0019","930.25","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cd I2 N4 O2 -","- C14 H14 Cd I2 N4 O2 -","- C28 H28 Cd2 I4 N8 O4 -","2","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.1166","0.0488","","","0.0608","0.0746","","","","","","0.969","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250433","8.61","0.02","10.55","0.03","10.87","0.03","94.51","0.06","112.25","0.06","110.1","0.08","833","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 I2 N4 O2 Zn -","- C14 H14 I2 N4 O2 Zn -","- C28 H28 I4 N8 O4 Zn2 -","2","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.236","0.0824","","","0.1235","0.1568","","","","","","1.014","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250434","8.5935","0.0006","5.121","0.0004","21.3841","0.0016","90","","99.26","0.002","90","","928.79","0.12","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H14 Hg I2 N4 O2 -","- C14 H14 Hg I2 N4 O2 -","- C28 H28 Hg2 I4 N8 O4 -","2","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0497","0.0361","","","0.0914","0.0993","","","","","","1.055","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250435","8.263","0.0005","24.8667","0.0015","9.4656","0.0006","90","","115.88","","90","","1749.87","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Br2 Cd2 N8 O8 -","- C30 H28 Br2 Cd2 N8 O8 -","- C60 H56 Br4 Cd4 N16 O16 -","2","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0326","0.0254","","","0.0564","0.0592","","","","","","1.031","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250436","8.9249","0.001","11.0499","0.0013","11.3056","0.0013","94.773","0.003","112.746","0.002","110.951","0.002","927.97","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Hg I2 N4 O2 -","- C14 H14 Hg I2 N4 O2 -","- C28 H28 Hg2 I4 N8 O4 -","2","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.1403","0.0486","","","0.0595","0.0771","","","","","","0.944","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250437","17.859","0.002","13.892","0.002","10.4606","0.0013","90","","124.251","0.003","90","","2145.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cd N4 O10 -","- C16 H22 Cd N4 O10 -","- C64 H88 Cd4 N16 O40 -","4","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0378","0.0282","","","0.0543","0.0582","","","","","","1.048","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250438","8.1474","0.0003","22.1923","0.0008","9.4033","0.0003","90","","113.027","0.0009","90","","1564.73","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br2 Cd N8 O4 -","- C28 H28 Br2 Cd N8 O4 -","- C56 H56 Br4 Cd2 N16 O8 -","2","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0403","0.0272","","","0.0538","0.0574","","","","","","1.034","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250439","12.0191","0.0015","13.5251","0.0017","14.9707","0.0018","90","","109.607","0.003","90","","2292.5","0.5","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H22 Cd I2 N4 O2 -","- C18 H22 Cd I2 N4 O2 -","- C72 H88 Cd4 I8 N16 O8 -","4","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0916","0.0383","","","0.05","0.063","","","","","","1.006","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250447","8.9767","0.0009","9.9167","0.0011","13.7275","0.0016","90","","90","","90","","1222","0.2","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Cl4 Cu N2 -","- C5 H14 Cl4 Cu N2 -","- C20 H56 Cl16 Cu4 N8 -","4","1","","Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang","A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]","CrystEngComm","2025","27","27","4707","4712","10.1039/D5CE00330J","","","0.71073","MoKα","","0.0347","0.0315","","","0.074","0.0754","","","","","","1.091","","","","has coordinates","301564","2025-08-05","21:33:15",""
"7250448","7.5307","0.0012","9.9035","0.0017","17.459","0.003","90","","90","","90","","1302.1","0.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 Cl4 Cu N2 -","- C6 H15 Cl4 Cu N2 -","- C24 H60 Cl16 Cu4 N8 -","4","1","","Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang","A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]","CrystEngComm","2025","27","27","4707","4712","10.1039/D5CE00330J","","","0.71073","MoKα","","0.0394","0.0351","","","0.0842","0.0862","","","","","","1.006","","","","has coordinates","301564","2025-08-05","21:33:16",""
"7250449","7.5451","0.0005","17.9299","0.0011","9.7675","0.0005","90","","102.46","0.004","90","","1290.25","0.14","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Cl4 Cu F N2 -","- C6 H15 Cl4 Cu F N2 -","- C24 H60 Cl16 Cu4 F4 N8 -","4","1","","Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang","A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]","CrystEngComm","2025","27","27","4707","4712","10.1039/D5CE00330J","","","0.71073","MoKα","","0.0349","0.0298","","","0.0721","0.0748","","","","","","1.081","","","","has coordinates","301564","2025-08-05","21:33:16",""
"7250453","8.214","0.002","11.435","0.003","17.873","0.005","101.983","0.008","96.261","0.008","101.317","0.008","1590.5","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N7 O9 -","- C33 H31 N7 O9 -","- C66 H62 N14 O18 -","2","1","","Singh, Abhay Pratap; Baruah, Jubaraj Bikash","Ternary assembly of pyrazine 2,3-dicarboxylic acid with a ditopic amine","CrystEngComm","2025","27","26","4498","4507","10.1039/D5CE00391A","","","0.71073","MoKα","","0.1497","0.076","","","0.1756","0.2227","","","","","","1.025","","","","has coordinates","300690","2025-07-06","14:58:26",""
"7250454","10.504","0.003","11.035","0.003","12.357","0.004","72.607","0.008","81.828","0.009","87.451","0.009","1352.9","0.7","299","2","299","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N5 O7 -","- C28 H33 N5 O7 -","- C56 H66 N10 O14 -","2","1","","Singh, Abhay Pratap; Baruah, Jubaraj Bikash","Ternary assembly of pyrazine 2,3-dicarboxylic acid with a ditopic amine","CrystEngComm","2025","27","26","4498","4507","10.1039/D5CE00391A","","","0.71073","MoKα","","0.0813","0.0613","","","0.1456","0.1629","","","","","","1.053","","","","has coordinates","300690","2025-07-06","14:58:27",""
"7250455","16.1471","0.0011","8.4748","0.0005","11.769","0.0007","90","","105.399","0.003","90","","1552.69","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Au Cl3 N3 O -","- C10 H17 Au Cl3 N3 O -","- C40 H68 Au4 Cl12 N12 O4 -","4","1","","Buils, Jordi; Terrón, Angel; Barceló-Oliver, Miquel; Fiol, Juan Jesús; García-Raso, Angel; Gomila, Rosa M.; Frontera, Antonio","Synthesis, X-ray characterization, and DFT calculations of gold–nucleobase complexes: on the importance of regium bonds and anion–π interactions","CrystEngComm","2025","27","24","4081","4089","10.1039/D5CE00363F","","","1.54178","CuKα","","0.0641","0.0493","","","0.1094","0.1203","","","","","","1.063","","","","has coordinates,has disorder","300676","2025-07-06","14:54:28",""
"7250456","6.8686","0.0009","10.7183","0.0014","20.6","0.003","84.708","0.006","86.889","0.006","72.364","0.005","1438.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Au Cl5 N6 O2 -","- C20 H36 Au Cl5 N6 O2 -","- C40 H72 Au2 Cl10 N12 O4 -","2","1","","Buils, Jordi; Terrón, Angel; Barceló-Oliver, Miquel; Fiol, Juan Jesús; García-Raso, Angel; Gomila, Rosa M.; Frontera, Antonio","Synthesis, X-ray characterization, and DFT calculations of gold–nucleobase complexes: on the importance of regium bonds and anion–π interactions","CrystEngComm","2025","27","24","4081","4089","10.1039/D5CE00363F","","","1.54178","CuKα","","0.1102","0.1083","","","0.2842","0.2851","","","","","","1.176","","","","has coordinates,has disorder","300676","2025-07-06","14:54:28",""
"7250457","62.932","0.002","62.932","0.002","5.69893","0.00015","90","","90","","120","","19546.4","1","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C756 H1026 N54 O270 -","54","3","","Steenhaut, Timothy; Li, Xiao; Zhou, Fuli; Robeyns, Koen; Leyssens, Tom; Filinchuk, Yaroslav; Shemchuk, Oleksii","A hydrogen-bonded organic framework with ultramicroporous channels based on proline and dl-2-phenoxypropionic acid","CrystEngComm","2025","27","23","3887","3890","10.1039/D5CE00357A","","","0.71073","MoKα","","0.1305","0.0795","","","0.1496","0.1672","","","","","","1.097","","","","has coordinates,has disorder","300735","2025-07-06","15:14:03",""
"7250458","62.5573","0.0016","62.5573","0.0016","5.6698","0.00014","90","","90","","120","","19215.6","0.8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C756 H1026 N54 O270 -","54","3","","Steenhaut, Timothy; Li, Xiao; Zhou, Fuli; Robeyns, Koen; Leyssens, Tom; Filinchuk, Yaroslav; Shemchuk, Oleksii","A hydrogen-bonded organic framework with ultramicroporous channels based on proline and dl-2-phenoxypropionic acid","CrystEngComm","2025","27","23","3887","3890","10.1039/D5CE00357A","","","0.71073","MoKα","","0.0818","0.05","","","0.1109","0.118","","","","","","1.036","","","","has coordinates","300735","2025-07-06","15:14:04",""
"7250459","10.5916","0.0003","10.6052","0.0005","11.5225","0.0004","113.549","0.004","95.905","0.003","115.253","0.004","1013.11","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 N6 O16 Tb2 -","- C28 H52 N6 O16 Tb2 -","- C28 H52 N6 O16 Tb2 -","1","0.5","","Ushakov, Daniil A.; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Kirilyuk, Igor A.; Demakov, Pavel A.; Fedin, Vladimir P.","Solvatomorphism, CO2 adsorption and luminescence properties of non-aromatic bis-hydroxamate-based metal–organic frameworks","CrystEngComm","2025","27","27","4699","4706","10.1039/D5CE00383K","","x-ray","0.71073","MoKα","","0.0343","0.0314","","","0.0736","0.0757","","","","","","1.03","","","","has coordinates,has disorder","301566","2025-08-05","21:33:43",""
"7250460","9.7692","0.0004","10.1377","0.0004","10.6609","0.0006","72.938","0.004","72.646","0.004","63.374","0.004","884.97","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 N4 O16 Tb2 -","- C24 H46 N4 O16 Tb2 -","- C24 H46 N4 O16 Tb2 -","1","0.5","","Ushakov, Daniil A.; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Kirilyuk, Igor A.; Demakov, Pavel A.; Fedin, Vladimir P.","Solvatomorphism, CO2 adsorption and luminescence properties of non-aromatic bis-hydroxamate-based metal–organic frameworks","CrystEngComm","2025","27","27","4699","4706","10.1039/D5CE00383K","","x-ray","0.71073","MoKα","","0.0295","0.0243","","","0.0495","0.0521","","","","","","1.034","","","","has coordinates,has disorder","301566","2025-08-05","21:33:43",""
"7250461","5.619","0.0005","8.2905","0.0007","11.0972","0.0009","99.262","0.003","99.099","0.003","102.841","0.003","487.25","0.07","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C18 H30 N2 O8 -","2","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","x-ray","0.71073","MoKα","","0.0437","0.0392","","","0.1056","0.109","","","","","","1.034","","","","has coordinates","301563","2025-08-05","21:33:06",""
"7250462","5.6275","0.0003","9.642","0.0005","11.8288","0.0006","100.639","0.002","90.079","0.002","102.129","0.002","616.18","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0416","0.0415","","","0.1096","0.1096","","","","","","1.122","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250463","8.0431","0.0007","14.8328","0.0012","16.9537","0.0014","90","","98.675","0.004","90","","1999.5","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 N2 O11 -","- C16 H26 N2 O11 -","- C64 H104 N8 O44 -","4","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0609","0.0599","","","0.159","0.1605","","","","","","1.057","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250464","8.8182","0.0005","5.5773","0.0003","25.613","0.0014","90","","97.959","0.002","90","","1247.56","0.12","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C44 H68 N4 O24 -","4","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0576","0.0551","","","0.1482","0.1502","","","","","","1.067","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250465","7.9935","0.0007","10.9224","0.001","11.3553","0.001","76.15","0.005","75.668","0.005","72.689","0.005","902.21","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C38 H42 N2 O8 -","2","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.1099","0.0908","","","0.2727","0.2846","","","","","","1.069","","","","has coordinates,has disorder","301563","2025-08-05","21:33:07",""
"7250466","5.6443","0.0005","17.2728","0.0014","17.5092","0.0015","90","","90","","90","","1707","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0435","0.0435","","","0.1095","0.1096","","","","","","1.186","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250467","20.332","0.0008","9.1554","0.0004","26.9029","0.0011","90","","108.812","0.001","90","","4740.4","0.3","200","2","200","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","9,9'-bifluorenyl-9,9'-diol","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C248 H184 N8 O16 -","8","2","","Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C.","The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines","CrystEngComm","2025","27","24","4176","4188","10.1039/D5CE00432B","","","0.71073","MoKα","","0.0537","0.0453","","","0.1151","0.1201","","","","","","1.031","","","","has coordinates","300678","2025-07-06","14:54:47",""
"7250468","10.4369","0.0005","10.7155","0.0004","21.6126","0.0009","90","","90","","90","","2417.08","0.18","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9,9'-bifluorenyl-9,9'-diol","","- C32 H25 N O2 -","- C32 H25 N O2 -","- C128 H100 N4 O8 -","4","1","","Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C.","The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines","CrystEngComm","2025","27","24","4176","4188","10.1039/D5CE00432B","","","0.71073","MoKα","","0.0331","0.031","","","0.0818","0.0835","","","","","","1.063","","","","has coordinates","300678","2025-07-06","14:54:48",""
"7250469","20.6545","0.0007","9.0895","0.0003","27.2828","0.001","90","","109.272","0.001","90","","4835","0.3","200","2","200","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","9,9'-bifluorenyl-9,9'-diol","","- C32 H25 N O2 -","- C32 H25 N O2 -","- C256 H200 N8 O16 -","8","2","","Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C.","The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines","CrystEngComm","2025","27","24","4176","4188","10.1039/D5CE00432B","","","0.71073","MoKα","","0.0564","0.0483","","","0.1216","0.127","","","","","","1.08","","","","has coordinates","300678","2025-07-06","14:54:48",""
"7250470","16.4563","0.0006","14.201","0.0006","16.436","0.0008","90","","97.994","0.002","90","","3803.7","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cl N4 O4 -","- C19 H21 Cl N4 O4 -","- C152 H168 Cl8 N32 O32 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","","0.71073","MoKα","","0.0612","0.0363","","","0.0432","0.0465","","","","","","1","","","","has coordinates","301562","2025-08-05","21:32:55",""
"7250471","16.4563","0.0006","14.201","0.0006","16.436","0.0008","90","","97.994","0.002","90","","3803.7","0.3","100","","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cl N4 O4 -","- C19 H21 Cl N4 O4 -","- C152 H168 Cl8 N32 O32 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","","0.71073","MoKα","","0.0723","0.0476","","","0.0655","0.0678","","","","","","0.977","","","","has coordinates","301562","2025-08-05","21:32:56",""
"7250472","16.4563","0.0006","14.201","0.0006","16.436","0.0008","90","","97.994","0.002","90","","3803.7","0.3","100","2","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cl N4 O4 -","- C19 H21 Cl N4 O4 -","- C152 H168 Cl8 N32 O32 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","x-ray","0.71073","MoKα","","0.0645","0.0395","","","0.0833","0.0974","","","","","","1.081","","","","has coordinates","301562","2025-08-05","21:32:56",""
"7250473","23.295","0.002","14.4908","0.0015","11.5884","0.0013","90","","100.772","0.003","90","","3842.9","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cl N4 O3 -","- C19 H19 Cl N4 O3 -","- C152 H152 Cl8 N32 O24 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","","0.71073","MoKα","","0.2077","0.0763","","","0.135","0.1809","","","","","","1.016","","","","has coordinates","301562","2025-08-05","21:32:56",""
"7250475","11.839","0.002","19.437","0.003","8.4998","0.0012","90","","94.456","0.016","90","","1950","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Ag N5 S3 -","- C17 H18 Ag N5 S3 -","- C68 H72 Ag4 N20 S12 -","4","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.2419","0.0983","","","0.1324","0.1587","","","","","","1.002","","","","has coordinates","300682","2025-07-06","14:55:58",""
"7250476","10.4384","0.0004","7.9869","0.0004","25.5132","0.0011","90","","90","","90","","2127.05","0.16","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Ag N3 O3 S -","- C8 H9 Ag N3 O3 S -","- C64 H72 Ag8 N24 O24 S8 -","8","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","x-ray","1.54184","CuKα","","0.0536","0.0372","","","0.0873","0.0966","","","","","","1.042","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250477","8.9221","0.0007","9.1495","0.0009","15.5032","0.0019","99.962","0.009","105.877","0.009","92.806","0.007","1192.7","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag F6 N5 P S2 -","- C18 H21 Ag F6 N5 P S2 -","- C36 H42 Ag2 F12 N10 P2 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.3091","0.0888","","","0.1023","0.1292","","","","","","1.005","","","","has coordinates,has disorder","300682","2025-07-06","14:56:08",""
"7250478","8.7606","0.0004","9.1372","0.0004","14.8333","0.0009","100.491","0.004","106.509","0.005","92.957","0.004","1112.64","0.1","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag B F4 N5 S2 -","- C18 H21 Ag B F4 N5 S2 -","- C36 H42 Ag2 B2 F8 N10 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.1731","0.0609","","","0.1148","0.1405","","","","","","1.009","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250479","8.7317","0.0008","9.0556","0.0008","14.9153","0.0013","100.097","0.007","106.306","0.008","92.91","0.007","1108.14","0.18","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag Cl N5 O4 S2 -","- C18 H21 Ag Cl N5 O4 S2 -","- C36 H42 Ag2 Cl2 N10 O8 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.1069","0.0486","","","0.0967","0.1101","","","","","","1.034","","","","has coordinates,has disorder","300682","2025-07-06","14:56:08",""
"7250480","8.2259","0.0004","12.92","0.001","16.5893","0.0012","87.868","0.006","81.755","0.005","86.775","0.005","1741.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Ag N9 O3 S4 -","- C32 H36 Ag N9 O3 S4 -","- C64 H72 Ag2 N18 O6 S8 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.1513","0.0666","","","0.0682","0.0806","","","","","","0.977","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250481","8.4341","0.0003","13.2016","0.0003","16.9441","0.0006","92.035","0.002","103.887","0.003","94.377","0.002","1823.31","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 Ag N9 S5 -","- C33 H36 Ag N9 S5 -","- C66 H72 Ag2 N18 S10 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","x-ray","1.54184","CuKα","","0.0463","0.039","","","0.0963","0.1022","","","","","","1.027","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250482","24.585","0.004","11.4983","0.0018","16.964","0.005","90","","129.258","0.002","90","","3713.2","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N4 O5.5 Zn -","- C20 H14 N4 O5.5 Zn -","- C160 H112 N32 O44 Zn8 -","8","1","","Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang","Central metal ion of MOFs modulates the fluorescence detection of Fe3+","CrystEngComm","2025","27","26","4582","4590","10.1039/D5CE00419E","","","0.71073","MoKα","","0.1018","0.0498","","","0.1006","0.1233","","","","","","1.014","","","","has coordinates,has disorder","300686","2025-07-06","14:57:23",""
"7250483","15.9757","0.0011","12.5349","0.0009","8.3633","0.0006","90","","90","","90","","1674.8","0.2","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H12 N4 O4 Sr -","- C20 H12 N4 O4 Sr -","- C80 H48 N16 O16 Sr4 -","4","0.5","","Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang","Central metal ion of MOFs modulates the fluorescence detection of Fe3+","CrystEngComm","2025","27","26","4582","4590","10.1039/D5CE00419E","","","0.71073","MoKα","","0.0368","0.0235","","","0.0533","0.0567","","","","","","1.042","","","","has coordinates","300686","2025-07-06","14:57:23",""
"7250484","5.8982","0.0001","7.2515","0.0001","11.027","0.0001","90","","102.253","0.001","90","","460.89","0.011","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","potassium glycolate hemihydrate","potassium hydroxyacetate hemihydrate","","- C2 H4 K O3.5 -","- C2 H4 K O3.5 -","- C8 H16 K4 O14 -","4","1","","Hu, Mingyang; Yang, Hexiong; Huo, Xiaojia; Lian, Bin","Synthesis, structures, characterization and deterioration of potassium glycolate hemihydrate","CrystEngComm","2025","27","28","4816","4825","10.1039/D5CE00182J","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0685","0.0687","","","","","","1.067","","","","has coordinates","301560","2025-08-05","21:32:20",""
"7250485","3.9788","0.0001","17.5322","0.0002","10.5049","0.0001","90","","102.342","0.001","90","","715.86","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium glycolate glycolic acid","potassium hydroxyacetate hydroxyacetic acid","","- C4 H7 K O6 -","- C4 H7 K O6 -","- C16 H28 K4 O24 -","4","1","","Hu, Mingyang; Yang, Hexiong; Huo, Xiaojia; Lian, Bin","Synthesis, structures, characterization and deterioration of potassium glycolate hemihydrate","CrystEngComm","2025","27","28","4816","4825","10.1039/D5CE00182J","","x-ray","1.54184","CuKα","","0.0323","0.0289","","","0.0787","0.0803","","","","","","1.08","","","","has coordinates","301560","2025-08-05","21:32:29",""
"7250487","11.9917","0.0008","12.308","0.0009","6.4995","0.0004","90","","114.554","0.002","90","","872.54","0.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe3 H2 Na0.69 O12 P3 -","- Fe3 H2 Na0.686 O12 P3 -","- Fe12 H8 Na2.744 O48 P12 -","4","0.5","","Kurashkina, Anna A.; Alekseeva, Anastasia M.; Soboleva, Iana S.; Sobolev, Alexey V.; Mironov, Andrey V.; Marikutsa, Artem V.; Mikheev, Ivan V.; Shatalova, Tatyana B.; Presniakov, Igor A.; Drozhzhin, Oleg A.; Antipov, Evgeny V.","Unraveling the transition from alluaudite to triphylite phases during LiFePO4 hydrothermal synthesis","CrystEngComm","2025","27","24","4209","4220","10.1039/D5CE00097A","powder diffraction","x-ray","1.789","CoKα","","0.0289","0.0285","","0.0385","0.038","","","","1.2","","","","","","","has coordinates","300681","2025-07-06","14:55:45",""
"7250504","22.0631","0.0012","10.1086","0.0004","21.7781","0.0011","90","","95.399","0.002","90","","4835.6","0.4","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 O11 Ta2 -","- C48 H60 O11 Ta2 -","- C192 H240 O44 Ta8 -","4","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.0447","0.0281","","","0.0544","0.0628","","","","","","1.092","","","","has coordinates","301565","2025-08-05","21:33:33",""
"7250505","24.6357","0.0005","9.2183","0.0002","21.2142","0.0005","90","","94.4971","0.0009","90","","4802.9","0.18","100.1","","100.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 O11 Ta2 -","- C46 H64 O11 Ta2 -","- C184 H256 O44 Ta8 -","4","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.71073","MoKα","","0.0496","0.0346","","","0.0661","0.069","","","","","","1.073","","","","has coordinates,has disorder","301565","2025-08-05","21:33:34",""
"7250506","11.9823","0.0009","18.5216","0.0015","14.426","0.0012","90","","95.784","0.003","90","","3185.3","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 O20 Ta4 -","- C52 H76 O20 Ta4 -","- C104 H152 O40 Ta8 -","2","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.0428","0.0262","","","0.0461","0.0559","","","","","","1.168","","","","has coordinates,has disorder","301565","2025-08-05","21:33:34",""
"7250507","14.4485","0.0008","12.6909","0.0007","20.2649","0.001","90","","102.852","0.0016","90","","3622.8","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H84 O20 Ta4 -","- C68 H84 O20 Ta4 -","- C136 H168 O40 Ta8 -","2","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.0462","0.0279","","","0.0531","0.0635","","","","","","1.214","","","","has coordinates","301565","2025-08-05","21:33:34",""
"7250508","11.3938","0.0014","23.187","0.004","24.311","0.004","87.046","0.005","78.852","0.005","80.786","0.005","6218.8","1.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C224 H222 O72 Ta16 -","- C224 H222 O72 Ta16 -","- C224 H222 O72 Ta16 -","1","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.1258","0.0766","","","0.1469","0.1907","","","","","","1.116","","","","has coordinates","301565","2025-08-05","21:33:34",""
"7250527","7.54622","0.00004","25.77176","0.00017","13.72571","0.00007","90","","94.0002","0.0005","90","","2662.86","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cl Dy N5 O5 -","- C25 H25 Cl Dy N5 O5 -","- C100 H100 Cl4 Dy4 N20 O20 -","4","1","","Ahmed, Naushad; Nabi, Rizwan; Zhang, Xiaoguang; Darensbourg, Donald J.","Ladder-type 1D coordination polymer of Dy(iii): synthesis and investigation of magnetic behaviour","CrystEngComm","2025","27","26","4508","4515","10.1039/D5CE00491H","","","1.54184","CuKα","","0.0264","0.0256","","","0.0672","0.0677","","","","","","1.108","","","","has coordinates","300688","2025-07-06","14:57:56",""
"7250528","11.7255","0.0013","14.4835","0.0016","13.8775","0.0015","90","","99.984","0.003","90","","2321.1","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O4 Zn -","- C22 H28 N2 O4 Zn -","- C88 H112 N8 O16 Zn4 -","4","1","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0653","0.0457","","","0.1232","0.1354","","","","","","1.118","","","","has coordinates","301570","2025-08-05","21:35:22",""
"7250529","21.993","0.002","10.4162","0.001","18.6268","0.0019","90","","90","","90","","4267.1","0.7","273","2","273","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H44 Cl4 N4 O9 Zn2 -","- C40 H44 Cl4 N4 O9 Zn2 -","- C160 H176 Cl16 N16 O36 Zn8 -","4","0.5","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0793","0.0464","","","0.1025","0.126","","","","","","1.071","","","","has coordinates","301570","2025-08-05","21:35:23",""
"7250530","27.2641","0.0008","9.4294","0.0003","17.5738","0.0005","90","","123.972","0.001","90","","3746.8","0.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cl4 N4 O8 Zn2 -","- C36 H36 Cl4 N4 O8 Zn2 -","- C144 H144 Cl16 N16 O32 Zn8 -","4","0.5","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0438","0.034","","","0.0852","0.0904","","","","","","1.041","","","","has coordinates","301570","2025-08-05","21:35:23",""
"7250531","7.3148","0.0005","12.0737","0.0008","17.2426","0.0012","88.103","0.002","82.599","0.002","87.794","0.002","1508.39","0.18","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 Cl4 N3 O5 Zn -","- C25 H31 Cl4 N3 O5 Zn -","- C50 H62 Cl8 N6 O10 Zn2 -","2","1","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0507","0.0424","","","0.1284","0.1436","","","","","","1.117","","","","has coordinates,has disorder","301570","2025-08-05","21:35:23",""
"7250532","11.9713","0.0011","16.7097","0.0015","15.6498","0.0015","90","","98.033","0.003","90","","3099.8","0.5","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl4 N2 O7 S Zn -","- C24 H34 Cl4 N2 O7 S Zn -","- C96 H136 Cl16 N8 O28 S4 Zn4 -","4","1","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","1.54178","CuKα","","0.0413","0.0412","","","0.1086","0.1087","","","","","","1.124","","","","has coordinates","301570","2025-08-05","21:35:23",""
"7250536","7.0444","0.0003","7.5521","0.0003","10.9795","0.0004","86.717","0.002","74.314","0.002","71.736","0.002","533.79","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl N2 S -","- C11 H9 Cl N2 S -","- C22 H18 Cl2 N4 S2 -","2","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.047","0.0365","","","0.0781","0.0822","","","","","","1.076","","","","has coordinates","300712","2025-07-06","15:07:43",""
"7250537","21.894","0.004","5.8084","0.0009","11.885","0.002","90","","102.21","0.02","90","","1477.2","0.4","293.15","","293.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Si2 -","- C14 H22 Si2 -","- C56 H88 Si8 -","4","0.5","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","","1.54184","CuKα","","0.0444","0.0421","","","0.1248","0.1281","","","","","","1.083","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250538","28.278","0.002","6.1225","0.0004","20.5471","0.0016","90","","122.03","0.002","90","","3015.8","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Cl N2 S -","- C15.003 H17.009 Cl N2 S -","- C120.024 H136.072 Cl8 N16 S8 -","8","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.056","0.0369","","","0.0818","0.0915","","","","","","1.049","","","","has coordinates,has disorder","300712","2025-07-06","15:07:44",""
"7250539","28.4963","0.0016","10.0575","0.0005","27.113","0.002","90","","118.632","0.002","90","","6820.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H11 Eu N3 O11 -","- C23 H11 Eu N3 O11 -","- C184 H88 Eu8 N24 O88 -","8","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","","0.71073","MoKα","","0.0454","0.0375","","","0.0947","0.0975","","","","","","1.086","","","","has coordinates,has disorder","300712","2025-07-06","15:07:44",""
"7250540","6.0518","0.0001","7.0245","0.0002","13.5533","0.0003","88.682","0.001","80.727","0.001","74.433","0.001","547.65","0.02","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Cl F N2 S -","- C11 H8 Cl F N2 S -","- C22 H16 Cl2 F2 N4 S2 -","2","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0305","0.0267","","","0.0678","0.0704","","","","","","1.111","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250541","8.6332","0.0005","6.0348","0.0003","46.857","0.003","90","","90","","90","","2441.2","0.2","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H11 Cl N2 O S -","- C12 H11 Cl N2 O S -","- C96 H88 Cl8 N16 O8 S8 -","8","2","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0547","0.0446","","","0.0822","0.0854","","","","","","1.138","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250542","28.4888","0.0014","10.0261","0.0004","27.1521","0.0013","90","","118.885","0.002","90","","6790.6","0.6","298.04","","298.04","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 N3 O11 Tb -","- C23 H11 N3 O11 Tb -","- C184 H88 N24 O88 Tb8 -","8","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","","0.71073","MoKα","","0.0536","0.039","","","0.0948","0.1001","","","","","","1.08","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250543","15.1462","0.0009","9.073","0.0005","10.1184","0.0006","90","","90.108","0.002","90","","1390.48","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl N3 O2 S -","- C11 H16 Cl N3 O2 S -","- C44 H64 Cl4 N12 O8 S4 -","4","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0523","0.0403","","","0.0713","0.0765","","","","","","1.143","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250544","7.4398","0.0003","8.2528","0.0003","9.8182","0.0004","73.462","0.002","77.946","0.002","82.09","0.002","563.18","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cl N2 O S -","- C11 H9 Cl N2 O S -","- C22 H18 Cl2 N4 O2 S2 -","2","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0349","0.0295","","","0.0632","0.0661","","","","","","1.095","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250550","22.7381","0.0004","22.6517","0.0005","19.7113","0.0004","90","","90","","90","","10152.4","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44.5 H38.25 Co2 I4 N6 O9 -","- C44.5 H38.25 Co2 I4 N6 O9 -","- C356 H306 Co16 I32 N48 O72 -","8","1","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal–organic framework","CrystEngComm","2025","27","28","4863","4867","10.1039/D5CE00440C","","","0.71073","MoKα","","0.0749","0.0506","","","0.1305","0.1397","","","","","","1.06","","","","has coordinates,has disorder","301559","2025-08-05","21:32:05",""
"7250551","15.5617","0.0005","34.0855","0.0011","14.1496","0.0005","90","","90","","90","","7505.3","0.4","150","2","150","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C22.5 H20.13 Co I2 N2.87 O4.87 -","- C22.5 H20.1333 Co I2 N2.86667 O4.86667 -","- C270 H241.6 Co12 I24 N34.4 O58.4 -","12","3","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal–organic framework","CrystEngComm","2025","27","28","4863","4867","10.1039/D5CE00440C","","","0.71073","MoKα","","0.1018","0.0773","","","0.155","0.1653","","","","","","1.113","","","","has coordinates,has disorder","301559","2025-08-05","21:32:05",""
"7250556","12.293","0.013","14.761","0.016","14.809","0.016","115.58","0.02","109.27","0.02","97.28","0.02","2171","4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cu Mo4 N4 O21 -","- C36 H28 Cu Mo4 N4 O17 -","- C72 H56 Cu2 Mo8 N8 O34 -","2","1","","Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li","Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB","CrystEngComm","2025","27","26","4547","4554","10.1039/D5CE00354G","","","0.71073","MoKα","","0.1937","0.0793","","","0.1558","0.1769","","","","","","0.969","","","","has coordinates","300689","2025-07-06","14:58:10",""
"7250557","12.5568","0.0007","14.1024","0.0008","15.0205","0.0008","62.37","0.001","67.445","0.001","70.213","0.001","2133.9","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Mo4 N4 O19 Zn -","- C36 H32 Mo4 N4 O19 Zn -","- C72 H64 Mo8 N8 O38 Zn2 -","2","1","","Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li","Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB","CrystEngComm","2025","27","26","4547","4554","10.1039/D5CE00354G","","","0.71073","MoKα","","0.0384","0.0313","","","0.0901","0.0946","","","","","","1.048","","","","has coordinates,has disorder","300689","2025-07-06","14:58:19",""
"7250558","12.6641","0.0008","14.0351","0.0009","14.9858","0.001","62.904","0.001","67.23","0.001","69.827","0.001","2139.9","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Fe Mo4 N4 O19 -","- C36 H32 Fe Mo4 N4 O19 -","- C72 H64 Fe2 Mo8 N8 O38 -","2","1","","Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li","Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB","CrystEngComm","2025","27","26","4547","4554","10.1039/D5CE00354G","","","0.71073","MoKα","","0.0479","0.0312","","","0.0668","0.073","","","","","","1.016","","","","has coordinates","300689","2025-07-06","14:58:19",""
"7250561","39.925","0.015","39.925","","39.925","","90","","90","","90","","63641","2","","","294.15","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","PIZOF-2-PNA","","- C36 N3 O23.703 Zr1.5 -","- C36 N3 O23.7029 Zr1.5 -","- C1152 N96 O758.493 Zr48 -","32","0.166667","","Langlois, Kyle R.; Wang, Yangyang; Joshua, Fnu; Newsome, Wesley J.; Zhai, Lei; Harper, James K.; Uribe-Romo, Fernando J.","A multivariate library of zirconia metal–organic frameworks with dissolved p-nitroaniline dipoles and concentration-dependent optical and dielectric response","CrystEngComm","2025","27","26","4463","4469","10.1039/D5CE00299K","powder diffraction","x-ray","1.54051","CuKα~1,2~","","","","","","0.10086","","0.22439","","2.419","","","","","","","has coordinates","300687","2025-07-06","14:57:41",""
"7250571","9.5908","0.0004","9.5908","0.0004","15.7681","0.0008","90","","90","","120","","1256.09","0.1","293","","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C9 H15 Be2 F7 N6 -","- C9 H15 Be2 F7 N6 -","- C27 H45 Be6 F21 N18 -","3","0.166667","","Charkin, Dmitri O.; Ivanov, Semen A.; Kireev, Vadim E.; Gosteva, Alevtina N.; Kompanchenko, Alena A.; Banaru, Alexander M.; Stefanovich, Sergey Yu.; Tananaev, Ivan G.; Aksenov, Sergey M.","(C3H5N2)3[Be2F7]: the first imidazolium fluoroberyllate with a non-centrosymmetric structure based on linear tetrahedral [Be2F7]3− anions","CrystEngComm","2025","27","30","5184","5192","10.1039/D5CE00292C","","x-ray","0.71073","MoKα","","0.0227","0.0208","","","0.022","0.0223","","","","1.31","1.31","1.28","","","","has coordinates","301568","2025-08-05","21:34:40",""
"7250578","9.0381","0.0003","9.7302","0.0002","10.2613","0.0004","101.159","0.002","110.509","0.003","108.369","0.003","753.79","0.05","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N S -","- C19 H17 N S -","- C38 H34 N2 S2 -","2","1","","Yoshino, Riku; Kobayashi, Kazuki; Yang, Peiyuan; Fukumoto, Hiroki; Yasui, Motohiro; Yamada, Shigeyuki; Konno, Tsutomu; Morita, Masato","Engineering visible-to-ultraviolet emission switching of benzothiazole-based mechanoresponsive materials","CrystEngComm","2025","27","32","5398","5403","10.1039/D5CE00379B","","x-ray","0.71073","MoKα","","0.0375","0.0347","","","0.0945","0.0962","","","","","","1.091","","","","has coordinates","302568","2025-10-06","08:24:46",""
"7250579","17.7329","0.0007","18.9012","0.0004","37.568","0.0014","90","","119.535","0.005","90","","10955.5","0.8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N S -","- C19 H17 N S -","- C532 H476 N28 S28 -","28","7","","Yoshino, Riku; Kobayashi, Kazuki; Yang, Peiyuan; Fukumoto, Hiroki; Yasui, Motohiro; Yamada, Shigeyuki; Konno, Tsutomu; Morita, Masato","Engineering visible-to-ultraviolet emission switching of benzothiazole-based mechanoresponsive materials","CrystEngComm","2025","27","32","5398","5403","10.1039/D5CE00379B","","x-ray","0.71073","MoKα","","0.1176","0.0697","","","0.1888","0.2249","","","","","","1.029","","","","has coordinates,has disorder","302568","2025-10-06","08:24:46",""
"7250583","14.2545","0.0007","18.04","0.0008","30.3498","0.0014","91.749","0.003","96.795","0.003","100.827","0.003","7600.6","0.6","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C111 H109 Mn6 N15 O35 -","- C111 H109 Mn6 N15 O35 -","- C222 H218 Mn12 N30 O70 -","2","1","","Sun, Qing; Yang, Chen; Han, Shaoyang; Liu, Xin; Li, Meichao; Shen, Zhenlu","Construction of novel Mn-based metal–organic frameworks for regioselective cross-dehydrogenative coupling of coumarins and dimethylanilines","CrystEngComm","2025","27","29","4985","4991","10.1039/D5CE00478K","","x-ray","1.54178","CuKα","","0.1151","0.0986","","","0.2722","0.2907","","","","","","1.081","","","","has coordinates","301555","2025-08-05","21:31:07",""
"7250585","7.8315","0.0003","8.8391","0.0003","12.7423","0.0005","90","","92.95","0.002","90","","880.9","0.06","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cl N5 O5 -","- C4 H8 Cl N5 O5 -","- C16 H32 Cl4 N20 O20 -","4","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","0.71073","MoKα","","0.0446","0.0372","","","0.0927","0.1005","","","","","","1.071","","","","has coordinates","301557","2025-08-05","21:31:31",""
"7250586","9.9288","0.0004","6.5054","0.0003","24.75","0.001","90","","90","","90","","1598.62","0.12","223","","223","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N6 O4 -","- C4 H8 N6 O4 -","- C32 H64 N48 O32 -","8","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","1.54178","CuKα","","0.0506","0.0444","","","0.1202","0.1246","","","","","","1.087","","","","has coordinates","301557","2025-08-05","21:31:32",""
"7250587","7.3547","0.0002","17.502","0.0004","8.7636","0.0002","90","","109.734","0.001","90","","1061.82","0.05","213","","213","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N8 O7 -","- C5 H8 N8 O7 -","- C20 H32 N32 O28 -","4","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","1.54178","CuKα","","0.0327","0.0311","","","0.0833","0.084","","","","","","1.076","","","","has coordinates","301557","2025-08-05","21:31:32",""
"7250588","11.5773","0.0008","6.4537","0.0005","12.635","0.0009","90","","117.101","0.002","90","","840.39","0.11","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N5 O3 -","- C6 H11 N5 O3 -","- C24 H44 N20 O12 -","4","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","0.71073","MoKα","","0.0821","0.0565","","","0.1345","0.1657","","","","","","1.039","","","","has coordinates","301557","2025-08-05","21:31:32",""
"7250589","12.937","0.0004","7.8904","0.0002","24.4181","0.0009","90","","104.462","0.004","90","","2413.57","0.14","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H6 Fe N6 Na2 O3 -","- C6 H6 Fe N6 Na2 O3 -","- C48 H48 Fe8 N48 Na16 O24 -","8","1","","Lewis, Sam G.; Coulson, Ben A.; Harris, Kenneth D. M.; Warren, Anna J.; Warren, Mark R.; Hatcher, Lauren E.","Controlled microcrystallization for in situ photocrystallography: optimizing crystal size and habit","CrystEngComm","2025","27","29","4965","4975","10.1039/D5CE00367A","","x-ray","1.54184","CuKα","","0.0325","0.029","","","0.0856","0.0875","","","","","","1.044","","","","has coordinates","301556","2025-08-05","21:31:17",""
"7250602","18.813","0.006","17.151","0.005","25.366","0.008","90","","104.339","0.013","90","","7930","4","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cd3.99 N2 Na2 O44 -","- C52 H45.9996 Cd4 N2 Na2 O43.9998 -","- C208 H183.998 Cd16 N8 Na8 O175.999 -","4","0.5","","Xu, Ning; Zhou, Yulong; Shen, Yexin; Li, Rui; Zhang, Qinghua; Zhu, Xiandong","Structurally controllable Cd(ii)-based luminescent metal–organic frameworks for efficient detection of antibiotics in water","CrystEngComm","2025","27","30","5204","5212","10.1039/D5CE00250H","","","0.71073","MoKα","","0.0571","0.0517","","","0.16","0.1672","","","","","","1.066","","","","has coordinates,has disorder","301567","2025-08-05","21:34:31",""
"7250603","20.2245","0.001","24.9058","0.001","17.2568","0.0008","90","","90","","90","","8692.4","0.7","100","2","100.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C52 H66 Cd4 N2 O42 -","- C52 H65.9988 Cd4 N2 O41.9994 -","- C208 H263.995 Cd16 N8 O167.998 -","4","0.25","","Xu, Ning; Zhou, Yulong; Shen, Yexin; Li, Rui; Zhang, Qinghua; Zhu, Xiandong","Structurally controllable Cd(ii)-based luminescent metal–organic frameworks for efficient detection of antibiotics in water","CrystEngComm","2025","27","30","5204","5212","10.1039/D5CE00250H","","","0.71073","MoKα","","0.0785","0.0553","","","0.1436","0.1609","","","","","","1.099","","","","has coordinates,has disorder","301567","2025-08-05","21:34:31",""
"7250605","4.5534","0.0005","11.8134","0.001","12.2013","0.0009","81.384","0.007","88.616","0.007","81.965","0.008","642.54","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N16 O10 -","- C18 H22 N16 O10 -","- C18 H22 N16 O10 -","1","0.5","","Zhang, Xing; Pan, Linhu; Li, Min; Jing, Jianquan; Xia, Honglei; Zhang, Qinghua","Constructing insensitive heat-resistant energetic materials via hydrazo bridge mediated resonance-assisted hydrogen bonds","CrystEngComm","2025","27","29","5021","5029","10.1039/D5CE00494B","","","1.54178","CuKα","","0.1354","0.074","","","0.153","0.1774","","","","","","1.054","","","","has coordinates","301554","2025-08-05","21:30:55",""
"7250606","14.5415","0.0014","7.0417","0.0006","19.3451","0.0016","90","","90","","90","","1980.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","0.71073","MoKα","","0.0826","0.0592","","","0.1167","0.1279","","","","","","1.097","","","","has coordinates","301571","2025-08-05","21:35:45",""
"7250607","11.3436","0.0006","8.3777","0.0004","20.5336","0.0011","90","","90","","90","","1951.38","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 F N2 O3 -","- C10 H7 F N2 O3 -","- C80 H56 F8 N16 O24 -","8","1","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","0.71073","MoKα","","0.0645","0.0445","","","0.0891","0.0979","","","","","","1.069","","","","has coordinates","301571","2025-08-05","21:35:47",""
"7250608","14.8617","0.0014","6.9928","0.0008","19.4887","0.0014","90","","90","","90","","2025.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 F N2 O3 -","- C10 H9 F N2 O3 -","- C80 H72 F8 N16 O24 -","8","1","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","0.71073","MoKα","","0.0852","0.0607","","","0.1205","0.133","","","","","","1.058","","","","has coordinates","301571","2025-08-05","21:35:56",""
"7250609","41.5257","0.0016","12.188","0.0005","7.6472","0.0004","90","","90.053","0.004","90","","3870.4","0.3","288","19","288","19","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C160 H160 N32 O48 -","16","4","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","1.54184","CuKα","","0.1703","0.1195","","","0.2992","0.3429","","","","","","1.094","","","","has coordinates","301571","2025-08-05","21:35:57",""
"7250610","19.8269","0.0013","5.3804","0.0004","9.1694","0.0007","90","","96.462","0.007","90","","971.95","0.12","296","0.9","296","0.9","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C40 H32 N8 O12 -","2","0.5","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","1.54184","CuKα","","0.0942","0.0823","","","0.2312","0.2494","","","","","","1.07","","","","has coordinates","301571","2025-08-05","21:35:58",""
"7250614","11.4114","0.0001","16.1748","0.0001","19.6865","0.0002","113.206","0.001","90.648","0.001","94.667","0.001","3324.89","0.06","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H48 B Cu F20 N4 -","- C73 H48 B Cu F20 N4 -","- C146 H96 B2 Cu2 F40 N8 -","2","1","","Tomita, Ryunosuke; Jin, Mingoo","Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media","CrystEngComm","2025","27","33","5618","5624","10.1039/D5CE00346F","","x-ray","1.54184","CuKα","","0.04","0.0371","","","0.1017","0.1039","","","","","","1.047","","","","has coordinates","302573","2025-10-06","08:26:41",""
"7250615","13.43416","0.00005","19.85881","0.00007","28.77729","0.0001","90","","93.4025","0.0003","90","","7663.86","0.05","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H59 B Cu F24 N4 -","- C81 H59 B Cu F24 N4 -","- C324 H236 B4 Cu4 F96 N16 -","4","1","","Tomita, Ryunosuke; Jin, Mingoo","Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media","CrystEngComm","2025","27","33","5618","5624","10.1039/D5CE00346F","","x-ray","1.54184","CuKα","","0.0788","0.0747","","","0.2116","0.2151","","","","","","1.069","","","","has coordinates","302573","2025-10-06","08:26:41",""
"7250616","12.27189","0.00004","15.93292","0.00004","36.59908","0.00011","90","","98.9216","0.0003","90","","7069.53","0.04","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H56 B Cu F24 N4 -","- C71 H56 B Cu F24 N4 -","- C284 H224 B4 Cu4 F96 N16 -","4","1","","Tomita, Ryunosuke; Jin, Mingoo","Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media","CrystEngComm","2025","27","33","5618","5624","10.1039/D5CE00346F","","x-ray","1.54184","CuKα","","0.0546","0.0541","","","0.1438","0.1442","","","","","","1.05","","","","has coordinates,has disorder","302573","2025-10-06","08:26:41",""
"7250617","8.5444","0.0014","8.9657","0.0016","9.8947","0.0018","65.259","0.005","87.895","0.006","73.816","0.005","658.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N2 O7 Sr -","- C11 H10 N2 O7 Sr -","- C22 H20 N4 O14 Sr2 -","2","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0363","0.0274","","","0.0542","0.0569","","","","","","1.063","","","","has coordinates","302569","2025-10-06","08:25:15",""
"7250618","9.899","0.002","7.3502","0.0015","17.549","0.003","90","","90.527","0.007","90","","1276.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O5 Sr -","- C11 H10 N2 O5 Sr -","- C44 H40 N8 O20 Sr4 -","4","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0255","0.0202","","","0.0427","0.045","","","","","","1.041","","","","has coordinates","302569","2025-10-06","08:25:19",""
"7250619","8.1199","0.0009","11.4685","0.0012","20.653","0.002","90.29","0.004","97.103","0.004","90.402","0.004","1908.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14.5 H11 F6 N3 O5.5 Sr -","- C14.5 H11 F6 N3 O5.5 Sr -","- C58 H44 F24 N12 O22 Sr4 -","4","2","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.102","0.0494","","","0.0821","0.094","","","","","","0.864","","","","has coordinates,has disorder","302569","2025-10-06","08:25:26",""
"7250620","8.3624","0.0003","10.0318","0.0004","11.0092","0.0004","93.106","0.001","90.183","0.001","100.056","0.001","907.96","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br2 N4 O6 Sr -","- C14 H14 Br2 N4 O6 Sr -","- C28 H28 Br4 N8 O12 Sr2 -","2","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.034","0.0248","","","0.0539","0.0575","","","","","","1.059","","","","has coordinates","302569","2025-10-06","08:25:26",""
"7250621","27.3016","0.0004","27.3016","0.0004","13.4005","0.0003","90","","90","","90","","9988.4","0.3","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H15 N5 O6 Sr -","- C14 H15 N5 O6 Sr -","- C224 H240 N80 O96 Sr16 -","16","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","1.54178","CuKα","","0.1232","0.0997","","","0.2693","0.2999","","","","","","1.153","","","","has coordinates,has disorder","302569","2025-10-06","08:25:26",""
"7250622","22.2525","0.0002","22.2525","0.0002","13.4124","0.0002","90","","90","","90","","6641.47","0.13","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H16 N4 O6 Sr -","- C14 H16 N4 O6 Sr -","- C224 H256 N64 O96 Sr16 -","16","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","x-ray","0.67163","synchrotron","","0.0633","0.0538","","","0.1076","0.1123","","","","","","1.159","","","","has coordinates","302569","2025-10-06","08:25:26",""
"7250623","30.943","0.004","5.8323","0.0009","17.507","0.002","90","","90.591","0.005","90","","3159.3","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N4 O6 S Sr -","- C12 H14 N4 O6 S Sr -","- C96 H112 N32 O48 S8 Sr8 -","8","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0789","0.043","","","0.0822","0.0968","","","","","","1.014","","","","has coordinates","302569","2025-10-06","08:25:27",""
"7250624","10.7902","0.0003","17.9102","0.0004","14.8163","0.0004","90","","106.409","0.001","90","","2746.69","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N6 O13 Sr2 -","- C21 H22 N6 O13 Sr2 -","- C84 H88 N24 O52 Sr8 -","4","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0652","0.0357","","","0.0585","0.0681","","","","","","1.046","","","","has coordinates","302569","2025-10-06","08:25:27",""
"7250625","9.9888","0.0005","11.4316","0.0005","12.6577","0.0007","104.81","0.002","94.908","0.002","102.704","0.002","1347.64","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19.5 H13.5 Cu F4.5 N6 O4 S -","- C19.5 H13.5 Cu F4.5 N6 O4 S -","- C39 H27 Cu2 F9 N12 O8 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0913","0.0763","","","0.2162","0.2297","","","","","","1.072","","","","has coordinates,has disorder","300336","2025-07-04","18:58:15",""
"7250626","11.1084","0.0012","12.6501","0.0013","13.3862","0.0013","70.221","0.004","86.43","0.004","85.507","0.004","1763.4","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu N8 O4 S -","- C26 H24 Cu N8 O4 S -","- C52 H48 Cu2 N16 O8 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0605","0.043","","","0.1111","0.1194","","","","","","1.036","","","","has coordinates","300336","2025-07-04","18:58:17",""
"7250627","11.078","0.0005","12.6235","0.0006","13.3342","0.0005","70.642","0.002","86.43","0.002","85.269","0.002","1752.07","0.13","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Cu N8 O4 S -","- C24 H18 Cl2 Cu N8 O4 S -","- C48 H36 Cl4 Cu2 N16 O8 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0765","0.0545","","","0.1539","0.1693","","","","","","1.049","","","","has coordinates","300336","2025-07-04","18:58:17",""
"7250628","12.3984","0.0005","12.6201","0.0006","14.299","0.0006","69.269","0.002","64.997","0.002","64.189","0.002","1785.35","0.14","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu N8 O6 S -","- C26 H24 Cu N8 O6 S -","- C52 H48 Cu2 N16 O12 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0835","0.0671","","","0.191","0.2078","","","","","","1.041","","","","has coordinates,has disorder","300336","2025-07-04","18:58:17",""
"7250629","9.1139","0.0006","10.7892","0.0008","14.2581","0.001","101.387","0.004","94.491","0.004","97.68","0.004","1354.17","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N3 S -","- C34 H29 N3 S -","- C68 H58 N6 S2 -","2","1","","Afrin, A.; P, Chinna Ayya Swamy","Structural modulations: unraveling the impact of benzothiazole positions on the optical properties of carbazole–cyanostilbenes","CrystEngComm","2025","27","22","3664","3674","10.1039/D5CE00132C","","","0.71073","MoKα","","0.1792","0.0705","","","0.1671","0.2179","","","","","","1.03","","","","has coordinates","300337","2025-07-04","18:59:49",""
"7250630","10.192","0.003","13.023","0.004","13.452","0.004","94.774","0.008","105.146","0.008","94.739","0.007","1707.3","0.9","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","Vandetanib Ibuprofen","4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)-1-methylpiperidin-1-ium 2-(4-isobutylphenyl)propanoate","","- C35 H42 Br F N4 O4 -","- C35 H42 Br F N4 O4 -","- C70 H84 Br2 F2 N8 O8 -","2","1","","Abishek, K. G.; Kenguva, Gowtham; Giri, Lopamudra; Venkat Shivaji Ramarao, E. V.; Dhilli Rao, Gorja; Dandela, Rambabu","A current insight into the drug–drug molecular adducts of an anti-cancer drug vandetanib with various NSAIDs","CrystEngComm","2025","27","19","2998","3005","10.1039/D5CE00070J","","","0.71073","MoKα","","0.1242","0.0728","","","0.1808","0.2135","","","","","","1.026","","","","has coordinates","300338","2025-07-04","19:02:55",""
"7250631","12.7596","0.001","12.7738","0.001","13.177","0.0011","110.597","0.002","90.033","0.002","118.704","0.002","1725.4","0.2","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","Vandetanib Mefenamic acid","4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)-1-methylpiperidin-1-ium 2-((2,3-dimethylphenyl)amino)benzoate","","- C37 H39 Br F N5 O4 -","- C37 H39 Br F N5 O4 -","- C74 H78 Br2 F2 N10 O8 -","2","1","","Abishek, K. G.; Kenguva, Gowtham; Giri, Lopamudra; Venkat Shivaji Ramarao, E. V.; Dhilli Rao, Gorja; Dandela, Rambabu","A current insight into the drug–drug molecular adducts of an anti-cancer drug vandetanib with various NSAIDs","CrystEngComm","2025","27","19","2998","3005","10.1039/D5CE00070J","","","0.71073","MoKα","","0.1093","0.0643","","","0.1377","0.1606","","","","","","1.009","","","","has coordinates","300338","2025-07-04","19:02:58",""
"7250632","15.0312","0.0006","9.3081","0.0004","19.6029","0.0008","90","","101.075","0.004","90","","2691.6","0.2","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl2 Cu N6 O11 -","- C21 H24 Cl2 Cu N6 O11 -","- C84 H96 Cl8 Cu4 N24 O44 -","4","1","","Zhao, Bin-shan; Zhang, Chao; Lu, Zu-jia; Dong, Wen-shuai; Xu, Mei-qi; Li, Cong; Yu, Qi-yao; Zhang, Jian-guo","Comparative study of two copper perchlorate hydrazide complexes: impact of coordination chemistry on laser sensitivity and energetic properties","CrystEngComm","2025","27","19","3032","3040","10.1039/D5CE00148J","","x-ray","0.71073","MoKα","","0.1064","0.0697","","","0.1688","0.2031","","","","","","1.05","","","","has coordinates","300339","2025-07-04","19:03:19",""
"7250633","9.9076","0.0008","7.1785","0.0005","14.717","0.002","90","","108.113","0.012","90","","994.83","0.18","119.75","0.1","119.75","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl2 Cu N4 O10 -","- C14 H16 Cl2 Cu N4 O10 -","- C28 H32 Cl4 Cu2 N8 O20 -","2","0.5","","Zhao, Bin-shan; Zhang, Chao; Lu, Zu-jia; Dong, Wen-shuai; Xu, Mei-qi; Li, Cong; Yu, Qi-yao; Zhang, Jian-guo","Comparative study of two copper perchlorate hydrazide complexes: impact of coordination chemistry on laser sensitivity and energetic properties","CrystEngComm","2025","27","19","3032","3040","10.1039/D5CE00148J","","x-ray","0.71073","MoKα","","0.049","0.0392","","","0.0766","0.084","","","","","","1.06","","","","has coordinates","300339","2025-07-04","19:03:20",""
"7250634","7.553","0.0007","9.3446","0.0006","9.6219","0.0007","86.478","0.006","66.993","0.008","71.718","0.007","592.09","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H5 Br4 N2 S Sb -","- C3 H5 Br4 N2 S Sb -","- C6 H10 Br8 N4 S2 Sb2 -","2","1","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","","0.71073","MoKα","","0.0703","0.0507","","","0.1119","0.1195","","","","","","1.003","","","","has coordinates","300340","2025-07-04","19:07:32",""
"7250635","13.5885","0.0009","13.4694","0.001","7.5873","0.0005","90","","120.686","0.006","90","","1194.25","0.16","387.9","0.3","387.9","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Br4 N2 S Sb -","- C3 H5 Br4 N2 S Sb -","- C12 H20 Br16 N8 S4 Sb4 -","4","0.5","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","x-ray","0.71073","MoKα","","0.0593","0.0361","","","0.0958","0.1047","","","","","","1.008","","","","has coordinates,has disorder","300340","2025-07-04","19:07:32",""
"7250636","13.4541","0.0004","13.6664","0.0004","7.5122","0.0002","90","","118.77","0.002","90","","1210.76","0.06","393.02","0.1","393.02","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Bi Br4 N2 S -","- C3 H5 Bi Br4 N2 S -","- C12 H20 Bi4 Br16 N8 S4 -","4","0.5","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","x-ray","1.54178","CuKα","","0.08","0.0756","","","0.2079","0.2158","","","","","","1.119","","","","has coordinates,has disorder","300340","2025-07-04","19:07:33",""
"7250637","8.9986","0.0007","17.8803","0.0011","7.3616","0.0007","90","","95.761","0.008","90","","1178.48","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Bi Br4 N2 S -","- C3 H5 Bi Br4 N2 S -","- C12 H20 Bi4 Br16 N8 S4 -","4","1","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","","0.71073","MoKα","","0.0709","0.0556","","","0.1323","0.138","","","","","","1.044","","","","has coordinates","300340","2025-07-04","19:07:33",""
"7250638","12.6355","0.0006","14.5471","0.0007","15.0531","0.0007","61.623","0.002","70.727","0.002","67.089","0.002","2206.18","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H63.5 Cl1.5 N5 O4 -","- C46 H63.5 Cl1.5 N5 O4 -","- C92 H127 Cl3 N10 O8 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","x-ray","1.34139","Synchrotron","GaKα","0.0637","0.0536","","","0.1449","0.1526","","","","","","1.057","","","","has coordinates,has disorder","300341","2025-07-04","19:09:45",""
"7250639","13.5541","0.001","25.3522","0.0019","15.2379","0.0011","90","","104.797","0.003","90","","5062.5","0.6","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C47 H59 N6 O4 -","- C47 H59 N6 O4 -","- C188 H236 N24 O16 -","4","0.5","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0539","0.0468","","","0.1474","0.1516","","","","","","1.095","","","","has coordinates,has disorder","300341","2025-07-04","19:09:48",""
"7250640","12.8152","0.0005","14.8332","0.0006","14.9878","0.0006","96.264","0.001","111.759","0.001","113.286","0.001","2318.8","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H60 N5 O5 -","- C47 H60 N5 O5 -","- C94 H120 N10 O10 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.074","0.0592","","","0.1792","0.1943","","","","","","1.06","","","","has coordinates","300341","2025-07-04","19:09:50",""
"7250641","15.1531","0.0009","17.6198","0.0011","19.7365","0.0012","102.794","0.002","90.793","0.002","113.6","0.002","4677.8","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H134 Cl4 N10 O12 -","- C92 H134 Cl4 N10 O12 -","- C184 H268 Cl8 N20 O24 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34138","GaKα","","0.076","0.0727","","","0.1909","0.1933","","","","","","1.035","","","","has coordinates,has disorder","300341","2025-07-04","19:09:50",""
"7250642","12.1297","0.0006","14.6354","0.0007","15.2121","0.0007","104.844","0.001","113.237","0.001","90.513","0.002","2380.1","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H69 N5 O6 -","- C49 H69 N5 O6 -","- C98 H138 N10 O12 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0562","0.0515","","","0.1409","0.1458","","","","","","1.045","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250643","12.1319","0.0006","14.3099","0.0007","15.1788","0.0007","102.738","0.001","110.436","0.001","93.011","0.002","2384.2","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 N5 O5 -","- C48 H62 N5 O5 -","- C96 H124 N10 O10 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0741","0.0632","","","0.1992","0.2143","","","","","","1.072","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250644","12.1303","0.0006","14.6397","0.0006","15.2164","0.0006","104.299","0.001","111.887","0.001","92.417","0.002","2402.51","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 N5 O6 -","- C48 H62 N5 O6 -","- C96 H124 N10 O12 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0599","0.0547","","","0.172","0.1795","","","","","","1.04","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250645","15.361","0.002","17.925","0.003","19.975","0.003","103.894","0.005","91.039","0.005","114.731","0.005","4805.4","1.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H118 Cl8 N10 O10 -","- C94 H118 Cl8 N10 O10 -","- C188 H236 Cl16 N20 O20 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0873","0.0652","","","0.1855","0.1977","","","","","","1.082","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250646","14.8218","0.0017","15.0041","0.0018","24.178","0.003","99.601","0.006","94.15","0.005","118.184","0.005","4601.8","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H131 N10 O10 -","- C98 H131 N10 O10 -","- C196 H262 N20 O20 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.1634","0.1456","","","0.349","0.3616","","","","","","1.07","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250647","8.3995","0.0004","10.924","0.0005","38.1055","0.0019","90","","96.154","0.001","90","","3476.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl Hg N2 S16 Se2 -","- C22 H16 Cl Hg N2 S16 Se2 -","- C88 H64 Cl4 Hg4 N8 S64 Se8 -","4","1","","Henderson, A.; Razpopov, A.; Biswas, S.; Valentí, R.; Cui, H.; Kato, R.; Wei, K.; van Tol, J.; Siegrist, T.; Schlueter, J. A.","One-dimensional antiferromagnetic chain in the cation radical salt α-(BEDT-TTF)2Hg(SeCN)2Cl","CrystEngComm","2025","27","18","2805","2809","10.1039/D5CE00007F","","x-ray","0.41328","synchrotron","","0.0451","0.0346","","","0.079","0.0812","","","","","","0.921","","","","has coordinates","300342","2025-07-04","19:10:47",""
"7250648","10.064","0.002","14.486","0.002","20.686","0.006","90","","90","","90","","3015.8","1.1","303","","303","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H18 B3 F12 N3 -","- C5 H18 B3 F12 N3 -","- C40 H144 B24 F96 N24 -","8","1","","Zhang, Feng-Wen; Xie, Yu-Lan; Liu, Pei-Guo; Li, Meng-Qiang; Yang, Yi-Xuan; Ni, Hao-Fei; Teri, Gele; Zhu, Ming; Wang, Chang-Feng; Zhang, Yi; Fu, Da-Wei","Three-dimensional metal-free perovskite with switchable dielectric behaviors","CrystEngComm","2025","27","18","2810","2814","10.1039/D5CE00294J","","","1.54184","CuKα","","0.1496","0.1035","","","0.218","0.2488","","","","","","1.022","","","","has coordinates,has disorder","300343","2025-07-04","19:11:49",""
"7250649","10.449","0.003","10.169","0.003","14.541","0.006","90","","90","","90","","1545.1","0.9","393.15","","393.15","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C5 B3 F12 N3 -","- C5 B3 F12 N3 -","- C20 B12 F48 N12 -","4","0.25","","Zhang, Feng-Wen; Xie, Yu-Lan; Liu, Pei-Guo; Li, Meng-Qiang; Yang, Yi-Xuan; Ni, Hao-Fei; Teri, Gele; Zhu, Ming; Wang, Chang-Feng; Zhang, Yi; Fu, Da-Wei","Three-dimensional metal-free perovskite with switchable dielectric behaviors","CrystEngComm","2025","27","18","2810","2814","10.1039/D5CE00294J","","","1.54184","CuKα","","0.1953","0.1458","","","0.3044","0.3346","","","","","","1.007","","","","has coordinates,has disorder","300343","2025-07-04","19:11:50",""
"7250650","9.0492","0.0003","9.5052","0.0004","9.9724","0.0003","62.525","0.004","75.236","0.003","80.607","0.003","734.86","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 N4 -","- C18 H16 N4 -","- C36 H32 N8 -","2","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","1.54184","CuKα","","0.0444","0.0391","","","0.1008","0.1042","","","","","","1.056","","","","has coordinates","300344","2025-07-04","19:13:06",""
"7250651","18.149","0.004","9.6466","0.0019","9.3799","0.0019","90","","93.06","0.03","90","","1639.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C72 H80 N16 O8 -","4","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","0.71073","MoKα","","0.088","0.0581","","","0.1178","0.1299","","","","","","1.056","","","","has coordinates","300344","2025-07-04","19:13:08",""
"7250652","20.541","0.0004","5.4683","0.0001","26.6872","0.0005","90","","102.478","0.002","90","","2926.82","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N4 O0.5 -","- C18 H17 N4 O0.5 -","- C144 H136 N32 O4 -","8","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","1.54184","CuKα","","0.0422","0.0371","","","0.0936","0.0973","","","","","","1.046","","","","has coordinates","300344","2025-07-04","19:13:08",""
"7250653","9.7262","0.0001","10.1281","0.0001","31.3817","0.0005","90","","90","","90","","3091.35","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N4 O -","- C18 H18 N4 O -","- C144 H144 N32 O8 -","8","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","1.54184","CuKα","","0.0428","0.0383","","","0.103","0.1061","","","","","","1.039","","","","has coordinates","300344","2025-07-04","19:13:08",""
"7250654","13.814","0.004","18.929","0.005","19.532","0.005","67.633","0.01","81.377","0.011","86.179","0.01","4669","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H186 Bi2 Co4 O20 S16 -","- C164 H186 Bi2 Co4 O20 S16 -","- C164 H186 Bi2 Co4 O20 S16 -","1","0.5","","Chen, Tianxia; Zou, Yuhan; Mao, Dongao; Bi, Yanfeng","Bismuth-based heterometallic clusters capped by thiacalixarene for visible-light photothermal conversion","CrystEngComm","2025","27","21","3528","3536","10.1039/D5CE00325C","","","0.71073","MoKα","","0.044","0.0369","","","0.1027","0.1065","","","","","","1.031","","","","has coordinates","300345","2025-07-04","19:13:35",""
"7250655","13.8454","0.001","19.0729","0.0013","19.6074","0.0014","67.17","0.003","80.576","0.003","85.808","0.003","4707.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H186 Bi2 Ni4 O20 S16 -","- C164 H186 Bi2 Ni4 O20 S16 -","- C164 H186 Bi2 Ni4 O20 S16 -","1","0.5","","Chen, Tianxia; Zou, Yuhan; Mao, Dongao; Bi, Yanfeng","Bismuth-based heterometallic clusters capped by thiacalixarene for visible-light photothermal conversion","CrystEngComm","2025","27","21","3528","3536","10.1039/D5CE00325C","","","0.71073","MoKα","","0.0776","0.0577","","","0.155","0.1682","","","","","","1.035","","","","has coordinates","300345","2025-07-04","19:13:36",""
"7250656","5.4271","0.0003","6.512","0.0004","16.5542","0.001","99.824","0.002","94.165","0.002","99.031","0.002","566.34","0.06","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cl4 I2 O4 -","- C20 H12 Cl4 I2 O4 -","- C20 H12 Cl4 I2 O4 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Hierarchy and cooperativity between π-type halogen bonds and aromatic carboxylic acid dimers in co-crystal formation","CrystEngComm","2025","27","30","5100","5103","10.1039/D5CE00551E","","","0.71073","MoKα","","0.0255","0.0212","","","0.0462","0.0482","","","","","","1.074","","","","has coordinates","301572","2025-08-05","21:36:04",""
"7250657","5.3023","0.0002","6.6859","0.0003","18.7003","0.0009","87.26","0.002","82.172","0.001","82.178","0.002","650.36","0.05","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl4 I2 O4 -","- C24 H16 Cl4 I2 O4 -","- C24 H16 Cl4 I2 O4 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Hierarchy and cooperativity between π-type halogen bonds and aromatic carboxylic acid dimers in co-crystal formation","CrystEngComm","2025","27","30","5100","5103","10.1039/D5CE00551E","","","0.71073","MoKα","","0.0258","0.0222","","","0.0501","0.0523","","","","","","1.05","","","","has coordinates,has disorder","301572","2025-08-05","21:36:04",""
"7250664","9.7752","0.001","11.4458","0.0012","24.731","0.003","94.352","0.003","93.154","0.003","108.044","0.003","2614.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57.8 H52.8 Br2 Cl2.39 N4 O11 -","- C57.795 H52.795 Br2 Cl2.385 N4 O11 -","- C115.59 H105.59 Br4 Cl4.77 N8 O22 -","2","1","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0357","0.0343","","","0.0885","0.0907","","","","","","1.025","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250665","16.4443","0.0005","16.6197","0.0005","17.6078","0.0006","113.668","0.002","105.994","0.002","92.943","0.002","4164.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 N4 O9 -","- C48 H50 N4 O9 -","- C192 H200 N16 O36 -","4","2","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.1505","0.0918","","","0.2143","0.2668","","","","","","1.053","","","","has coordinates","301558","2025-08-05","21:31:52",""
"7250666","9.667","0.0008","22.9197","0.0019","15.4712","0.0013","90","","98.877","0.003","90","","3386.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C59 H51 Br2 Cl15 N4 O10 -","- C59 H51 Br2 Cl15 N4 O10 -","- C118 H102 Br4 Cl30 N8 O20 -","2","0.5","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0622","0.0573","","","0.1451","0.1494","","","","","","1.056","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250667","9.7166","0.0006","11.3692","0.0007","24.7966","0.0016","94.639","0.002","92.734","0.002","107.934","0.002","2590","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 Br2 N4 O12 -","- C60 H58 Br2 N4 O12 -","- C120 H116 Br4 N8 O24 -","2","1","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0261","0.0256","","","0.068","0.0683","","","","","","1.065","","","","has coordinates","301558","2025-08-05","21:31:52",""
"7250668","9.59","0.002","15.202","0.004","18.069","0.003","107.935","0.014","95.42","0.014","92.865","0.017","2486.3","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C103.5 H93.75 Br2 Cl9.75 N8 O16.75 -","- C103.5 H93.75 Br2 Cl9.75 N8 O16.75 -","- C103.5 H93.75 Br2 Cl9.75 N8 O16.75 -","1","0.5","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0563","0.0529","","","0.1358","0.1394","","","","","","1.117","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250669","9.3975","0.0006","23.0975","0.0014","27.7307","0.0017","90","","97.683","0.003","90","","5965.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Cl12 N4 O10 -","- C58 H52 Cl12 N4 O10 -","- C232 H208 Cl48 N16 O40 -","4","1","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.1061","0.0909","","","0.272","0.2905","","","","","","1.037","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250670","9.7937","0.0007","14.0371","0.0009","15.0676","0.0009","95.549","0.002","101.064","0.002","109.809","0.002","1883.1","0.2","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","1D Zn-Mof","","- C30 H33 N12 O15 Zn2 -","- C30 H33 N12 O15 Zn2 -","- C60 H66 N24 O30 Zn4 -","2","1","","Chaudhary, Palak; Thakur, Sahil; Singh, Raghubir; Kaur, Varinder","Cu- and Zn-based 1D MOFs as hosts to encapsulate Eu(iii) for tuning white light emission","CrystEngComm","2025","27","35","5819","5829","10.1039/D5CE00448A","","","0.71073","MoKα","","0.0745","0.0656","","","0.1949","0.2019","","","","","","1.07","","","","has coordinates","302586","2025-10-06","08:32:57",""
"7250671","9.848","0.0005","6.9721","0.0003","26.2496","0.0013","90","","95.371","0.001","90","","1794.42","0.15","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cu N6 O7 -","- C15 H15 Cu N6 O7 -","- C60 H60 Cu4 N24 O28 -","4","1","","Chaudhary, Palak; Thakur, Sahil; Singh, Raghubir; Kaur, Varinder","Cu- and Zn-based 1D MOFs as hosts to encapsulate Eu(iii) for tuning white light emission","CrystEngComm","2025","27","35","5819","5829","10.1039/D5CE00448A","","","0.71073","MoKα","","0.0863","0.0848","","","0.2298","0.2307","","","","","","1.104","","","","has coordinates","302586","2025-10-06","08:32:57",""
"7250672","24.8816","0.00003","24.8816","","24.8816","","90","","90","","90","","15404","0.019","","","293","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al0.6 K0.593 O4.04 Si1.4 -","- Al0.6 K0.59255 O4.04033 Si1.4 -","- Al57.6 K56.8848 O387.872 Si134.4 -","96","0.5","","Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis","3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite","CrystEngComm","2025","27","30","5095","5099","10.1039/D5CE00520E","powder diffraction","x-ray","0.35442","","","","","","","0.04029","","0.06627","","4.074","","","","","","","has coordinates","301569","2025-08-05","21:35:09",""
"7250673","13.6085","0.0004","13.6085","0.0004","12.7623","0.0005","90","","90","","120","","2046.82","0.12","153","2","153","","","","","","","","","4","P 63/m","-P 6c","176","Eisen-MOF mit Fumarsaeure","","","- C12 H12 Fe3 O16 -","- C12 H12 Fe3 O16 -","- C24 H24 Fe6 O32 -","2","0.166667","","Schumann, Erik; Störr, Bianca; Böhme, Uwe; Walter, Dominic; Mertens, Florian","A method for controlled growth of large MIL-88A crystals","CrystEngComm","2025","27","32","5404","5412","10.1039/D5CE00498E","","x-ray","0.71073","MoKα","","0.0737","0.0683","","","0.219","0.2242","","","","","","1.064","","","","has coordinates","302567","2025-10-06","08:24:32",""
"7250682","8.7794","0.0003","10.2396","0.0004","20.7518","0.0008","90","","90","","90","","1865.54","0.12","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 N6 O7 -","- C12 H28 N6 O7 -","- C48 H112 N24 O28 -","4","1","","Chen, Lei; Shen, Zhili; Kong, Deren; Zhang, Chong; Hu, Bingcheng; Gao, Chao","Improving the anti-hygroscopicity and safety of hydroxylamine pentazolate salt (NH3OH+N5−) by cocrystallization","CrystEngComm","2025","27","31","5312","5318","10.1039/D5CE00437C","","","1.54178","CuKα","","0.0509","0.0398","","","0.1038","0.1109","","","","","","1.043","","","","has coordinates","302575","2025-10-06","08:27:38",""
"7250683","3.7631","0.0002","14.7655","0.0007","7.6847","0.0004","90","","96.582","0.002","90","","424.18","0.04","193","","193","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- H4 N6 O -","- H4 N6 O -","- H16 N24 O4 -","4","1","","Chen, Lei; Shen, Zhili; Kong, Deren; Zhang, Chong; Hu, Bingcheng; Gao, Chao","Improving the anti-hygroscopicity and safety of hydroxylamine pentazolate salt (NH3OH+N5−) by cocrystallization","CrystEngComm","2025","27","31","5312","5318","10.1039/D5CE00437C","","","0.71073","MoKα","","0.0355","0.0293","","","0.0781","0.0813","","","","","","1.077","","","","has coordinates","302575","2025-10-06","08:27:39",""
"7250684","8.9073","0.0006","16.8666","0.0011","20.2753","0.0013","67.857","0.006","87.035","0.006","77.872","0.006","2757.2","0.3","117.95","0.1","117.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 I N3 O2 -","- C3 H2 I N3 O2 -","- C54 H36 I18 N54 O36 -","18","9","","Li, Cong; Lu, Zu-jia; Zhang, Chao; Xu, Mei-qi; Zhao, Bin-shan; Yu, Qi-yao; Zhang, Jian-guo","Noncovalent synergistic-directed crystallization (NSDC): a halogen engineering strategy for multifunctional energetic crystals","CrystEngComm","2025","27","31","5346","5355","10.1039/D5CE00606F","","x-ray","0.71073","MoKα","","0.1125","0.0632","","","0.0943","0.1249","","","","","","1.037","","","","has coordinates","302576","2025-10-06","08:27:48",""
"7250685","6.84","0.0003","18.3788","0.0008","7.3602","0.0004","90","","99.49","0.004","90","","912.6","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 F2 N4 O2 -","- C8 H6 F2 N4 O2 -","- C32 H24 F8 N16 O8 -","4","1","","Li, Cong; Lu, Zu-jia; Zhang, Chao; Xu, Mei-qi; Zhao, Bin-shan; Yu, Qi-yao; Zhang, Jian-guo","Noncovalent synergistic-directed crystallization (NSDC): a halogen engineering strategy for multifunctional energetic crystals","CrystEngComm","2025","27","31","5346","5355","10.1039/D5CE00606F","","x-ray","1.54184","CuKα","","0.0386","0.0351","","","0.0941","0.0964","","","","","","1.024","","","","has coordinates","302576","2025-10-06","08:27:48",""
"7250686","8.4393","0.0004","9.9752","0.0006","16.3986","0.0008","90","","90","","90","","1380.49","0.13","296","2","296","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C14 H11 N O5 U -","- C14 H11 N O5 U -","- C56 H44 N4 O20 U4 -","4","1","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.021","0.0186","","","0.0413","0.0422","","","","","","1.09","","","","has coordinates","302572","2025-10-06","08:26:17",""
"7250687","10.7194","0.0006","13.6309","0.0008","14.1063","0.0006","66.313","0.002","70.931","0.002","80.904","0.002","1783.07","0.17","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H54 N4 O30 U5 -","- C72 H54 N4 O30 U5 -","- C72 H54 N4 O30 U5 -","1","0.5","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.065","0.0332","","","0.0545","0.0642","","","","","","1.005","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250688","9.1929","0.0014","9.9213","0.0015","10.3415","0.0014","78.599","0.006","83.835","0.006","82.331","0.007","913.1","0.2","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N3 O10 U -","- C15 H13 N3 O10 U -","- C30 H26 N6 O20 U2 -","2","1","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.0297","0.026","","","0.0601","0.062","","","","","","1.043","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250689","28.6995","0.0014","9.0816","0.0004","19.7705","0.001","90","","119.402","0.001","90","","4489.2","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N6 O18 U2 -","- C42 H36 N6 O18 U2 -","- C168 H144 N24 O72 U8 -","4","0.5","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.0824","0.0486","","","0.0809","0.0906","","","","","","1.046","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250690","17.339","0.0009","7.1155","0.0004","19.8403","0.0012","90","","99.829","0.002","90","","2411.9","0.2","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 N4 O14 U2 -","- C56 H44 N4 O14 U2 -","- C112 H88 N8 O28 U4 -","2","0.5","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.0404","0.0281","","","0.0478","0.0508","","","","","","1.055","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250691","12.9936","0.0013","14.0664","0.0017","14.0763","0.0016","100.371","0.004","96.142","0.004","95.899","0.004","2496.5","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 N2 O22 U4 -","- C46 H34 N2 O22 U4 -","- C92 H68 N4 O44 U8 -","2","1","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","x-ray","0.71073","MoKα","","0.0209","0.0199","","","0.0441","0.0445","","","","","","1.051","","","","has coordinates,has disorder","302572","2025-10-06","08:26:18",""
"7250697","25.8779","0.0006","25.8779","0.0006","11.7846","0.0005","90","","90","","90","","7891.7","0.4","100","0.1","100","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C80 H76 N10 O27 Zn4 -","- C80 H76 N10 O27 Zn4 -","- C320 H304 N40 O108 Zn16 -","4","0.25","","You, Li-Xin; Wang, Xin-Yu; Li, Jin-Rong; Guo, Jie; Xiong, Gang; ding, Fu; Sun, Ya-Guang","Transformation of carbon dioxide catalyzed using an N-heterocyclic carbene copper(i)-embedded metal–organic framework","CrystEngComm","2025","27","33","5625","5632","10.1039/D5CE00627A","","x-ray","0.71073","MoKα","","0.1426","0.1196","","","0.3583","0.3892","","","","","","1.14","","","","has coordinates,has disorder","302571","2025-10-06","08:26:00",""
"7250699","24.367","0.002","9.7487","0.0008","20.9451","0.0017","90","","108.1","0.003","90","","4729.2","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl6 Dy N4 O5 P -","- C48 H34 Cl6 Dy N4 O5 P -","- C192 H136 Cl24 Dy4 N16 O20 P4 -","4","1","","Zhang, Kun-Hua; He, Zhi; Huang, Long; Yu, Xing-Yi; Zhao, Bingshan; Yang, Jiong; Shao, Dong","Engineering dysprosium(iii) single-ion magnets via modular synthesis with strongly axial ligands","CrystEngComm","2025","27","34","5662","5668","10.1039/D5CE00636H","","x-ray","0.71073","MoKα","","0.036","0.0296","","","0.0666","0.0698","","","","","","1.065","","","","has coordinates,has disorder","302591","2025-10-06","08:34:02",""
"7250700","24.347","0.003","9.7398","0.0011","20.919","0.002","90","","108.079","0.003","90","","4715.7","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl6 Dy N4 O5 Si -","- C48 H34 Cl6 Dy N4 O5 Si -","- C192 H136 Cl24 Dy4 N16 O20 Si4 -","4","1","","Zhang, Kun-Hua; He, Zhi; Huang, Long; Yu, Xing-Yi; Zhao, Bingshan; Yang, Jiong; Shao, Dong","Engineering dysprosium(iii) single-ion magnets via modular synthesis with strongly axial ligands","CrystEngComm","2025","27","34","5662","5668","10.1039/D5CE00636H","","x-ray","0.71073","MoKα","","0.0625","0.0355","","","0.0692","0.0796","","","","","","1.001","","","","has coordinates,has disorder","302591","2025-10-06","08:34:12",""
"7250701","12.463","0.003","17.373","0.004","21.406","0.004","101.92","0.03","95.66","0.03","101.39","0.03","4398.4","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C203 H135 Co4 N48 O5 S8 -","- C203 H135 Co4 N48 O5 S8 -","- C203 H135 Co4 N48 O5 S8 -","1","0.5","","Sangrador-Pérez, Jorge; Jiménez-Hernández, Patricia; Hernández, Mar García; Sañudo, E. Carolina; Costa, Jose Sanchez; Resines-Urien, Esther","Colorimetric and luminescent sensing of DMF by crystalline non-porous pyrene-based coordination compounds","CrystEngComm","2025","27","31","5286","5291","10.1039/D5CE00600G","","","0.72931","Synchrotron","","0.0956","0.0727","","","0.2016","0.2244","","","","","","1.047","","","","has coordinates","302574","2025-10-06","08:27:23",""
"7250703","14.5393","0.0006","7.7694","0.0003","17.4897","0.0008","90","","94.017","0.002","90","","1970.81","0.14","193","","193","","","","","","","","","6","P 1 n 1","P -2yac","7","","Ni-TSC-COOH","","- C34 H52 N10 Ni O4 S2 -","- C34 H52 N10 Ni O4 S2 -","- C68 H104 N20 Ni2 O8 S4 -","2","1","","Gu, Yu-Hao; Xu, Xinyu; Zhu, Chenyu; Luo, Rengan; Yuan, Shuai","Stepwise assembly of Ni–N2S2 catalytic sites and porphyrin photosensitizers in a metal–organic framework for bioinspired photocatalysis","CrystEngComm","2025","27","35","5841","5847","10.1039/D5CE00634A","","","0.71073","MoKα","","0.056","0.0492","","","0.1179","0.1243","","","","","","1.058","","","","has coordinates,has disorder","302587","2025-10-06","08:33:05",""
"7250704","19.9774","0.0009","11.3313","0.0006","8.0463","0.0003","90","","109.438","0.002","90","","1717.62","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N2 O9 Zn -","- C14 H17 N2 O9 Zn -","- C56 H68 N8 O36 Zn4 -","4","0.5","","Shabangu, Samuel M.; Eaby, Alan C.; Croitor, Lilia; Bezrukov, Andrey A.; Zaworotko, Michael J.","Water vapour sorption properties of a family of square lattice topology porous coordination networks.","CrystEngComm","2025","27","34","5669","5675","10.1039/d5ce00385g","","","0.71073","MoKα","","0.0979","0.0545","","","0.1076","0.1249","","","","","","1.013","","","","has coordinates,has disorder","302590","2025-10-06","08:33:48",""
"7250705","19.654","0.003","11.4262","0.0014","7.961","0.0009","90","","112.118","0.005","90","","1656.2","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 O8 Zn -","- C14 H18 N2 O8 Zn -","- C56 H72 N8 O32 Zn4 -","4","0.5","","Shabangu, Samuel M.; Eaby, Alan C.; Croitor, Lilia; Bezrukov, Andrey A.; Zaworotko, Michael J.","Water vapour sorption properties of a family of square lattice topology porous coordination networks.","CrystEngComm","2025","27","34","5669","5675","10.1039/d5ce00385g","","","0.71075","MoKα","","0.1457","0.0722","","","0.145","0.1664","","","","","","1.022","","","","has coordinates,has disorder","302590","2025-10-06","08:33:49",""
"7250706","8.6985","0.0002","12.5843","0.0004","15.8735","0.0005","84.8","0.001","79.432","0.001","88.07","0.001","1700.82","0.09","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 Cl4 N4 Zn -","- C10 H18 Cl4 N4 Zn -","- C40 H72 Cl16 N16 Zn4 -","4","2","","Hempel, Jacob L.; Wells, Michael D.; Parkin, Sean; Cheng, Yang-Tse; Huckaba, Aron J.","Understanding the relationship between the crystal structure elastic–plastic properties of discrete-molecule organic–inorganic halide perovskites","CrystEngComm","2025","27","34","5743","5751","10.1039/D5CE00716J","","","0.71073","MoKα","","0.0204","0.0187","","","0.0453","0.046","","","","","","1.056","","","","has coordinates,has disorder","302588","2025-10-06","08:33:18",""
"7250707","12.9534","0.0004","8.1094","0.0002","14.0848","0.0005","90","","91.692","0.001","90","","1478.88","0.08","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl4 N4 Zn -","- C8 H14 Cl4 N4 Zn -","- C32 H56 Cl16 N16 Zn4 -","4","1","","Hempel, Jacob L.; Wells, Michael D.; Parkin, Sean; Cheng, Yang-Tse; Huckaba, Aron J.","Understanding the relationship between the crystal structure elastic–plastic properties of discrete-molecule organic–inorganic halide perovskites","CrystEngComm","2025","27","34","5743","5751","10.1039/D5CE00716J","","","0.71073","MoKα","","0.0299","0.0222","","","0.049","0.0516","","","","","","1.036","","","","has coordinates","302588","2025-10-06","08:33:18",""
"7250713","5.19055","0.00019","5.19055","0.00019","11.151","0.006","90","","90","","120","","260.18","0.14","293","2","293","2","5650000","50000","5650000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0255","0.0253","","","0.0722","0.0722","","","","","","1.276","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250714","5.1506","0.0005","5.1506","0.0005","10.696","0.018","90","","90","","120","","245.7","0.4","293","2","293","2","9120000","50000","9120000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0235","0.0232","","","0.0717","0.0719","","","","","","1.22","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250715","5.1237","0.0006","5.1237","0.0006","10.62","0.02","90","","90","","120","","241.4","0.5","293","2","293","2","10890000","50000","10890000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0327","0.0316","","","0.0892","0.0893","","","","","","1.266","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250716","5.1774","0.0002","5.1774","0.0002","10.969","0.007","90","","90","","120","","254.64","0.16","293","2","293","2","6900000","50000","6900000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0244","0.0243","","","0.0741","0.0741","","","","","","1.285","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250717","5.1364","0.0006","5.1364","0.0006","10.63","0.02","90","","90","","120","","242.9","0.5","293","2","293","2","10010000","50000","10010000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0275","0.0271","","","0.0681","0.0681","","","","","","1.222","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250718","5.1636","0.0003","5.1636","0.0003","10.89","0.009","90","","90","","120","","251.5","0.2","293","2","293","2","7650000","50000","7650000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0221","0.022","","","0.0635","0.0635","","","","","","1.295","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250719","5.1218","0.0007","5.1218","0.0007","10.55","0.02","90","","90","","120","","239.7","0.5","293","2","293","2","11710000","50000","11710000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0401","0.038","","","0.1165","0.1169","","","","","","1.181","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250720","5.2708","0.0003","5.2708","0.0003","9.089","0.01","90","","90","","120","","218.7","0.2","293","2","293","2","290000","50000","290000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0218","0.0186","","","0.05","0.0503","","","","","","1.227","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250721","5.1888","0.0004","5.1888","0.0004","8.136","0.01","90","","90","","120","","189.7","0.2","293","2","293","2","7220000","50000","7220000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0255","0.0236","","","0.053","0.0531","","","","","","1.312","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250722","5.1471","0.0018","5.1471","0.0018","7.94","0.04","90","","90","","120","","182.2","0.9","293","2","293","2","10780000","50000","10780000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0568","0.0481","","","0.1325","0.1401","","","","","","1.202","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250723","5.2685","0.0003","5.2685","0.0003","9.02","0.008","90","","90","","120","","216.83","0.19","293","2","293","2","560000","50000","560000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0212","0.02","","","0.055","0.0553","","","","","","1.287","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250724","5.1738","0.0011","5.1738","0.0011","8.3","0.03","90","","90","","120","","192.4","0.7","293","2","293","2","6120000","50000","6120000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0752","0.0716","","","0.1882","0.1918","","","","","","1.362","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250725","5.163","0.0008","5.163","0.0008","8.04","0.02","90","","90","","120","","185.6","0.5","293","2","293","2","10550000","50000","10550000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0626","0.0578","","","0.1466","0.1485","","","","","","1.128","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250726","5.1848","0.0006","5.1848","0.0006","8.186","0.012","90","","90","","120","","190.6","0.3","293","2","293","2","8050000","50000","8050000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4957","synchrotron","","0.0368","0.0278","","","0.0656","0.0676","","","","","","1.142","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250727","5.2662","0.0006","5.2662","0.0006","8.629","0.018","90","","90","","120","","207.2","0.4","293","2","293","2","3250000","50000","3250000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0333","0.0312","","","0.0744","0.0749","","","","","","1.159","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250728","5.2896","0.0006","5.2896","0.0006","9.018","0.015","90","","90","","120","","218.5","0.4","293","2","293","2","960000","5000","960000","5000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0449","0.0439","","","0.1216","0.1218","","","","","","1.213","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250729","5.26981","0.00014","5.26981","0.00014","12.545","0.005","90","","90","","120","","301.71","0.12","293","2","293","2","190000","50000","190000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4956","synchrotron","","0.0306","0.0304","","","0.0844","0.0845","","","","","","1.277","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250730","5.2676","0.00014","5.2676","0.00014","12.532","0.005","90","","90","","120","","301.15","0.12","293","2","293","2","260000","50000","260000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4956","synchrotron","","0.0249","0.0248","","","0.072","0.0721","","","","","","1.235","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250731","5.1698","0.0011","5.1698","0.0011","8","0.03","90","","90","","120","","185.2","0.7","293","2","293","2","9330000","50000","9330000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0418","0.0376","","","0.107","0.1082","","","","","","1.119","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250732","5.12","0.003","5.12","0.003","7.84","0.07","90","","90","","120","","178","1.6","293","2","293","2","12800000","50000","12800000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0965","0.0748","","","0.2113","0.2383","","","","","","1.249","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250733","5.045","0.004","5.045","0.004","7.94","0.13","90","","90","","120","","175","3","293","2","293","2","14760000","50000","14760000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.2211","0.1798","","","0.4386","0.5054","","","","","","1.737","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250734","5.191","0.0008","5.191","0.0008","8.058","0.017","90","","90","","120","","188","0.4","293","2","293","2","9160000","50000","9160000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.056","0.0446","","","0.1455","0.1667","","","","","","1.361","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250735","5.2057","0.0007","5.2057","0.0007","8.103","0.015","90","","90","","120","","190.2","0.4","293","2","293","2","8200000","50000","8200000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0621","0.0495","","","0.1444","0.1689","","","","","","1.357","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250736","5.1768","0.0007","5.1768","0.0007","8.138","0.02","90","","90","","120","","188.9","0.5","293","2","293","2","8680000","50000","8680000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0551","0.0496","","","0.1228","0.1242","","","","","","1.213","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250737","5.1794","0.0013","5.1794","0.0013","8.2","0.03","90","","90","","120","","190.5","0.7","293","2","293","2","9190000","50000","9190000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0666","0.0601","","","0.1352","0.1368","","","","","","1.126","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250738","5.217","0.0009","5.217","0.0009","8.24","0.02","90","","90","","120","","194.2","0.5","293","2","293","2","7120000","50000","7120000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0311","0.0285","","","0.0755","0.0759","","","","","","1.269","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250739","5.26449","0.00019","5.26449","0.00019","8.782","0.005","90","","90","","120","","210.78","0.12","293","2","293","2","2340000","50000","2340000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0486","0.0459","","","0.106","0.1068","","","","","","1.08","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250740","5.1827","0.0009","5.1827","0.0009","8.14","0.02","90","","90","","120","","189.4","0.5","293","2","293","2","9640000","50000","9640000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0425","0.0393","","","0.098","0.0984","","","","","","1.266","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250741","5.1683","0.0013","5.1683","0.0013","8.11","0.03","90","","90","","120","","187.6","0.7","293","2","293","2","10440000","50000","10440000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0363","0.0312","","","0.0908","0.0915","","","","","","1.199","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250742","5.2602","0.0006","5.2602","0.0006","8.527","0.017","90","","90","","120","","204.3","0.4","293","2","293","2","3940000","50000","3940000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0389","0.0372","","","0.0934","0.0941","","","","","","1.155","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250743","5.2037","0.0006","5.2037","0.0006","8.405","0.016","90","","90","","120","","197.1","0.4","293","2","293","2","5680000","50000","5680000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0274","0.0248","","","0.0612","0.0616","","","","","","1.287","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250744","5.28426","0.00019","5.28426","0.00019","9.181","0.006","90","","90","","120","","222.02","0.15","293","2","293","2","620000","5000","620000","5000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0321","0.0311","","","0.0835","0.0838","","","","","","1.278","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250745","5.2909","0.0006","5.2909","0.0006","8.918","0.014","90","","90","","120","","216.2","0.3","293","2","293","2","1320000","50000","1320000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0496","0.0483","","","0.1299","0.1305","","","","","","1.148","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250746","5.28876","0.00017","5.28876","0.00017","9.354","0.005","90","","90","","120","","226.59","0.12","293","2","293","2","100","5","100","5","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0297","0.028","","","0.0738","0.0748","","","","","","1.128","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250747","5.2163","0.0002","5.2163","0.0002","11.509","0.005","90","","90","","120","","271.2","0.12","293","2","293","2","3590000","50000","3590000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4956","synchrotron","","0.0303","0.0303","","","0.0907","0.0907","","","","","","1.231","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250748","5.2567","0.00013","5.2567","0.00013","12.24","0.005","90","","90","","120","","292.91","0.12","293","2","293","2","950000","50000","950000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0216","0.0215","","","0.0643","0.0643","","","","","","1.243","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250749","5.19615","0.00014","5.19615","0.00014","11.199","0.005","90","","90","","120","","261.86","0.12","293","2","293","2","5280000","50000","5280000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0318","0.0317","","","0.1072","0.1072","","","","","","1.304","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250750","33.015","0.002","9.738","0.0006","18.1598","0.001","90","","95.296","0.003","90","","5813.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O16 Zn3 -","- C36 H32 N2 O16 Zn3 -","- C144 H128 N8 O64 Zn12 -","4","0.5","","Zeeshan, Mohd; Khan, Mohammad Yasir; Shahid, M.; Khalid Parvez, Mohammad; Li, Xiang","Tailored nanoporous composite of a bimetallic Zn-based MOF featuring two rare-metal geometries for organic dye sequestration: a mechanistic and kinetic insight into wastewater remediation","CrystEngComm","2025","27","36","5989","6008","10.1039/D5CE00684H","","","0.71073","MoKα","","0.0583","0.0541","","","0.1473","0.1524","","","","","","1.0427","","","","has coordinates","302577","2025-10-06","08:28:06",""
"7250753","19.3314","0.0003","19.3314","0.0003","20.9001","0.0006","90","","90","","120","","6764","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C72 H46 O23 S8 Zn4 -","- C72 H46 O23 S8 Zn4 -","- C216 H138 O69 S24 Zn12 -","3","0.5","","Wang, Yingchao; Miao, Xiaohe; Sun, Lei","Morphological control of a metal–organic framework for single-crystal electronic device fabrication","CrystEngComm","2025","27","35","5848","5854","10.1039/D5CE00534E","","","0.71073","MoKα","","0.0566","0.0538","","","0.1731","0.177","","","","","","1.091","","","","has coordinates,has disorder","302585","2025-10-06","08:32:44",""
"7250754","9.144","0.0007","32.017","0.003","18.9187","0.0019","90","","91.622","0.004","90","","5536.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H86 N4 O25 S8 -","- C84 H86 N4 O25 S8 -","- C168 H172 N8 O50 S16 -","2","0.5","","Wang, Yingchao; Miao, Xiaohe; Sun, Lei","Morphological control of a metal–organic framework for single-crystal electronic device fabrication","CrystEngComm","2025","27","35","5848","5854","10.1039/D5CE00534E","","","1.34139","GaKα","","0.1092","0.0947","","","0.2796","0.2905","","","","","","0.994","","","","has coordinates,has disorder","302585","2025-10-06","08:32:44",""
"7250755","14.369","0.003","12.237","0.003","14.727","0.004","90","","94.916","0.004","90","","2580","1.1","296","2","296.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H37 Co Cu N10 O6 -","- C16 H37 Co Cu N10 O6 -","- C64 H148 Co4 Cu4 N40 O24 -","4","0.5","","Cai, Qi-Juan; Ma, Lu-Yao; Zhang, Kun-Hua; Dong, Fu-Wan; Sun, Ao-Na; Yang, Jiong; Shao, Dong","A highly hydrogen-bonded {Cu2Co} cyanide complex exhibiting high room-temperature proton conduction","CrystEngComm","2025","27","35","5788","5792","10.1039/D5CE00674K","","","0.71073","MoKα","","0.1113","0.0987","","","0.2819","0.2969","","","","","","1.057","","","","has coordinates,has disorder","302582","2025-10-06","08:31:35",""
"7250767","24.9634","","24.9634","","24.9634","","90","","90","","90","","15556.5","","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al57.6 K56.27802 O389.0341 Si134.4 -","- Al57.6 K56.272 O389.024 Si134.4 -","- Al57.6 K56.272 O389.024 Si134.4 -","1","0.00520833","","Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis","3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite","CrystEngComm","2025","27","30","5095","5099","10.1039/D5CE00520E","","electron","0.02508","electron","","0.4321","0.11","","","0.1965","0.2404","","","","3.3645","3.3645","1.4499","","","","has coordinates","301445","2025-08-04","10:57:25",""
"7250768","24.8816","0.00003","24.8816","","24.8816","","90","","90","","90","","15404","0.019","","","300","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al0.6 K0.593 O4.04 Si1.4 -","- Al0.6 K0.59255 O4.04033 Si1.4 -","- Al57.6 K56.8848 O387.872 Si134.4 -","96","0.5","","Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis","3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite","CrystEngComm","2025","27","30","5095","5099","10.1039/D5CE00520E","powder diffraction","x-ray","0.35442","","","","","","","0.04029","","0.06627","","4.074","","","","","","","has coordinates","301445","2025-08-04","10:57:25",""
"7250772","20.5422","0.0007","20.5422","0.0007","7.9574","0.0005","90","","90","","120","","2908","0.2","298","","298","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C36 H60 N14 -","- C36 H58.6662 N14 -","- C108 H175.999 N42 -","3","0.166667","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","0.71073","MoKα","","0.09","0.0684","","","0.191","0.2148","","","","","","1.117","","","","has coordinates,has disorder","302580","2025-10-06","08:29:45",""
"7250773","9.9196","0.0019","4.7031","0.0008","11.861","0.002","90","","96.888","0.008","90","","549.36","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C20 H24 N8 O4 -","2","0.5","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","0.71073","MoKα","","0.0393","0.0349","","","0.0965","0.1","","","","","","1.095","","","","has coordinates","302580","2025-10-06","08:29:47",""
"7250774","9.2232","0.001","14.7495","0.0015","7.6284","0.0008","90","","90","","90","","1037.75","0.19","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","0.71073","MoKα","","0.0402","0.0376","","","0.0976","0.1006","","","","","","1.069","","","","has coordinates","302580","2025-10-06","08:29:47",""
"7250775","7.6005","0.001","18.3331","0.0017","8.5191","0.0011","90","","90","","90","","1187.1","0.2","298","2","298","2","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","0.5","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","1.54178","Cukα","","0.0461","0.0381","","","0.0967","0.1024","","","","","","1.058","","","","has coordinates","302580","2025-10-06","08:29:47",""
"7250776","8.422","0.0017","15.067","0.003","13.735","0.003","90","","98.15","0.03","90","","1725.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cd Cl2 N12 O10 -","- C28 H28 Cd Cl2 N12 O10 -","- C56 H56 Cd2 Cl4 N24 O20 -","2","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension","CrystEngComm","2025","27","35","5889","5900","10.1039/D5CE00648A","","","0.71073","MoKα","","0.1132","0.0798","","","0.2064","0.224","","","","","","1.045","","","","has coordinates","302584","2025-10-06","08:32:21",""
"7250777","8.6491","0.0017","9.1342","0.0018","9.599","0.0019","88.5","0.03","76.85","0.03","72.1","0.03","701.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cd Cl2 N6 O12 -","- C20 H28 Cd Cl2 N6 O12 -","- C20 H28 Cd Cl2 N6 O12 -","1","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension","CrystEngComm","2025","27","35","5889","5900","10.1039/D5CE00648A","","","0.71073","MoKα","","0.0504","0.046","","","0.1229","0.1272","","","","","","1.086","","","","has coordinates","302584","2025-10-06","08:32:22",""
"7250778","7.6679","0.0015","8.6057","0.0017","11.831","0.002","90.53","0.03","97.08","0.03","99.36","0.03","764.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cd Cl2 N12 O10 -","- C24 H20 Cd Cl2 N12 O10 -","- C24 H20 Cd Cl2 N12 O10 -","1","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension","CrystEngComm","2025","27","35","5889","5900","10.1039/D5CE00648A","","","0.71073","MoKα","","0.0755","0.0527","","","0.107","0.1147","","","","","","0.963","","","","has coordinates","302584","2025-10-06","08:32:22",""
"7250780","12.3335","0.0008","8.966","0.0006","20.5471","0.0013","90","","99.799","0.002","90","","2239","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 F3 N2 O5 -","- C26 H19 F3 N2 O5 -","- C104 H76 F12 N8 O20 -","4","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0807","0.048","","","0.097","0.1105","","","","","","1.019","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250781","8.4801","0.0005","19.1845","0.0011","14.4828","0.0008","90","","93.598","0.002","90","","2351.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Cl2 F3 N2 O4 S -","- C26 H17 Cl2 F3 N2 O4 S -","- C104 H68 Cl8 F12 N8 O16 S4 -","4","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0578","0.0393","","","0.0898","0.0993","","","","","","1.029","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250782","9.6442","0.0008","10.376","0.0009","11.0944","0.0009","117.344","0.003","104.347","0.003","90.546","0.003","945.53","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N3 O5 S -","- C22 H17 N3 O5 S -","- C44 H34 N6 O10 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0551","0.0411","","","0.0899","0.0973","","","","","","1.025","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250783","17.4671","0.0016","5.1768","0.0005","21.844","0.002","90","","90","","90","","1975.2","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H20 N4 O4 S -","- C23 H20 N4 O4 S -","- C92 H80 N16 O16 S4 -","4","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0697","0.0508","","","0.1001","0.1081","","","","","","1.022","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250802","7.1533","0.0001","13.3033","0.0002","17.4216","0.0002","90","","90","","90","","1657.88","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2-Methoxy-1,8-bis(dimethylamino)naphthalene hydrogen tetrafluoroborate","","","- C16 H22 B D F4 N2 -","- C16 H22 B D F4 N2 -","- C64 H88 B4 D4 F16 N8 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0319","0.0303","","","0.0803","0.0817","","","","","","1.034","","","","has coordinates,has disorder","302564","2025-10-06","08:23:14",""
"7250803","8.1255","0.0005","8.1953","0.0004","12.3764","0.0006","84.836","0.004","73.423","0.005","78.518","0.005","773.61","0.08","296.17","0.16","296.17","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 Cl N2 O4 -","- C14 H19 Cl N2 O4 -","- C28 H38 Cl2 N4 O8 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0688","0.0632","","","0.1855","0.1921","","","","","","1.069","","","","has coordinates,has disorder","302564","2025-10-06","08:23:15",""
"7250804","13.7546","0.0001","9.5537","0.0001","14.4904","0.0001","90","","90.66","0.001","90","","1904.02","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 B Br4 F4 N2 -","- C14 H15 B Br4 F4 N2 -","- C56 H60 B4 Br16 F16 N8 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0292","0.0275","","","0.0712","0.0724","","","","","","1.059","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250805","12.8442","0.0001","8.7712","0.0001","19.1298","0.0002","90","","107.671","0.001","90","","2053.46","0.04","100.01","0.16","100.01","0.16","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 Br2 N3 -","- C18 H31 Br2 N3 -","- C72 H124 Br8 N12 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0249","0.0232","","","0.0602","0.0615","","","","","","1.054","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250806","12.0536","0.0002","14.2355","0.0004","15.5369","0.0003","71.122","0.002","78.938","0.002","80.513","0.002","2460.49","0.1","100.2","0.9","100.2","0.9","","","","","","","","6","P -1","-P 1","2","","","","- C43 H62 B2 F8 N4 S8 -","- C43 H62 B2 F8 N4 S8 -","- C86 H124 B4 F16 N8 S16 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0451","0.0405","","","0.1083","0.1116","","","","","","1.074","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250807","12.1978","0.0001","11.4803","0.0001","12.6584","0.0002","90","","90","","90","","1772.61","0.04","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","2-Methoxy-1,8-bis(dimethylamino)naphthalene hydrogen tetrafluoroborate","","","- C18 H20 B D7 F4 N2 -","- C18 H20 B D7 F4 N2 -","- C72 H80 B4 D28 F16 N8 -","4","0.5","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0491","0.0467","","","0.1161","0.1179","","","","","","1.065","","","","has coordinates,has disorder","302564","2025-10-06","08:23:15",""
"7250808","11.3768","0.0002","12.6149","0.0003","13.7199","0.0002","90","","97.067","0.002","90","","1954.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H19 B Cl2 F4 N2 S2 -","- C15 H19 B Cl2 F4 N2 S2 -","- C60 H76 B4 Cl8 F16 N8 S8 -","4","0.5","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0486","0.0471","","","0.1269","0.1283","","","","","","1.099","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250809","12.0279","0.0001","11.5143","0.0001","12.8178","0.0001","90","","90","","90","","1775.17","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H27 N3 S -","- C19 H27 N3 S -","- C76 H108 N12 S4 -","4","0.5","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0433","0.0424","","","0.1145","0.1155","","","","","","1.055","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250810","14.7071","0.0009","7.754","0.0005","15.6954","0.0011","90","","111.348","0.007","90","","1667.1","0.2","100","0.3","100","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 B F4 N2 Se2 -","- C14 H17 B F4 N2 Se2 -","- C56 H68 B4 F16 N8 Se8 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","0.71073","MoKα","","0.0399","0.0312","","","0.0703","0.0751","","","","","","1.031","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250811","7.7857","0.0002","8.4721","0.0002","14.0062","0.0004","86.404","0.002","76.855","0.002","81.59","0.002","889.57","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 B F4 N2 S2 -","- C16 H23 B F4 N2 S2 -","- C32 H46 B2 F8 N4 S4 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0334","0.0327","","","0.0798","0.0801","","","","","","1.192","","","","has coordinates,has disorder","302564","2025-10-06","08:23:15",""
"7250812","10.0876","0.0002","10.7862","0.0002","11.0225","0.0003","106.729","0.002","108.33","0.002","104.687","0.002","1009.18","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 B F4 N2 S2 -","- C18 H27 B F4 N2 S2 -","- C36 H54 B2 F8 N4 S4 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0817","0.0823","","","","","","1.041","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250817","15.7628","0.0006","11.1236","0.0004","8.4309","0.0003","90","","99.61","0.004","90","","1457.52","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N2 O8 Sr -","- C14 H8 N2 O8 Sr -","- C56 H32 N8 O32 Sr4 -","4","0.5","","Hayat, Mohd Umar; Khalid, Mohd; Kamal, Samrah; Shahid, M.; Ahmad, Musheer","Fabrication of a 3D Sr-based metal–organic framework bearing ant topology for highly efficient iodine capture in solution and vapor phases","CrystEngComm","2025","27","40","6639","6651","10.1039/D5CE00539F","","","0.71073","MoKα","","0.0392","0.0287","","","0.0698","0.073","","","","","","1.0325","","","","has coordinates","303702","2025-11-29","19:12:58",""
"7250819","12.713","0.0005","12.93","0.0004","14.0951","0.0005","90","","90","","90","","2316.94","0.14","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N O2 P S2 -","- C21 H32 N O2 P S2 -","- C84 H128 N4 O8 P4 S8 -","4","1","","Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K.","Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates","CrystEngComm","2025","27","38","6386","6396","10.1039/D5CE00611B","","x-ray","1.54184","CuKα","","0.0383","0.036","","","0.0956","0.0988","","","","","","1.026","","","","has coordinates","302593","2025-10-06","08:34:49",""
"7250820","10.3663","0.0005","23.2716","0.0012","13.824","0.0006","90","","103.996","0.004","90","","3235.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 O8 P4 Pb2 S8 -","- C56 H56 O8 P4 Pb2 S8 -","- C112 H112 O16 P8 Pb4 S16 -","2","0.5","","Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K.","Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates","CrystEngComm","2025","27","38","6386","6396","10.1039/D5CE00611B","","x-ray","0.71073","MoKα","","0.1234","0.0899","","","0.2264","0.2502","","","","","","1.299","","","","has coordinates","302593","2025-10-06","08:34:49",""
"7250826","10.0521","0.0004","16.6181","0.0008","15.0137","0.0007","90","","94.785","0.004","90","","2499.2","0.2","100.3","0.8","100.3","0.8","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H23 N O S -","- C34 H23 N O S -","- C136 H92 N4 O4 S4 -","4","1","","Zheng, Kaibo; Wu, Wenlin; Yang, Xueer; Yan, Jiaying; Zhang, Nuonuo; Fang, Mingyue; Han, Fei","Effect of bridge units on the photophysical properties of tetraphenylethene-benzothiazole hybrid AIEgens with high-contrast mechanofluorochromic behaviour","CrystEngComm","2025","27","39","6502","6507","10.1039/D5CE00574D","","x-ray","1.54184","CuKα","","0.1147","0.1133","","","0.2698","0.2722","","","","","","1.339","","","","has coordinates","303695","2025-11-29","19:11:01",""
"7250827","8.921","0.0003","9.4764","0.0003","16.5104","0.0005","94.16","0.002","92.552","0.002","94.443","0.002","1386.15","0.08","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H23 N3 S -","- C37 H23 N3 S -","- C74 H46 N6 S2 -","2","1","","Zheng, Kaibo; Wu, Wenlin; Yang, Xueer; Yan, Jiaying; Zhang, Nuonuo; Fang, Mingyue; Han, Fei","Effect of bridge units on the photophysical properties of tetraphenylethene-benzothiazole hybrid AIEgens with high-contrast mechanofluorochromic behaviour","CrystEngComm","2025","27","39","6502","6507","10.1039/D5CE00574D","","x-ray","1.54184","CuKα","","0.0643","0.0557","","","0.1495","0.1562","","","","","","1.06","","","","has coordinates","303695","2025-11-29","19:11:02",""
"7250845","12.7086","0.0006","34.9069","0.0014","18.9598","0.0006","90","","96.151","0.004","90","","8362.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H71 Cl3 Co2 F24 N8 O18 -","- C62 H71 Cl3 Co2 F24 N8 O18 -","- C248 H284 Cl12 Co8 F96 N32 O72 -","4","1","","Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius","Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2025","27","39","6462","6472","10.1039/D5CE00795J","","x-ray","0.71073","MoKα","","0.1117","0.0775","","","0.2323","0.2637","","","","","","1.044","","","","has coordinates,has disorder","303694","2025-11-29","19:10:49",""
"7250846","8.4632","0.001","9.8218","0.0014","10.1702","0.0014","101.627","0.012","93.54","0.01","90.027","0.011","826.39","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O8 -","- C17 H14 N2 O8 -","- C34 H28 N4 O16 -","2","1","","Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius","Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2025","27","39","6462","6472","10.1039/D5CE00795J","","x-ray","0.71073","MoKα","","0.1059","0.0789","","","0.2409","0.2659","","","","","","1.075","","","","has coordinates,has disorder","303694","2025-11-29","19:10:50",""
"7250847","12.6913","0.0009","34.918","0.0019","18.906","0.0008","90","","95.976","0.005","90","","8332.8","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H71 Cl3 F24 N8 Ni2 O18 -","- C62 H71 Cl3 F24 N8 Ni2 O18 -","- C248 H284 Cl12 F96 N32 Ni8 O72 -","4","1","","Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius","Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2025","27","39","6462","6472","10.1039/D5CE00795J","","x-ray","0.71073","MoKα","","0.1423","0.0716","","","0.1893","0.2311","","","","","","1.02","","","","has coordinates,has disorder","303694","2025-11-29","19:10:50",""
"7250852","10.118","0.002","12.748","0.003","10.628","0.002","90","","93.894","0.006","90","","1367.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 I4 N Te -","- C6 H7 I4 N Te -","- C24 H28 I16 N4 Te4 -","4","1","","Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4","CrystEngComm","2025","27","38","6373","6380","10.1039/D5CE00646E","","","0.71073","MoKα","","0.0503","0.0348","","","0.0726","0.0795","","","","","","1.128","","","","has coordinates","302592","2025-10-06","08:34:32",""
"7250853","10.386","0.002","11.375","0.002","12.532","0.003","90","","101.156","0.006","90","","1452.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl6 N2 Si2 Te -","- C18 H32 Cl6 N2 Si2 Te -","- C36 H64 Cl12 N4 Si4 Te2 -","2","0.5","","Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4","CrystEngComm","2025","27","38","6373","6380","10.1039/D5CE00646E","","","0.71073","MoKα","","0.0623","0.039","","","0.0808","0.0947","","","","","","1.067","","","","has coordinates","302592","2025-10-06","08:34:32",""
"7250854","7.0094","0.0002","8.4902","0.0002","15.6462","0.0004","88.97","0.001","86.6","0.001","81.048","0.001","918.13","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl5 N2 O Te -","- C12 H17 Cl5 N2 O Te -","- C24 H34 Cl10 N4 O2 Te2 -","2","1","","Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4","CrystEngComm","2025","27","38","6373","6380","10.1039/D5CE00646E","","","0.71073","MoKα","","0.0235","0.0202","","","0.0434","0.0452","","","","","","1.089","","","","has coordinates","302592","2025-10-06","08:34:32",""
"7250863","5.9429","0.0004","11.8071","0.0008","18.0729","0.0012","90","","90","","90","","1268.15","0.15","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","","Karthick, Subramani; Li, Bing-Xiang; Sridhar, Balasubramanian; Aya, Satoshi; Brahadeeswaran, Srinivasan","Pyrrolidin-1-ium-2-carboxylate·4-hydroxybenzoic acid co-crystal: a novel phase-matchable acentric organic material for efficient second-harmonic generation","CrystEngComm","2025","27","39","6449","6461","10.1039/D5CE00721F","","","0.71073","MoKα","","0.0687","0.0649","","","0.1485","0.1504","","","","","","1.243","","","","has coordinates","303693","2025-11-29","19:10:35",""
"7250867","7.5797","0.0004","5.9809","0.0004","52.204","0.003","90","","91.697","0.004","90","","2365.5","0.2","298","","298","","","","","","","","","3","P 1 2 1","P 2y","3","","","","- C14 H9 I -","- C14 H9 I -","- C112 H72 I8 -","8","4","","Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki","Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems","CrystEngComm","2025","27","41","6735","6741","10.1039/D5CE00690B","","x-ray","0.71073","MoKα","","0.0894","0.0651","","","0.1826","0.199","","","","","","1.033","","","","has coordinates","303680","2025-11-29","19:05:16",""
"7250868","6.1455","0.0002","7.4012","0.0003","28.5289","0.0011","90","","90","","90","","1297.61","0.08","299","","299","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 I O -","- C15 H11 I O -","- C60 H44 I4 O4 -","4","1","","Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki","Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems","CrystEngComm","2025","27","41","6735","6741","10.1039/D5CE00690B","","x-ray","0.71073","MoKα","","0.0289","0.0249","","","0.064","0.0662","","","","","","1.05","","","","has coordinates","303680","2025-11-29","19:05:19",""
"7250869","12.9207","0.0009","5.0801","0.0004","19.1219","0.0011","90","","94.046","0.006","90","","1252","0.15","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H5 F4 I -","- C14 H5 F4 I -","- C56 H20 F16 I4 -","4","1","","Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki","Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems","CrystEngComm","2025","27","41","6735","6741","10.1039/D5CE00690B","","x-ray","0.71073","MoKα","","0.0496","0.0349","","","0.0888","0.0961","","","","","","1.06","","","","has coordinates","303680","2025-11-29","19:05:19",""
"7250870","15.239","0.003","15.239","0.003","22.553","0.005","90","","90","","90","","5237.4","1.9","296.15","","296.15","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C45 H68 Co N O16 -","- C33 H20 Co N O4 -","- C132 H80 Co4 N4 O16 -","4","0.25","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","0.71073","MoKα","","0.1152","0.0863","","","0.189","0.2028","","","","","","0.977","","","","has coordinates","303689","2025-11-29","19:09:34",""
"7250871","15.243","0.002","15.243","0.002","45.096","0.007","90","","90","","90","","10478","3","296.15","","296.15","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C82 H77 Co2 N2 O16 -","- C74 H45 Co2 N2 O8 -","- C296 H180 Co8 N8 O32 -","4","0.25","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","0.71073","MoKα","","0.1747","0.1285","","","0.2556","0.28","","","","","","1.084","","","","has coordinates,has disorder","303689","2025-11-29","19:09:35",""
"7250872","57.238","0.002","19.7412","0.0009","23.0425","0.0009","90","","109.198","0.002","90","","24588.8","1.7","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C123 H109 Co3 N9 O18 -","- C108 H74 Co3 N4 O13 -","- C864 H592 Co24 N32 O104 -","8","1","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","1.54178","CuKα","","0.1573","0.1022","","","0.192","0.2108","","","","","","1.069","","","","has coordinates","303689","2025-11-29","19:09:35",""
"7250873","57.02","0.03","20.59","0.008","22.286","0.013","90","","108.37","0.03","90","","24831","2","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H135 Co3 N12 O21 -","- C117 H72 Co3 N3 O12 -","- C936 H576 Co24 N24 O96 -","8","1","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","1.54184","CuKα","","0.1946","0.1384","","","0.2713","0.2967","","","","","","1.093","","","","has coordinates","303689","2025-11-29","19:09:35",""
"7250874","8.2","0.003","18.575","0.008","18.646","0.008","104.466","0.015","93.783","0.017","90.299","0.016","2743","2","300","2","300","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H44 F12 N4 -","- C62 H44 F12 N4 -","- C124 H88 F24 N8 -","2","1","","Tang, Baolei; Yang, Xuesong; Chen, Donghe; Hu, Hanlin; Zhang, Hongyu","Reversible mechanochromism and polarization modulation in an elastic organic crystal","CrystEngComm","2025","27","40","6606","6610","10.1039/D5CE00768B","","","0.71073","MoKα","","0.2125","0.1049","","","0.2421","0.3004","","","","","","1.019","","","","has coordinates","303705","2025-11-29","19:15:20",""
"7250875","5.0698","0.0008","14.565","0.002","14.099","0.002","90","","97.056","0.014","90","","1033.2","0.3","85","0.5","85","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C32 H44 B4 F16 N8 O8 -","4","2","","Wojtaś, Maciej; Gągor, Anna; Bdikin, Igor; Kopyl, Svitlana","Crystal structure and piezoelectric properties of the final member of the pyridylalanine derivative series: [H-β-(3-pyridyl)-Ala-OH][BF4]","CrystEngComm","2025","27","40","6679","6686","10.1039/D5CE00693G","","x-ray","0.71073","MoKα","","0.2294","0.0944","","","0.175","0.2424","","","","","","0.972","","","","has coordinates","303706","2025-11-29","19:15:28",""
"7250878","10.88688","0.00014","10.93543","0.00016","15.2453","0.0002","83.732","0.0012","85.3678","0.0011","84.0042","0.0011","1789.85","0.04","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H38 Ce2 O31 -","- C18 H38 Ce2 O31 -","- C36 H76 Ce4 O62 -","2","1","","Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I.","Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework","CrystEngComm","2025","27","41","6797","6804","10.1039/D5CE00689A","","","0.71073","MoKα","","0.0237","0.0216","","","0.0488","0.0495","","","","","","1.146","","","","has coordinates,has disorder","303678","2025-11-29","19:04:54",""
"7250879","14.8474","0.0014","26.6474","0.0018","17.9757","0.0011","90","","112.784","0.01","90","","6557","1","175","5","175","5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52.989 H46.307 Ce4 N4.33 O37.33 -","- C52.99 H46.31 Ce4 N4.33 O37.33 -","- C211.96 H185.24 Ce16 N17.32 O149.32 -","4","1","","Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I.","Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework","CrystEngComm","2025","27","41","6797","6804","10.1039/D5CE00689A","","electron","0.0251","electron","","0.2814","0.2279","","","0.4378","0.4688","","","","","","1.0456","","","","has coordinates,has disorder","303678","2025-11-29","19:04:55",""
"7250880","20.5871","0.0011","12.3929","0.0007","21.3684","0.0014","90","","112.548","0.002","90","","5035.1","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Au4 N4 S4 -","- C52 H48 Au4 N4 S4 -","- C208 H192 Au16 N16 S16 -","4","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0311","0.0239","","","0.044","0.046","","","","","","1.036","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250881","31.221","","31.221","","8.542","","90","","90","","120","","7210.81","","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H14 Au N S -","- C17 H14 Au N S -","- C306 H252 Au18 N18 S18 -","18","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.157","0.1","","","0.2146","0.2354","","","","","","1.073","","","","has coordinates","303686","2025-11-29","19:08:19",""
"7250882","11.3366","0.0004","18.9708","0.0007","12.8686","0.0004","90","","110.132","0.001","90","","2598.48","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Au N -","- C15 H14 Au N -","- C120 H112 Au8 N8 -","8","2","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0219","0.0187","","","0.0418","0.0429","","","","","","1.047","","","","has coordinates","303686","2025-11-29","19:08:19",""
"7250883","10.1311","0.0005","11.8564","0.0006","17.3656","0.0008","100.14","0.002","98.615","0.002","101.681","0.002","1973.27","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 Au N -","- C15 H14 Au N -","- C90 H84 Au6 N6 -","6","3","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0516","0.0412","","","0.1101","0.116","","","","","","1.016","","","","has coordinates","303686","2025-11-29","19:08:19",""
"7250884","7.708","0.003","19.172","0.005","10.066","0.002","90","","93.112","0.011","90","","1485.3","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Au N S -","- C17 H14 Au N S -","- C68 H56 Au4 N4 S4 -","4","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0322","0.0287","","","0.0713","0.0729","","","","","","1.043","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250885","11.8718","0.0006","20.3094","0.001","15.884","0.0008","90","","99.929","0.002","90","","3772.4","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Au N S -","- C13 H12 Au N S -","- C156 H144 Au12 N12 S12 -","12","3","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0602","0.0517","","","0.1339","0.1403","","","","","","1.045","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250886","9.9569","0.0002","11.6078","0.0003","17.3895","0.0004","100.341","0.001","97.326","0.001","103.953","0.001","1887.9","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H36 Au3 N3 S3 -","- C39 H36 Au3 N3 S3 -","- C78 H72 Au6 N6 S6 -","2","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0302","0.0233","","","0.0432","0.0452","","","","","","1.045","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250887","9.081","0.002","17.316","0.004","18.171","0.004","114.577","0.009","98.055","0.01","102.895","0.01","2443.9","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Au N S2 -","- C17 H14 Au N S2 -","- C102 H84 Au6 N6 S12 -","6","3","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.1048","0.0906","","","0.2399","0.2486","","","","","","1.108","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250888","11.0862","0.0013","14.95","0.003","15.372","0.003","64.989","0.009","80.55","0.009","79.057","0.008","2256.7","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H42 Au3 N3 S3 -","- C51 H42 Au3 N3 S3 -","- C102 H84 Au6 N6 S6 -","2","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0684","0.063","","","0.1473","0.1505","","","","","","1.143","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250889","11.6478","0.0005","21.7736","0.0008","25.2892","0.001","113.938","0.001","100.457","0.002","90.668","0.002","5738.7","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Au N S -","- C13 H12 Au N S -","- C234 H216 Au18 N18 S18 -","18","9","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0627","0.0529","","","0.1239","0.1291","","","","","","1.044","","","","has coordinates,has disorder","303686","2025-11-29","19:08:19",""
"7250896","6.645","0.004","11.421","0.007","15.338","0.009","80.34","0.02","82.07","0.02","88.74","0.02","1136.6","1.2","213","","213","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H26 N8 -","- C48 H26 N8 -","- C48 H26 N8 -","1","0.5","","Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar","Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives","CrystEngComm","2025","27","43","7081","7093","10.1039/D5CE00731C","","","0.71073","MoKα","","0.1272","0.0978","","","0.2282","0.247","","","","","","1.0528","","","","has coordinates","303683","2025-11-29","19:06:48",""
"7250897","14.5583","0.0009","14.6841","0.0011","16.1918","0.0013","68.874","0.003","70.185","0.003","62.069","0.003","2791.2","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H39 I2 N9 O3 Sn -","- C63 H39 I2 N9 O3 Sn -","- C126 H78 I4 N18 O6 Sn2 -","2","1","","Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar","Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives","CrystEngComm","2025","27","43","7081","7093","10.1039/D5CE00731C","","","0.71073","MoKα","","0.0656","0.0488","","","0.1233","0.1379","","","","","","1.039","","","","has coordinates","303683","2025-11-29","19:06:49",""
"7250898","7.719","0.0005","12.2333","0.0009","17.0991","0.0013","73.879","0.003","80.487","0.003","75.715","0.003","1495.05","0.19","110.15","","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H46 I2 N10 O6 Sn -","- C68 H46 I2 N10 O6 Sn -","- C68 H46 I2 N10 O6 Sn -","1","0.5","","Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar","Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives","CrystEngComm","2025","27","43","7081","7093","10.1039/D5CE00731C","","","0.71073","MoKα","","0.0856","0.0659","","","0.1577","0.1679","","","","","","1.042","","","","has coordinates","303683","2025-11-29","19:06:49",""
"7250899","8.0401","0.0007","3.8577","0.0004","11.7923","0.001","90","","90.148","0.003","90","","365.75","0.06","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","pFBA","4 Formamidobenzoic acid","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C16 H14 N2 O6 -","2","1","","Mathew, Ansu; Karuppannan, Srinivasan","Influence of degraded 1,4-dioxane on the formylation of para-aminobenzoic acid: a pathway to the reactive crystallization of para-formamidobenzoic acid","CrystEngComm","2025","27","43","7071","7080","10.1039/D5CE00628G","","","0.71073","MoKα","","0.0372","0.0318","","","0.0725","0.0749","","","","","","1.064","","","","has coordinates","303687","2025-11-29","19:08:34",""
"7250903","7.6889","0.0006","11.4309","0.0009","30.912","0.002","90","","94.589","0.006","90","","2708.2","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-(2-hidroxyphenyl)-3-[(4-trifluormethyl) phenyl]prop-2-en-1-one","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C128 H88 F24 O16 -","8","2","","Cassará, María Lucrecia Arias; Pérez, Hiram; Davies, Lilian E.; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M.","Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis","CrystEngComm","2025","27","41","6781","6796","10.1039/D5CE00793C","","x-ray","0.71073","MoKα","","0.1623","0.0915","","","0.3229","0.3446","","","","","","1.09","","","","has coordinates","303679","2025-11-29","19:05:06",""
"7250904","7.1384","0.0005","12.7929","0.0008","12.9301","0.001","90","","90","","90","","1180.79","0.14","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-(4-fluorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","1","","Cassará, María Lucrecia Arias; Pérez, Hiram; Davies, Lilian E.; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M.","Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis","CrystEngComm","2025","27","41","6781","6796","10.1039/D5CE00793C","","x-ray","0.71073","MoKα","","0.0695","0.0435","","","0.0909","0.1059","","","","","","1.022","","","","has coordinates","303679","2025-11-29","19:05:06",""
"7250905","6.5946","0.001","6.5775","0.0011","9.962","0.003","90","","98.763","0.018","90","","427.07","0.16","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 F2 N O4 P Zr -","- C2 H8 F2 N O4 P Zr -","- C4 H16 F4 N2 O8 P2 Zr2 -","2","0.5","","Chen, Ziyuan; Liu, Shuzhen; Li, Shuangjiang; Chen, Zhihua; Yang, Lu; Zhang, Shengmao; Sun, Haiyan; Feng, Meiling; Huang, Xiaoying","Efficient capture of Sr2+ ions by a layered crystalline zirconium phosphate fluoride","CrystEngComm","2025","27","43","7063","7070","10.1039/D5CE00784D","","","0.71073","MoKα","","0.0714","0.0559","","","0.133","0.1477","","","","","","1.097","","","","has coordinates,has disorder","303681","2025-11-29","19:05:34",""
"7250929","10.4787","0.0005","10.9459","0.0005","12.6061","0.0007","104.133","0.002","108.619","0.002","97.17","0.002","1296.01","0.12","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong","Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation","CrystEngComm","2025","27","44","7228","7236","10.1039/D5CE00881F","","x-ray","0.71073","MoKα","","0.0313","0.0272","","","0.0619","0.0637","","","","","","1.068","","","","has coordinates,has disorder","303676","2025-11-29","19:03:53",""
"7250930","27.737","0.008","10.588","0.003","22.263","0.006","90","","99.577","0.011","90","","6447","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H31.4 N2 O12.7 Tb -","- C22 H28 N2 O11 Tb -","- C176 H224 N16 O88 Tb8 -","8","1","","Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong","Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation","CrystEngComm","2025","27","44","7228","7236","10.1039/D5CE00881F","","x-ray","0.71073","MoKα","","0.0771","0.0652","","","0.1532","0.1589","","","","","","1.177","","","","has coordinates,has disorder","303676","2025-11-29","19:03:54",""
"7250931","11.2214","0.001","14.5112","0.0011","18.8206","0.0018","94.384","0.003","106.455","0.003","110.71","0.003","2695.4","0.4","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H61 N5 O25 Tb2 -","- C44 H61 N5 O25 Tb2 -","- C88 H122 N10 O50 Tb4 -","2","1","","Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong","Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation","CrystEngComm","2025","27","44","7228","7236","10.1039/D5CE00881F","","x-ray","0.71073","MoKα","","0.082","0.0711","","","0.1969","0.2037","","","","","","1.065","","","","has coordinates,has disorder","303676","2025-11-29","19:03:54",""
"7250932","17.0372","0.0003","17.9771","0.0004","21.5515","0.0004","90","","90","","90","","6600.8","0.2","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 N4 O8 Tb -","- C73 H67 N4 O8 Tb -","- C292 H268 N16 O32 Tb4 -","4","1","","Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li","Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands","CrystEngComm","2025","27","44","7213","7218","10.1039/D5CE00697J","","","0.71073","MoKα","","0.0627","0.0411","","","0.0897","0.0922","","","","","","1.001","","","","has coordinates","303677","2025-11-29","19:04:08",""
"7250933","13.8331","0.0012","20.3348","0.0013","20.2449","0.0012","90","","97.612","0.013","90","","5644.6","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C118 H104 N4 O16 Tb2 -","- C118 H104 N4 O16 Tb2 -","- C236 H208 N8 O32 Tb4 -","2","1","","Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li","Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands","CrystEngComm","2025","27","44","7213","7218","10.1039/D5CE00697J","","","0.71073","MoKα","","0.0545","0.0466","","","0.1033","0.1057","","","","","","1.097","","","","has coordinates","303677","2025-11-29","19:04:09",""
"7250934","16.5689","0.0009","9.407","0.0004","17.1548","0.0011","90","","108.421","0.007","90","","2536.8","0.3","343.01","0.1","343.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(PrMeNC4H8)2[ZnBr4]","","- C16 H36 Br4 N2 Zn -","- C16 H36 Br4 N2 Zn -","- C64 H144 Br16 N8 Zn4 -","4","1","","Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia","Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal","CrystEngComm","2025","27","44","7170","7177","10.1039/D5CE00814J","","x-ray","1.54184","CuKα","","0.1232","0.0721","","","0.2238","0.2747","","","","","","0.983","","","","has coordinates,has disorder","303672","2025-11-29","19:02:09",""
"7250935","16.12","0.004","9.3802","0.0006","17.127","0.002","90","","109.239","0.019","90","","2445.1","0.7","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(PrMeNC4H8)2[ZnBr4]","","- C16 H36 Br4 N2 Zn -","- C15.9993 H35.9985 Br4 N2 Zn -","- C63.9972 H143.994 Br16 N8 Zn4 -","4","1","","Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia","Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal","CrystEngComm","2025","27","44","7170","7177","10.1039/D5CE00814J","","","1.54178","CuKα","","0.0848","0.0613","","","0.1731","0.191","","","","","","1.071","","","","has coordinates,has disorder","303672","2025-11-29","19:02:10",""
"7250936","15.9088","0.0003","9.2491","0.0001","17.0343","0.0003","90","","109.705","0.002","90","","2359.69","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(PrMeNC4H8)2[ZnBr4]","","- C16 H36 Br4 N2 Zn -","- C16 H36 Br4 N2 Zn -","- C64 H144 Br16 N8 Zn4 -","4","1","","Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia","Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal","CrystEngComm","2025","27","44","7170","7177","10.1039/D5CE00814J","","","1.54184","CuKα","","0.0623","0.0576","","","0.1586","0.1616","","","","","","1.175","","","","has coordinates","303672","2025-11-29","19:02:11",""
"7250937","12.8121","0.0002","15.663","0.0002","20.3134","0.0004","90","","90","","90","","4076.41","0.11","298","1","298","1","","","","","","","","5","P n n a","-P 2a 2bc","52","ESRF-1","catena-[(m4-5,10,15,20-tetrakis(4-Pyridyl)porphyrin-N,N',N'',N''')-bis(chloro)-cadmium(ii)]","","- C40 H26 Cd Cl2 N8 -","- C40 H26 Cd Cl2 N8 -","- C160 H104 Cd4 Cl8 N32 -","4","0.5","","Ernst, Michelle; Poręba, Tomasz","Structural adaptation in a cadmium–porphyrin MOF through solvent-driven change of interpenetration","CrystEngComm","2025","27","43","7032","7037","10.1039/D5CE00815H","","x-ray","0.40988","synchrotron","","0.0739","0.0675","","","0.2276","0.2327","","","","","","1.129","","","","has coordinates,has disorder","303685","2025-11-29","19:07:52",""
"7250946","9.805","0.0017","10.4025","0.0018","10.8869","0.0019","78.332","0.005","85.743","0.006","88.576","0.005","1084.4","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl2 N2 O3 S -","- C23 H18 Cl2 N2 O3 S -","- C46 H36 Cl4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0448","0.0408","","","0.0975","0.0999","","","","","","1.06","","","","has coordinates","303688","2025-11-29","19:08:51",""
"7250947","9.414","0.0019","10.97","0.002","20.797","0.004","90","","94.98","0.03","90","","2139.6","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C92 H72 Br4 Cl4 N8 O12 S4 -","4","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.7527","synchrotron","","0.0428","0.0349","","","0.0858","0.0908","","","","","","1.018","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250948","9.869","0.0006","10.478","0.0007","10.8827","0.0008","77.635","0.002","85.089","0.002","88.968","0.002","1095.21","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C46 H36 Br2 Cl2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0542","0.0371","","","0.0813","0.0867","","","","","","1.013","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250949","7.663","0.0004","10.8463","0.0006","13.3597","0.0007","105.308","0.002","93.899","0.002","91.273","0.002","1067.59","0.1","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br2 N2 O3 S -","- C23 H18 Br2 N2 O3 S -","- C46 H36 Br4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0401","0.0322","","","0.0843","0.0883","","","","","","1.049","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250950","9.9689","0.0016","10.4507","0.0015","10.9158","0.0019","77.441","0.007","85.094","0.007","88.691","0.007","1105.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br2 N2 O3 S -","- C23 H18 Br2 N2 O3 S -","- C46 H36 Br4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0423","0.0311","","","0.0832","0.0859","","","","","","1.017","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250951","9.8663","0.0008","10.374","0.0009","10.8917","0.0009","78.015","0.003","85.853","0.003","88.601","0.003","1087.59","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C46 H36 Br2 Cl2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0463","0.0363","","","0.0833","0.0871","","","","","","1.063","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250952","7.7322","0.001","11.5483","0.0014","12.9685","0.0016","74.852","0.004","85.203","0.004","73.512","0.004","1071.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br2 N2 O3 S -","- C23 H18 Br2 N2 O3 S -","- C46 H36 Br4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0405","0.0301","","","0.0729","0.0767","","","","","","1.007","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250953","7.635","0.0004","10.878","0.0006","13.2457","0.0008","105.712","0.002","94.019","0.002","90.956","0.002","1055.66","0.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C46 H36 Br2 Cl2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0374","0.0307","","","0.0768","0.0798","","","","","","1.04","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250954","10.1225","0.0008","10.4444","0.0008","10.9523","0.0008","76.93","0.002","85.086","0.002","88.512","0.002","1123.75","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br I N2 O3 S -","- C23 H18 Br I N2 O3 S -","- C46 H36 Br2 I2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0423","0.0304","","","0.0792","0.084","","","","","","1.017","","","","has coordinates","303688","2025-11-29","19:08:52",""
"7250955","10.8473","0.0004","6.7443","0.0003","11.8655","0.0005","90","","95.9398","0.0013","90","","863.39","0.06","203","2","203","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 O15 S2 Y -","- C12 H15 O15 S2 Y -","- C24 H30 O30 S4 Y2 -","2","0.5","","Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon","Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers","CrystEngComm","2025","27","36","5952","5958","10.1039/D5CE00639B","","","0.71073","MoKα","","0.0492","0.0337","","","0.0707","0.0837","","","","","","1.158","","","","has coordinates","302371","2025-10-04","13:53:40",""
"7250956","20.6899","0.0013","7.2134","0.0004","11.8766","0.0006","90","","93.194","0.002","90","","1769.76","0.17","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 K3 O12 S2 -","- C12 H9 K3 O12 S2 -","- C48 H36 K12 O48 S8 -","4","0.5","","Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon","Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers","CrystEngComm","2025","27","36","5952","5958","10.1039/D5CE00639B","","","0.71073","MoKα","","0.0326","0.0291","","","0.0681","0.0705","","","","","","1.066","","","","has coordinates,has disorder","302371","2025-10-04","13:53:41",""
"7250959","14.6443","0.0013","16.4598","0.0015","16.4623","0.0015","100.736","0.005","114.653","0.004","97.526","0.005","3445.2","0.6","134","2","133.77","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 Co2 N6 O10 -","- C76 H54 Co2 N6 O10 -","- C152 H108 Co4 N12 O20 -","2","1","","Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar","Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers","CrystEngComm","2025","27","45","7399","7407","10.1039/D5CE00809C","","","0.71073","MoKα","","0.1187","0.0647","","","0.1263","0.144","","","","","","1.017","","","","has coordinates,has disorder","303709","2025-11-29","19:17:13",""
"7250960","8.5731","0.0005","13.2356","0.0007","15.4444","0.0008","114.01","0.005","102.728","0.005","91.42","0.005","1548.58","0.17","176","100","176","100","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Co2 N3 O9 -","- C34 H33 Co2 N3 O9 -","- C68 H66 Co4 N6 O18 -","2","1","","Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar","Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers","CrystEngComm","2025","27","45","7399","7407","10.1039/D5CE00809C","","x-ray","0.71073","MoKα","","0.1133","0.0884","","","0.2434","0.2605","","","","","","1.079","","","","has coordinates","303709","2025-11-29","19:17:15",""
"7250961","6.8851","0.0003","14.5259","0.0007","27.3637","0.0012","90","","94.163","0.005","90","","2729.5","0.2","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 Co4 N6 O18 -","- C60 H50 Co4 N6 O18 -","- C120 H100 Co8 N12 O36 -","2","0.5","","Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar","Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers","CrystEngComm","2025","27","45","7399","7407","10.1039/D5CE00809C","","x-ray","0.71073","MoKα","","0.1477","0.0702","","","0.1505","0.1804","","","","","","1.147","","","","has coordinates","303709","2025-11-29","19:17:26",""
"7250962","7.286","0.004","15.961","0.01","6.859","0.004","90","","102.481","0.015","90","","778.8","0.8","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C2.8 H4 Ag0.2 N0.6 O0.8 -","- C2.8 H4 Ag0.2 N0.6 O0.8 -","- C28 H40 Ag2 N6 O8 -","10","5","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0649","0.0426","","","0.0848","0.0948","","","","","","1.161","","","","has coordinates","303713","2025-11-29","19:18:38",""
"7250963","13.562","0.002","14.966","0.002","7.0426","0.0011","90","","99.938","0.005","90","","1408","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag Br2 N3 O3 -","- C10 H8 Ag Br2 N3 O3 -","- C40 H32 Ag4 Br8 N12 O12 -","4","0.5","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0439","0.0287","","","0.0589","0.0633","","","","","","1.057","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250964","7.3925","0.001","8.9234","0.0012","14.7986","0.0018","80.079","0.004","82.414","0.004","82.005","0.004","946.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Ag Br3 N4 O3 -","- C15 H12 Ag Br3 N4 O3 -","- C30 H24 Ag2 Br6 N8 O6 -","2","1","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0343","0.0249","","","0.0464","0.0493","","","","","","1.033","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250965","7.1676","0.0009","8.8598","0.0012","14.8779","0.0018","79.038","0.004","83.22","0.004","83.3","0.004","916.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Ag Cl3 N4 O3 -","- C15 H12 Ag Cl3 N4 O3 -","- C30 H24 Ag2 Cl6 N8 O6 -","2","1","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0273","0.0219","","","0.0453","0.0466","","","","","","1.075","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250966","8.2271","0.0007","13.9947","0.0012","13.1526","0.001","90","","93.875","0.003","90","","1510.9","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N3 O3 -","- C14 H18 Ag N3 O3 -","- C56 H72 Ag4 N12 O12 -","4","1","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0652","0.0355","","","0.0709","0.08","","","","","","1.025","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250967","9.8316","0.001","14.5509","0.0013","10.4516","0.0011","90","","90","","90","","1495.2","0.3","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 Ag N3 O3 -","- C14 H18 Ag N3 O3 -","- C56 H72 Ag4 N12 O12 -","4","0.5","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0229","0.0171","","","0.0391","0.0417","","","","","","1.072","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250968","8.4006","0.0007","28.694","0.002","9.6056","0.0008","90","","110.131","0.003","90","","2173.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H108 Ag4 N16 O12 -","- C84 H108 Ag4 N16 O12 -","- C84 H108 Ag4 N16 O12 -","1","0.25","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0431","0.0278","","","0.0556","0.0603","","","","","","1.02","","","","has coordinates","303713","2025-11-29","19:18:39",""
"7250969","9.1118","0.0005","9.4747","0.0006","26.5196","0.0013","90","","94.91","0.005","90","","2281.1","0.2","299.49","0.1","299.49","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Br Cl3 I N3 Pt S -","- C20 H12 Br Cl3 I N3 Pt S -","- C80 H48 Br4 Cl12 I4 N12 Pt4 S4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","","0.71073","MoKα","","0.0441","0.0351","","","0.0695","0.0727","","","","","","1.129","","","","has coordinates","303690","2025-11-29","19:09:50",""
"7250970","9.2357","0.0002","9.5567","0.0002","26.4572","0.0005","90","","94.352","0.002","90","","2328.45","0.08","99.9","0.3","99.9","0.3","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl3 I2 N3 Pt S -","- C20 H12 Cl3 I2 N3 Pt S -","- C80 H48 Cl12 I8 N12 Pt4 S4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","x-ray","1.54184","CuKα","","0.0472","0.0432","","","0.1233","0.1263","","","","","","1.085","","","","has coordinates","303690","2025-11-29","19:09:50",""
"7250971","14.2022","0.0002","5.4179","0.0001","22.6784","0.0003","90","","95.358","0.001","90","","1737.39","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br2 Cl N2 Pt -","- C18 H11 Br2 Cl N2 Pt -","- C72 H44 Br8 Cl4 N8 Pt4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","x-ray","1.54184","CuKα","","0.0243","0.0234","","","0.0587","0.0593","","","","","","1.054","","","","has coordinates","303690","2025-11-29","19:09:50",""
"7250972","9.0883","0.0003","9.8987","0.0004","13.0781","0.0005","73.195","0.003","81.969","0.003","88.63","0.003","1115.08","0.07","297.88","0.1","297.88","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Br Cl4 I N2 Pt -","- C19 H12 Br Cl4 I N2 Pt -","- C38 H24 Br2 Cl8 I2 N4 Pt2 -","2","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","","0.71073","MoKα","","0.0289","0.0243","","","0.0505","0.0524","","","","","","1.047","","","","has coordinates","303690","2025-11-29","19:09:50",""
"7250973","9.1208","0.0003","9.1619","0.0003","25.3184","0.0009","90","","92.414","0.003","90","","2113.83","0.12","100.2","0.4","100.2","0.4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br2 N4 O2 Pt S -","- C20 H14 Br2 N4 O2 Pt S -","- C80 H56 Br8 N16 O8 Pt4 S4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","x-ray","0.71073","MoKα","","0.0544","0.0375","","","0.0597","0.0639","","","","","","1.094","","","","has coordinates","303690","2025-11-29","19:09:50",""
"7250974","11.7131","0.0015","12.9283","0.0016","23.679","0.003","81.723","0.002","86.491","0.002","89.546","0.002","3541.7","0.8","100.03","","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H95 Cl9 Cu4 N8 -","- C67 H95 Cl9 Cu4 N8 -","- C134 H190 Cl18 Cu8 N16 -","2","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0576","0.0455","","","0.1109","0.1181","","","","","","1.042","","","","has coordinates,has disorder","303684","2025-11-29","19:07:32",""
"7250975","26.7596","0.0017","16.0134","0.001","44.636","0.003","90","","95.211","0.001","90","","19048","2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C113 H145 Cu4 N8 -","- C113 H145 Cu4 N8 -","- C904 H1160 Cu32 N64 -","8","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0937","0.0774","","","0.2009","0.2164","","","","","","1.05","","","","has coordinates,has disorder","303684","2025-11-29","19:07:33",""
"7250976","18.8833","0.0004","25.3326","0.0006","18.958","0.0004","90","","91.053","0.001","90","","9067.3","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C95 H130 Ag4 Cl6 N8 -","- C94 H128 Ag4 Cl4 N8 -","- C376 H512 Ag16 Cl16 N32 -","4","0.5","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0409","0.0272","","","0.0541","0.0604","","","","","","1.082","","","","has coordinates","303684","2025-11-29","19:07:36",""
"7250977","14.9738","0.0017","12.7162","0.0015","23.893","0.003","90","","95.89","0.002","90","","4525.4","0.9","99.98","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H69 Ag3 N6 -","- C48 H69 Ag3 N6 -","- C192 H276 Ag12 N24 -","4","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0405","0.031","","","0.0725","0.0773","","","","","","1.033","","","","has coordinates,has disorder","303684","2025-11-29","19:07:36",""
"7250978","15.8447","0.0005","16.6587","0.0005","17.2643","0.0005","73.325","0.001","80.088","0.002","68.762","0.001","4057","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C95.6 H127.6 Cu4 N8 -","- C92 H124 Cu4 N8 -","- C184 H248 Cu8 N16 -","2","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0465","0.0382","","","0.0951","0.0994","","","","","","1.033","","","","has coordinates,has disorder","303684","2025-11-29","19:07:36",""
"7250979","12.4236","0.001","12.7605","0.001","13.4789","0.0011","76.322","0.003","87.605","0.003","62.505","0.003","1836.1","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 N2 -","- C23 H32 N2 -","- C92 H128 N8 -","4","2","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","","0.71073","MoKα","","0.1037","0.0556","","","0.1116","0.1293","","","","","","1.025","","","","has coordinates","303684","2025-11-29","19:07:36",""
"7250980","13.0607","0.0009","17.7739","0.0012","19.3443","0.0013","90","","90","","90","","4490.6","0.5","100.01","","100.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C50 H74 Ag N5 O4 -","- C50 H74 Ag N5 O4 -","- C200 H296 Ag4 N20 O16 -","4","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0477","0.0354","","","0.0624","0.0658","","","","","","1.028","","","","has coordinates","303684","2025-11-29","19:07:36",""
"7250981","28.934","0.001","18.033","0.0006","23.2794","0.0008","90","","101.016","0.002","90","","11922.6","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105 H162 Cl18 Cu6 N12 O6 -","- C105 H162 Cl18 Cu6 N12 O6 -","- C420 H648 Cl72 Cu24 N48 O24 -","4","0.5","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0517","0.0415","","","0.0919","0.0963","","","","","","1.047","","","","has coordinates","303684","2025-11-29","19:07:36",""
"7250982","14.1135","0.0005","9.5709","0.0003","15.7423","0.0005","90","","114.958","0.004","90","","1927.88","0.13","294.25","0.1","294.25","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","N-(pyrimidin-2-yl)pentanamide","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C72 H104 N24 O8 -","8","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0519","0.0441","","","0.1278","0.136","","","","","","1.08","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250983","9.4878","0.0002","5.36366","0.00009","24.6068","0.0005","90","","97.8206","0.0019","90","","1240.58","0.04","210","0.1","210","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(pyrimidin-2-yl)octanamide","","- C12 H19 N3 O -","- C12 H19 N3 O -","- C48 H76 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0493","0.0417","","","0.1108","0.1166","","","","","","1.052","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250984","5.4877","0.0001","9.4348","0.0003","10.5745","0.0003","86.598","0.002","83.945","0.002","76.146","0.002","528.28","0.02","292.66","0.13","292.66","0.13","","","","","","","","4","P -1","-P 1","2","","N-(pyrimidin-2-yl)hexanamide","","- C10 H15 N3 O -","- C10 H15 N3 O -","- C20 H30 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0475","0.0438","","","0.1312","0.136","","","","","","1.059","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250985","11.8524","0.0002","18.7728","0.0002","6.6622","0.0001","90","","90","","90","","1482.36","0.04","210","0.1","210","0.1","","","","","","","","5","C c c m","-C 2 2c","66","","N-(5-bromopyrimidin-2-yl)acetamide","","- C6 H6 Br N3 O -","- C6 H6 Br N3 O -","- C48 H48 Br8 N24 O8 -","8","0.5","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0264","0.0259","","","0.0718","0.0723","","","","","","1.143","","","","has coordinates,has disorder","303682","2025-11-29","19:06:11",""
"7250986","4.22728","0.00007","9.25178","0.00015","15.5113","0.0002","83.8025","0.0013","88.238","0.0013","77.2224","0.0013","588.149","0.016","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)hexanamide","","- C10 H14 Br N3 O -","- C10 H14 Br N3 O -","- C20 H28 Br2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0237","0.0235","","","0.0614","0.0616","","","","","","1.076","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250987","11.91357","0.00016","12.78923","0.00014","13.5543","0.0002","116.358","0.0013","103.363","0.0012","100.543","0.001","1701.06","0.05","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)propionamide","","- C7 H8 Br N3 O -","- C7 H8 Br N3 O -","- C56 H64 Br8 N24 O8 -","8","4","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0277","0.0257","","","0.07","0.0713","","","","","","1.059","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250988","8.51521","0.00009","26.9519","0.0002","9.59636","0.00007","90","","99.8219","0.0009","90","","2170.09","0.03","240","0.1","240","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-chloropyrimidin-2-yl)pentanamide","","- C9 H12 Cl N3 O -","- C9 H12 Cl N3 O -","- C72 H96 Cl8 N24 O8 -","8","2","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0495","0.0466","","","0.1302","0.1325","","","","","","1.047","","","","has coordinates,has disorder","303682","2025-11-29","19:06:11",""
"7250989","8.1664","0.0001","10.9587","0.0001","13.4268","0.0002","70.255","0.001","73.271","0.001","78.236","0.001","1075.49","0.02","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)pentanamide","","- C9 H12 Br N3 O -","- C9 H12 Br N3 O -","- C36 H48 Br4 N12 O4 -","4","2","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0243","0.0232","","","0.0633","0.064","","","","","","1.05","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250990","9.43","0.0016","6.8202","0.0014","12.068","0.002","90","","98.06","0.016","90","","768.5","0.2","294.2","0.1","294.2","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","N-(pyrimidin-2-yl)propionamide","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","0.5","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0775","0.0615","","","0.1712","0.198","","","","","","1.045","","","","has coordinates,has disorder","303682","2025-11-29","19:06:11",""
"7250991","17.7106","0.0005","5.3994","0.0002","18.1317","0.0005","90","","96.21","0.003","90","","1723.7","0.09","294.1","0.2","294.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","N-(pyrimidin-2-yl)butyramide","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C64 H88 N24 O8 -","8","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0434","0.0359","","","0.1005","0.1049","","","","","","1.06","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250992","4.59547","0.00011","8.48559","0.00018","12.8938","0.0004","89.593","0.002","87.432","0.002","76.571","0.002","488.56","0.02","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)butyramide","","- C8 H10 Br N3 O -","- C8 H10 Br N3 O -","- C16 H20 Br2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.025","0.0241","","","0.0657","0.0662","","","","","","1.111","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250993","5.4649","0.0002","10.9705","0.0004","12.1885","0.0004","92.709","0.003","102.343","0.003","100.682","0.003","698.59","0.04","210","0.1","210.15","","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)octanamide","","- C12 H18 Br N3 O -","- C12 H18 Br N3 O -","- C24 H36 Br2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","","1.54184","CuKα","","0.0472","0.0407","","","0.1018","0.105","","","","","","1.033","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250994","11.7286","0.0001","12.7307","0.0001","13.5373","0.0001","116.572","0.001","103.249","0.001","99.737","0.001","1671.82","0.03","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5- chloropyrimidin-2-yl)propionamide","","- C7 H8 Cl N3 O -","- C7 H8 Cl N3 O -","- C56 H64 Cl8 N24 O8 -","8","4","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0343","0.0326","","","0.0945","0.0961","","","","","","1.091","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250995","11.5229","0.0001","18.7942","0.0003","6.594","0.0001","90","","90","","90","","1428.02","0.03","210","0.1","210","0.1","","","","","","","","5","C c c m","-C 2 2c","66","","N-(5-chloropyrimidin-2-yl)acetamide","","- C6 H6 Cl N3 O -","- C6 H6 Cl N3 O -","- C48 H48 Cl8 N24 O8 -","8","0.5","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0397","0.0385","","","0.1004","0.102","","","","","","1.147","","","","has coordinates,has disorder","303682","2025-11-29","19:06:11",""
"7250996","4.4817","0.0001","8.3337","0.0001","12.9705","0.0002","89.426","0.001","87.812","0.001","77.427","0.001","472.475","0.014","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-chloropyrimidin-2-yl)butyramide","","- C8 H10 Cl N3 O -","- C8 H10 Cl N3 O -","- C16 H20 Cl2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0306","0.0301","","","0.0817","0.0821","","","","","","1.103","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250997","11.27079","0.00012","5.29124","0.00005","21.5186","0.0002","90","","104.083","0.001","90","","1244.72","0.02","210","0.1","210","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(5-bromopyrimidin-2-yl)heptanamide","","- C11 H16 Br N3 O -","- C11 H16 Br N3 O -","- C44 H64 Br4 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0315","0.0287","","","0.0744","0.0767","","","","","","1.082","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250998","4.7917","0.0001","7.8274","0.0002","18.7292","0.0004","98.463","0.002","97.059","0.002","100.985","0.002","673.8","0.03","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-chloropyrimidin-2-yl)octanamide","","- C12 H18 Cl N3 O -","- C12 H18 Cl N3 O -","- C24 H36 Cl2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0408","0.0374","","","0.0989","0.101","","","","","","1.063","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7250999","11.8655","0.0002","4.9261","0.00008","20.0131","0.0003","90","","104.12","0.0016","90","","1134.44","0.03","210","0.1","210","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(5-chloropyrimidin-2-yl)hexanamide","","- C10 H14 Cl N3 O -","- C10 H14 Cl N3 O -","- C40 H56 Cl4 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0879","0.0902","","","","","","1.05","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7251000","5.404","0.0003","9.4516","0.0004","11.8359","0.0003","86.634","0.003","78.835","0.003","74.9","0.004","572.59","0.04","210","0.1","210","0.1","","","","","","","","4","P -1","-P 1","2","","N-(pyrimidin-2-yl)heptanamide","","- C11 H17 N3 O -","- C11 H17 N3 O -","- C22 H34 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0544","0.0474","","","0.1306","0.1361","","","","","","1.074","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7251001","14.1859","0.0002","4.43507","0.00005","20.7479","0.0004","90","","107.348","0.0018","90","","1245.98","0.04","210","0.1","210","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-chloropyrimidin-2-yl)heptanamide","","- C11 H16 Cl N3 O -","- C11 H16 Cl N3 O -","- C44 H64 Cl4 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.035","0.0322","","","0.0891","0.0918","","","","","","1.052","","","","has coordinates","303682","2025-11-29","19:06:11",""
"7251002","26.6198","0.0002","10.98094","0.00008","8.05204","0.00005","90","","93.5077","0.0007","90","","2349.29","0.03","210","0.1","210","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-bromopyrimidin-2-yl)hexanamide","","- C10 H14 Br N3 O -","- C10 H14 Br N3 O -","- C80 H112 Br8 N24 O8 -","8","2","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0331","0.0307","","","0.0884","0.0904","","","","","","1.09","","","","has coordinates,has disorder","303682","2025-11-29","19:06:11",""
"7251003","13.0114","0.0003","13.0114","0.0003","29.2398","0.0009","90","","90","","90","","4950.2","0.2","180","","180","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","apremilast hemikis(2-chlorobenzoic acid)","N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide hemikis(2-chlorobenzoic acid)","","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C204 H212 Cl4 N16 O64 S8 -","8","1","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.046","0.0456","","0.1304","0.13","0.1304","","","","","","0.9999","","","","has coordinates","304096","2025-12-06","22:39:06",""
"7251004","13.0171","0.0001","13.0171","0.0001","29.3731","0.0005","90","","90","","90","","4977.12","0.1","180","","180","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","apremilast hemikis(3-chlorobenzoic acid)","N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide hemikis(3-chlorobenzoic acid)","","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C204 H212 Cl4 N16 O64 S8 -","8","1","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0445","0.039","","0.0979","0.0882","0.0979","","","","","","1.0001","","","","has coordinates","304096","2025-12-06","22:39:07",""
"7251005","13.0239","0.0002","13.0239","0.0002","29.5351","0.0007","90","","90","","90","","5009.8","0.16","180","","180","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","apremilast hemikis(3-bromobenzoic acid)","N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide hemikis(3-bromobenzoic acid)","","- C25.5 H26.5 Br0.5 N2 O8 S -","- C25.5 H26.5 Br0.5 N2 O8 S -","- C204 H212 Br4 N16 O64 S8 -","8","1","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0842","0.0832","","0.1981","0.1975","0.1981","","","","","","1","","","","has coordinates","304096","2025-12-06","22:39:07",""
"7251006","13.1247","0.0005","13.4043","0.0005","28.9113","0.0011","90","","90","","90","","5086.3","0.3","180","","180","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis(apremilast) 4-chlorobenzoic acid","bis(N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide) 4-chlorobenzoic acid","","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C204 H212 Cl4 N16 O64 S8 -","8","2","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0306","0.0305","","0.0837","0.0835","0.0837","","","","","","1.0114","","","","has coordinates","304096","2025-12-06","22:39:07",""
"7251007","13.2266","0.0003","13.4694","0.0003","28.8772","0.0006","90","","90","","90","","5144.6","0.2","180","","180","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis(apremilast) 4-bromobenzoic acid","bis(N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide) 4-bromobenzoic acid","","- C25.5 H26.5 Br0.5 N2 O8 S -","- C25.5 H26.5 Br0.5 N2 O8 S -","- C204 H212 Br4 N16 O64 S8 -","8","2","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0423","0.0414","","0.1185","0.1181","0.1185","","","","","","1","","","","has coordinates","304096","2025-12-06","22:39:07",""
"7251008","21.636","0.004","15.445","0.002","27.323","0.004","90","","99.797","0.005","90","","8997","2","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H29 Dy3 F54 N8 O22 -","- C63 H29 Dy3 F54 N8 O22 -","- C252 H116 Dy12 F216 N32 O88 -","4","0.5","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1063","0.0684","","","0.1584","0.1713","","","","","","1.025","","","","has coordinates,has disorder","304099","2025-12-06","22:40:45",""
"7251009","20.1753","0.0011","21.9101","0.0012","23.9762","0.0016","90","","90","","90","","10598.5","1.1","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H86 F42 N4 O13 Yb2 -","- C93 H86 F42 N4 O13 Yb2 -","- C372 H344 F168 N16 O52 Yb8 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0926","0.0571","","","0.1194","0.1345","","","","","","1.023","","","","has coordinates,has disorder","304099","2025-12-06","22:40:48",""
"7251010","20.1867","0.0019","21.914","0.002","23.957","0.003","90","","90","","90","","10597.9","1.9","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H92 F42 N4 O13 Yb2 -","- C93 H92 F42 N4 O13 Yb2 -","- C372 H368 F168 N16 O52 Yb8 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1977","0.0832","","","0.1586","0.2058","","","","","","0.973","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251011","20.3763","0.0006","21.8829","0.0006","23.9653","0.0008","90","","90","","90","","10685.9","0.6","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H92 Dy2 F42 N4 O13 -","- C93 H92 Dy2 F42 N4 O13 -","- C372 H368 Dy8 F168 N16 O52 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0609","0.0386","","","0.0793","0.09","","","","","","1.04","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251012","24.4464","0.001","18.0114","0.0007","32.9488","0.0012","90","","110.32","0.002","90","","13605","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H34 F84 N8 O34 Yb6 -","- C88 H34 F84 N8 O34 Yb6 -","- C352 H136 F336 N32 O136 Yb24 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1691","0.0669","","","0.1413","0.1827","","","","","","1.049","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251013","12.0886","0.0007","13.4975","0.0006","21.222","0.001","90","","93.84","0.003","90","","3454.9","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H22 Cl2 Dy2 F36 N8 O14 -","- C50 H22 Cl2 Dy2 F36 N8 O14 -","- C100 H44 Cl4 Dy4 F72 N16 O28 -","2","0.5","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0913","0.0568","","","0.147","0.1709","","","","","","1.056","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251014","33.7474","0.0018","10.9749","0.0006","20.4309","0.0012","90","","90","","90","","7567.1","0.7","150","2","150","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C33 H20 F9 N4 O7 S3 Yb -","- C33 H20 F9 N4 O7 S3 Yb -","- C264 H160 F72 N32 O56 S24 Yb8 -","8","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1362","0.0654","","","0.1691","0.2153","","","","","","0.915","","","","has coordinates","304099","2025-12-06","22:40:49",""
"7251015","11.695","0.0009","15.9999","0.0012","16.7054","0.0013","71.873","0.002","70.644","0.002","81.626","0.003","2799.7","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C39 H14 F36 N4 O13 Yb2 -","- C39 H14 F36 N4 O13 Yb2 -","- C78 H28 F72 N8 O26 Yb4 -","2","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0808","0.056","","","0.132","0.1573","","","","","","1.104","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251016","20.373","0.003","21.863","0.003","23.974","0.003","90","","90","","90","","10678","3","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H92 Dy2 F42 N4 O13 -","- C93 H92 Dy2 F42 N4 O13 -","- C372 H368 Dy8 F168 N16 O52 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1908","0.0816","","","0.1413","0.1841","","","","","","1.004","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251017","16.4799","0.0009","19.9305","0.0011","43.082","0.002","90","","93.33","0.003","90","","14126.5","1.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H34 Dy6 F84 N8 O34 -","- C88 H34 Dy6 F84 N8 O34 -","- C352 H136 Dy24 F336 N32 O136 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1557","0.0853","","","0.2202","0.2713","","","","","","1.042","","","","has coordinates,has disorder","304099","2025-12-06","22:40:49",""
"7251042","14.9796","0.0012","14.9796","0.0012","25.7042","0.0017","90","","90","","120","","4995","0.7","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C26 H40 N0 O33 Sc6 -","- C26 H40 O33 Sc6 -","- C78 H120 O99 Sc18 -","3","0.25","","Zhang, Liying; Li, Yan; Fan, Meiqing; Gao, Lu; Fan, Yong; Wang, Li","Homochiral coordination polymer with a 1D helical chain based on self-assembly of an achiral Sc(iii) trimer","CrystEngComm","2025","27","46","7514","7519","10.1039/D5CE00794A","","","0.71073","MoKα","","0.0933","0.0665","","","0.206","0.2339","","","","","","1.129","","","","has coordinates","303700","2025-11-29","19:12:37",""
"7251043","15.5067","0.0004","16.2821","0.0005","15.4048","0.0004","90","","103.201","0.003","90","","3786.65","0.19","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Monoclinic","","- C47 H36 Cd N2 O6 -","- C47 H36 Cd N2 O6 -","- C188 H144 Cd4 N8 O24 -","4","1","","Hossain, Ersad; Sil, Sayantan; Malik, Srikanta; Goura, Joydeb; Chatterjee, Moumita; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Influence of cations on charge transport and Schottky properties in mesaconate-bridged isostructural 1D coordination polymers","CrystEngComm","2025","27","46","7531","7539","10.1039/D5CE00789E","","x-ray","0.71073","MoKα","","0.0496","0.0373","","","0.09","0.0959","","","","","","1.06","","","","has coordinates","303701","2025-11-29","19:12:46",""
"7251044","15.3041","0.0008","15.6105","0.0015","15.5655","0.0011","90","","103.72","0.006","90","","3612.6","0.5","182","110","182","110","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Monoclinic","","- C47 H38 N2 O6 Zn -","- C47 H38 N2 O6 Zn -","- C188 H152 N8 O24 Zn4 -","4","1","","Hossain, Ersad; Sil, Sayantan; Malik, Srikanta; Goura, Joydeb; Chatterjee, Moumita; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Influence of cations on charge transport and Schottky properties in mesaconate-bridged isostructural 1D coordination polymers","CrystEngComm","2025","27","46","7531","7539","10.1039/D5CE00789E","","x-ray","0.71073","MoKα","","0.1205","0.0869","","","0.2345","0.2628","","","","","","1.085","","","","has coordinates","303701","2025-11-29","19:12:47",""
"7251045","9.5583","0.0005","9.59","0.0005","17.1147","0.0005","78.722","0.003","79.352","0.003","69.659","0.005","1430.89","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C60 H60 N14 O15 -","- C60 H60 N14 O15 -","- C60 H60 N14 O15 -","1","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Bollineni, Manjunath; Das, Arijit; Chennuru, Ramanaiah","Emphasis on pharmaceutically acceptable solvates: linking solubility with isostructurality for better drug design","CrystEngComm","2025","27","46","7562","7574","10.1039/D5CE00633C","","x-ray","1.54184","CuKα","","0.0506","0.0494","","","0.1263","0.1289","","","","","","1.052","","","","has coordinates,has disorder","303699","2025-11-29","19:12:25",""
"7251046","9.49588","0.00014","9.79722","0.00017","17.0733","0.0002","78.0108","0.0013","81.7049","0.0012","70.9622","0.0014","1463.72","0.04","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","Acalabrutinib maleate","","- C62 H62 N14 O14 -","- C62 H62 N14 O14 -","- C62 H62 N14 O14 -","1","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Bollineni, Manjunath; Das, Arijit; Chennuru, Ramanaiah","Emphasis on pharmaceutically acceptable solvates: linking solubility with isostructurality for better drug design","CrystEngComm","2025","27","46","7562","7574","10.1039/D5CE00633C","","x-ray","1.54184","CuKα","","0.0437","0.0429","","","0.1139","0.1151","","","","","","1.053","","","","has coordinates","303699","2025-11-29","19:12:26",""
"7251047","5.6929","0.0001","17.0162","0.0002","13.4451","0.0002","90","","96.135","0.001","90","","1294.99","0.03","100","0.11","100","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate 4-aminobenzoic acid","","","- C26 H35 N O10 -","- C26 H35 N O10 -","- C52 H70 N2 O20 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0352","0.0339","","","0.0836","0.0847","","","","","","1.033","","","","has coordinates,has disorder","303673","2025-11-29","19:02:32",""
"7251048","10.5562","0.0003","7.3837","0.0002","15.7892","0.0005","90","","98.315","0.003","90","","1217.73","0.06","99.99","0.11","99.99","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate urea acetonitrile solvate","","","- C22 H35 N3 O9 -","- C22 H35 N3 O9 -","- C44 H70 N6 O18 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0726","0.0659","","","0.1891","0.1972","","","","","","1.1","","","","has coordinates","303673","2025-11-29","19:02:33",""
"7251049","10.3355","0.0002","10.1548","0.0002","21.6741","0.0003","90","","102.644","0.002","90","","2219.64","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H68 N2 O16 -","- C44 H68 N2 O16 -","- C88 H136 N4 O32 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0413","0.0377","","","0.0958","0.098","","","","","","1.06","","","","has coordinates","303673","2025-11-29","19:02:33",""
"7251050","11.0046","0.0011","8.5912","0.0008","23.6155","0.0018","90","","98.743","0.009","90","","2206.7","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H68 N2 O16 -","- C44 H68 N2 O16 -","- C88 H136 N4 O32 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.1015","0.08","","","0.2265","0.2489","","","","","","1.074","","","","has coordinates","303673","2025-11-29","19:02:33",""
"7251051","9.57054","0.00018","51.5305","0.0006","9.8305","0.0002","90","","118.766","0.003","90","","4249.85","0.18","99.98","0.11","99.98","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate 1,10-phenanthroline","","","- C31 H36 N2 O8 -","- C31 H36 N2 O8 -","- C186 H216 N12 O48 -","6","3","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.048","0.0461","","","0.1203","0.122","","","","","","1.052","","","","has coordinates","303673","2025-11-29","19:02:33",""
"7251052","10.3625","0.0005","7.3357","0.0003","15.0315","0.0006","90","","93.125","0.004","90","","1140.94","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate urea cocrystal methanol solvate","","","- C21 H36 N2 O10 -","- C21 H36 N2 O10 -","- C42 H72 N4 O20 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0487","0.0466","","","0.1239","0.1258","","","","","","1.056","","","","has coordinates","303673","2025-11-29","19:02:33",""
"7251062","6.6087","0.0012","21.264","0.004","9.0465","0.0017","90","","106.598","0.019","90","","1218.3","0.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br N O3 S -","- C11 H10 Br N O3 S -","- C44 H40 Br4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1047","0.0541","","","0.1094","0.1321","","","","","","1.021","","","","has coordinates","304093","2025-12-06","22:37:06",""
"7251063","6.5344","0.001","9.1056","0.0014","11.7424","0.0019","100.892","0.013","91.458","0.013","105.79","0.014","658.01","0.19","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl N O3 S -","- C12 H12 Cl N O3 S -","- C24 H24 Cl2 N2 O6 S2 -","2","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1263","0.078","","","0.1967","0.2333","","","","","","1.018","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251064","6.5431","0.0008","20.755","0.003","9.1169","0.0012","90","","106.423","0.014","90","","1187.6","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl N O3 S -","- C11 H10 Cl N O3 S -","- C44 H40 Cl4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1025","0.0518","","","0.1108","0.144","","","","","","1.027","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251065","16.043","0.0006","37.2257","0.0016","6.8695","0.0002","90","","90","","90","","4102.5","0.3","295","","294.99","0.13","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C66 H54 Br6 I6 N6 O18 S6 -","- C66 H54 Br6 I6 N6 O18 S6 -","- C132 H108 Br12 I12 N12 O36 S12 -","2","0.25","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0967","0.0729","","","0.1259","0.1327","","","","","","1.272","","","","has coordinates,has disorder","304093","2025-12-06","22:37:07",""
"7251066","7.3872","0.0015","24.047","0.002","8.6774","0.0015","90","","113.73","0.02","90","","1411.1","0.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 I N O3 S -","- C12 H12 I N O3 S -","- C48 H48 I4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1236","0.0585","","","0.1271","0.1759","","","","","","1.038","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251067","12.5118","0.0007","9.3438","0.0008","21.996","0.002","90","","90","","90","","2571.5","0.4","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H10 I N O3 S -","- C11 H10 I N O3 S -","- C88 H80 I8 N8 O24 S8 -","8","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0695","0.0436","","","0.0975","0.1166","","","","","","1.084","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251068","7.6818","0.0006","19.4505","0.0013","9.7988","0.0005","90","","111.819","0.007","90","","1359.2","0.17","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 I N O3 S -","- C12 H12 I N O3 S -","- C48 H48 I4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0547","0.0397","","","0.083","0.0924","","","","","","1.085","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251069","13.6268","0.0011","6.7637","0.0005","15.8045","0.0015","90","","98.434","0.009","90","","1440.9","0.2","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br I N O3 S -","- C12 H11 Br I N O3 S -","- C48 H44 Br4 I4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0763","0.0691","","","0.186","0.1965","","","","","","1.061","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251070","7.518","0.001","19.441","0.003","9.745","0.0012","90","","111.921","0.014","90","","1321.3","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br N O3 S -","- C12 H12 Br N O3 S -","- C48 H48 Br4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1162","0.048","","","0.0827","0.1065","","","","","","0.994","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251071","12.925","0.0007","9.7288","0.0011","21.2989","0.0018","90","","90","","90","","2678.2","0.4","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H10 I N O3 S -","- C11 H10 I N O3 S -","- C88 H80 I8 N8 O24 S8 -","8","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0912","0.048","","","0.113","0.1417","","","","","","1.053","","","","has coordinates","304093","2025-12-06","22:37:07",""
"7251072","10.3644","0.0015","15.773","0.002","13.564","0.002","90","","104.357","0.005","90","","2148.2","0.5","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 Cd N2 O8 -","- C26 H15 Cd N2 O8 -","- C104 H60 Cd4 N8 O32 -","4","1","","Meng, Xin; Shen, Yuan; Hua, Yang; Bai, Yun-Ying; Yang, Yu-Fan; Zhang, Hong","Two Cd(ii)–viologen coordination polymers with wave-like layered structures used as multi-stimulus-responsive materials","CrystEngComm","2025","27","44","7128","7134","10.1039/D5CE00661A","","","0.71073","MoKα","","0.1118","0.0757","","","0.1835","0.2101","","","","","","1.07","","","","has coordinates","303674","2025-11-29","19:02:58",""
"7251073","21.6271","0.0004","10.1463","0.0001","21.9122","0.0004","90","","107.862","0.002","90","","4576.53","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cd2 N4 O16 -","- C52 H44 Cd2 N4 O16 -","- C208 H176 Cd8 N16 O64 -","4","1","","Meng, Xin; Shen, Yuan; Hua, Yang; Bai, Yun-Ying; Yang, Yu-Fan; Zhang, Hong","Two Cd(ii)–viologen coordination polymers with wave-like layered structures used as multi-stimulus-responsive materials","CrystEngComm","2025","27","44","7128","7134","10.1039/D5CE00661A","","x-ray","0.71073","MoKα","","0.0562","0.044","","","0.1099","0.1153","","","","","","1.092","","","","has coordinates","303674","2025-11-29","19:02:59",""
"7251074","6.869","0.0006","8.1816","0.0007","14.4226","0.0013","90","","95.38","0.003","90","","806.97","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N6 O -","- C6 H10 N6 O -","- C24 H40 N24 O4 -","4","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.108","0.0712","","","0.189","0.2602","","","","","","1.136","","","","has coordinates","303708","2025-11-29","19:16:46",""
"7251075","13.8934","0.0019","11.8961","0.0015","8.5408","0.0014","90","","121.962","0.005","90","","1197.6","0.3","170","","170","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H12 N8 O7 -","- C6 H12 N8 O7 -","- C24 H48 N32 O28 -","4","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.0708","0.0508","","","0.1021","0.1169","","","","","","1.039","","","","has coordinates","303708","2025-11-29","19:16:56",""
"7251076","8.4782","0.0012","14.2395","0.0019","6.3998","0.001","90","","97.711","0.005","90","","765.63","0.19","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O5 -","- C6 H8 N2 O5 -","- C24 H32 N8 O20 -","4","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.1573","0.0815","","","0.1895","0.2216","","","","","","1.116","","","","has coordinates","303708","2025-11-29","19:16:57",""
"7251077","7.699","0.003","12.322","0.004","14.09","0.008","90","","90","","90","","1336.7","1","100","","100","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H5 N3 O2 -","- C6 H5 N3 O2 -","- C48 H40 N24 O16 -","8","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.0961","0.0589","","","0.1291","0.1501","","","","","","1.05","","","","has coordinates","303708","2025-11-29","19:16:57",""
"7251078","14.1206","0.0006","19.4498","0.0008","8.7731","0.0003","90","","106.183","0.002","90","","2314","0.16","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N9 O5 -","- C6 H11 N9 O5 -","- C48 H88 N72 O40 -","8","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.0874","0.0519","","","0.1171","0.1378","","","","","","1.029","","","","has coordinates","303708","2025-11-29","19:16:57",""
"7251079","12.646","0.008","13.107","0.008","15.668","0.009","89.95","0.02","79.6","0.02","87.27","0.03","2551","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H13 N9 O7 -","- C6 H13 N9 O7 -","- C48 H104 N72 O56 -","8","4","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.1657","0.0948","","","0.2476","0.2906","","","","","","1.043","","","","has coordinates","303708","2025-11-29","19:16:58",""
"7251085","12.0055","0.0001","25.3262","0.0003","24.2636","0.0005","90","","94.6459","0.0015","90","","7353.2","0.19","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H104 N24 O48 P16 Pt12 -","- C96 H104 N24 O48 P16 Pt12 -","- C192 H208 N48 O96 P32 Pt24 -","2","0.5","","Uemura, Kazuhiro; Kanamori, Shota","Electrostatically assembled one-dimensional platinum chains with red-shifted MMLCT transitions","CrystEngComm","2025","27","47","7633","7637","10.1039/D5CE00818B","","","0.71073","MoKα","","0.0414","0.0309","","","0.0797","0.0883","","","","","","1.088","","","","has coordinates,has disorder","304098","2025-12-06","22:39:42",""
"7251086","13.0195","0.0003","18.9029","0.0005","15.0103","0.0003","90","","90.943","0.002","90","","3693.63","0.15","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N6 O12 P4 Pt3 -","- C24 H28 N6 O12 P4 Pt3 -","- C96 H112 N24 O48 P16 Pt12 -","4","1","","Uemura, Kazuhiro; Kanamori, Shota","Electrostatically assembled one-dimensional platinum chains with red-shifted MMLCT transitions","CrystEngComm","2025","27","47","7633","7637","10.1039/D5CE00818B","","","0.71073","MoKα","","0.0567","0.036","","","0.0648","0.0707","","","","","","1.062","","","","has coordinates","304098","2025-12-06","22:39:43",""
"7251087","33.386","0.007","11.052","0.002","14.922","0.003","90","","100.97","0.03","90","","5405.3","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N5 O4.5 -","- C29 H24 N5 O4.5 -","- C232 H192 N40 O36 -","8","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","0.71073","Synchrotron","","0.093","0.066","","","0.1866","0.2097","","","","","","1.032","","","","has coordinates","303675","2025-11-29","19:03:31",""
"7251088","32.051","0.005","32.051","0.005","28.537","0.006","90","","90","","90","","29315","9","100","2","100","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C27 H14 Cu1.5 N4 O5.5 -","- C27 H14 Cu1.5 N4 O5.5 -","- C432 H224 Cu24 N64 O88 -","16","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","0.71073","MoKα","","0.0614","0.0473","","","0.1661","0.187","","","","","","0.99","","","","has coordinates","303675","2025-11-29","19:03:32",""
"7251089","19.8544","0.0003","18.8871","0.0002","20.3096","0.0003","90","","111.172","0.002","90","","7101.87","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 Mg2 N10 O15 -","- C62 H48 Mg2 N10 O15 -","- C248 H192 Mg8 N40 O60 -","4","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","1.54184","CuKα","","0.0948","0.0884","","","0.2513","0.2573","","","","","","1.066","","","","has coordinates","303675","2025-11-29","19:03:32",""
"7251090","42.346","0.006","42.346","0.006","33.254","0.007","90","","90","","90","","59631","17","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C162 H84 Gd4 N24 O25 -","- C162 H84 Gd4 N24 O25 -","- C1296 H672 Gd32 N192 O200 -","8","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","0.71073","Synchrotron","","0.1204","0.0906","","","0.2147","0.2373","","","","","","1.033","","","","has coordinates","303675","2025-11-29","19:03:32",""
"7251091","33.9994","0.0007","33.9994","0.0007","21.8483","0.0011","90","","90","","90","","25255.7","1.5","100","2","100","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C27 H14.62 Cu1.5 N4 O5.5 -","- C27 H14 Cu1.5 N4 O5.5 -","- C432 H224 Cu24 N64 O88 -","16","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","1.54184","CuKα","","0.2255","0.092","","","0.2809","0.3772","","","","","","0.923","","","","has coordinates","303675","2025-11-29","19:03:32",""
"7251092","18.9715","0.0003","18.9715","0.0003","24.607","0.0005","90","","90","","120","","7670","0.2","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C54 H28 Ca2 N8 O10 -","- C54 H28 Ca2 N8 O10 -","- C162 H84 Ca6 N24 O30 -","3","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","1.54178","CuKα","","0.0979","0.096","","","0.2502","0.2549","","","","","","1.011","","","","has coordinates","303675","2025-11-29","19:03:32",""
"7251093","13.651","0.002","14.252","0.003","15.902","0.003","88.819","0.009","81.557","0.008","74.642","0.008","2950.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H84 N4 O17 -","- C64 H84 N4 O17 -","- C128 H168 N8 O34 -","2","1","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","1.54178","CuKα","","0.0946","0.0735","","","0.1864","0.1989","","","","","","1.1","","","","has coordinates,has disorder","304100","2025-12-06","22:42:05",""
"7251094","7.0389","0.0014","10.51","0.002","15.782","0.003","91.671","0.004","90.864","0.004","100.318","0.004","1147.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O8 -","- C26 H28 N2 O8 -","- C52 H56 N4 O16 -","2","1","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","1.54178","CuKα","","0.0428","0.0426","","","0.1118","0.112","","","","","","1.088","","","","has coordinates","304100","2025-12-06","22:42:07",""
"7251095","22.1125","0.0019","6.6904","0.0006","16.0518","0.0014","90","","90","","90","","2374.7","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H30 N2 O8 -","- C26 H30 N2 O8 -","- C104 H120 N8 O32 -","4","0.5","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","1.54178","CuKα","","0.07","0.0689","","","0.1876","0.1884","","","","","","1.149","","","","has coordinates","304100","2025-12-06","22:42:17",""
"7251096","13.123","0.003","11.645","0.002","12.458","0.002","90","","106.293","0.002","90","","1827.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br2 O2 -","- C22 H22 Br2 O2 -","- C88 H88 Br8 O8 -","4","1","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","0.71073","MoKα","","0.0188","0.0173","","","0.0425","0.043","","","","","","1.058","","","","has coordinates","304100","2025-12-06","22:42:17",""
"7251097","6.8713","0.0004","12.7549","0.0006","14.2974","0.0007","90","","97.542","0.005","90","","1242.22","0.11","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 F5 N O S -","- C13 H6 F5 N O S -","- C52 H24 F20 N4 O4 S4 -","4","1","","Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato","Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties","CrystEngComm","2025","27","47","7649","7654","10.1039/D5CE00645G","","x-ray","0.71073","MoKα","","0.0586","0.0474","","","0.147","0.1533","","","","","","1.147","","","","has coordinates","304094","2025-12-06","22:37:36",""
"7251098","12.7322","0.0006","12.9715","0.0005","8.4476","0.0004","90","","101.938","0.005","90","","1364.99","0.11","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H6 F5 N O2 S -","- C14 H6 F5 N O2 S -","- C56 H24 F20 N4 O8 S4 -","4","1","","Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato","Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties","CrystEngComm","2025","27","47","7649","7654","10.1039/D5CE00645G","","x-ray","0.71073","MoKα","","0.0315","0.0292","","","0.0816","0.0834","","","","","","1.045","","","","has coordinates","304094","2025-12-06","22:37:37",""
"7251099","10.4312","0.0005","4.2982","0.0002","23.6454","0.001","90","","97.6","0.004","90","","1050.84","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 F4 I2 N2 S2 -","- C20 H10 F4 I2 N2 S2 -","- C40 H20 F8 I4 N4 S4 -","2","0.5","","Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato","Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties","CrystEngComm","2025","27","47","7649","7654","10.1039/D5CE00645G","","x-ray","0.71073","MoKα","","0.0247","0.0217","","","0.0556","0.0571","","","","","","1.095","","","","has coordinates","304094","2025-12-06","22:37:37",""
"7251100","10.29396","0.00007","23.41077","0.00018","11.59685","0.00008","90","","91.6145","0.0006","90","","2793.61","0.03","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H19 Cl3 N4 S2 -","- C32 H19 Cl3 N4 S2 -","- C128 H76 Cl12 N16 S8 -","4","1","","Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru","Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence","CrystEngComm","2025","27","46","7484","7490","10.1039/D5CE00946D","","","1.54184","CuKα","","0.037","0.035","","","0.0912","0.0927","","","","","","1.037","","","","has coordinates","303696","2025-11-29","19:11:25",""
"7251101","11.7158","0.0001","5.8667","0.0001","17.82","0.0002","90","","106.345","0.001","90","","1175.32","0.03","123","2","123.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H18 N4 S2 -","- C31 H18 N4 S2 -","- C62 H36 N8 S4 -","2","1","","Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru","Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence","CrystEngComm","2025","27","46","7484","7490","10.1039/D5CE00946D","","","1.54184","CuKα","","0.0341","0.0333","","","0.0868","0.0878","","","","","","1.029","","","","has coordinates,has disorder","303696","2025-11-29","19:11:25",""
"7251113","8.168","0.0002","10.9027","0.0002","11.8936","0.0002","75.122","0.002","77.773","0.002","80.977","0.002","994.53","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C9.5 H7 N5 Se0.5 -","- C9.5 H7 N5 Se0.5 -","- C38 H28 N20 Se2 -","4","2","","Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A.","Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking","CrystEngComm","2025","27","45","7390","7398","10.1039/D5CE00888C","","x-ray","1.54184","CuKα","","0.04","0.0367","","","0.1211","0.1269","","","","","","1.026","","","","has coordinates","303712","2025-11-29","19:18:14",""
"7251114","11.0474","0.0002","21.2353","0.0002","8.1038","0.0001","90","","94.318","0.001","90","","1895.71","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cocryastals of 2-(4-isocyanophenyl)-5-morpholino-2H-1,2,3-triazole-4-carbonitrile with 1,2,5-selenadiazole-3,4-dicarbonitrile","","- C18 H12 N10 O Se -","- C18 H12 N10 O Se -","- C72 H48 N40 O4 Se4 -","4","1","","Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A.","Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking","CrystEngComm","2025","27","45","7390","7398","10.1039/D5CE00888C","","x-ray","1.54184","CuKα","","0.0409","0.0368","","","0.1136","0.12","","","","","","0.969","","","","has coordinates","303712","2025-11-29","19:18:15",""
"7251115","7.4527","0.0002","14.1001","0.0004","14.2337","0.0004","65.216","0.003","82.064","0.003","79.392","0.003","1331.65","0.07","99.96","0.16","100.15","","","","","","","","","4","P -1","-P 1","2","","2-(4-isocyanophenyl)-5-morpholino-2H-1,2,3-triazole-4-carbonitrile","","- C2.24 H1.92 N0.96 O0.16 -","- C2.24 H1.92 N0.96 O0.16 -","- C56 H48 N24 O4 -","25","12.5","","Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A.","Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking","CrystEngComm","2025","27","45","7390","7398","10.1039/D5CE00888C","","","1.54184","CuKα","","0.0411","0.0381","","","0.1062","0.1091","","","","","","0.948","","","","has coordinates","303712","2025-11-29","19:18:15",""
"7251116","7.7842","0.0008","22.6186","0.0009","13.3599","0.0014","90","","136.167","0.019","90","","1629.1","0.6","150","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O2 Pt S -","- C19 H13 N3 O2 Pt S -","- C76 H52 N12 O8 Pt4 S4 -","4","1","","Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R.","Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications","CrystEngComm","2025","27","46","7498","7513","10.1039/D5CE00747J","","","0.71073","MoKα","","0.0602","0.0406","","","0.0662","0.0745","","","","","","0.997","","","","has coordinates","303697","2025-11-29","19:11:50",""
"7251117","7.2737","0.0004","10.8511","0.0005","11.9475","0.0007","64.988","0.005","88.479","0.004","72.764","0.004","810.85","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 N3 O3 Pt -","- C19 H13 N3 O3 Pt -","- C38 H26 N6 O6 Pt2 -","2","1","","Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R.","Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications","CrystEngComm","2025","27","46","7498","7513","10.1039/D5CE00747J","","","0.71073","MoKα","","0.0306","0.0273","","","0.0626","0.0647","","","","","","1.024","","","","has coordinates","303697","2025-11-29","19:11:55",""
"7251118","7.08014","0.00016","15.7289","0.0007","18.5245","0.0007","73.209","0.004","84.553","0.003","80.933","0.003","1947.64","0.13","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N4 O13 Pt2 -","- C40 H42 N4 O13 Pt2 -","- C80 H84 N8 O26 Pt4 -","2","1","","Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R.","Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications","CrystEngComm","2025","27","46","7498","7513","10.1039/D5CE00747J","","","0.71073","MoKα","","0.0687","0.0469","","","0.0707","0.0778","","","","","","1.023","","","","has coordinates","303697","2025-11-29","19:11:55",""
"7251119","6.016","0.0006","10.8276","0.001","18.939","0.002","96.883","0.004","92.383","0.004","93.239","0.003","1221.4","0.2","150.9","","150.9","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 N6 O12 -","- C52 H62 N6 O12 -","- C52 H62 N6 O12 -","1","0.5","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.1176","0.0591","","","0.112","0.1325","","","","","","1.014","","","","has coordinates","303711","2025-11-29","19:17:49",""
"7251120","12.1393","0.0004","13.144","0.0004","15.0291","0.0004","73.654","0.001","81.676","0.001","84.428","0.001","2272.84","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 N5 O13 Sr2 -","- C45 H45 N5 O13 Sr2 -","- C90 H90 N10 O26 Sr4 -","2","1","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.0862","0.0508","","","0.1187","0.1338","","","","","","1.028","","","","has coordinates,has disorder","303711","2025-11-29","19:17:49",""
"7251121","5.9506","0.0005","11.1443","0.0008","13.9257","0.0011","82.324","0.002","82.077","0.002","85.923","0.002","905.17","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N4 O10 -","- C42 H40 N4 O10 -","- C42 H40 N4 O10 -","1","0.5","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.1201","0.0593","","","0.1166","0.1394","","","","","","1.024","","","","has coordinates","303711","2025-11-29","19:17:49",""
"7251122","12.1771","0.0005","13.2036","0.0006","14.7842","0.0006","72.297","0.001","81.998","0.001","82.619","0.001","2233.05","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C37.75 H37 N2 O13.75 Sr2 -","- C37.75 H37 N2 O13.75 Sr2 -","- C75.5 H74 N4 O27.5 Sr4 -","2","1","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.099","0.057","","","0.1406","0.1576","","","","","","1.04","","","","has coordinates","303711","2025-11-29","19:17:49",""
"7251160","11.9255","0.0003","8.1437","0.0002","34.919","0.0009","90","","90","","90","","3391.25","0.15","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O -","- C23 H17 N O -","- C184 H136 N8 O8 -","8","1","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1121","0.0757","","","0.1922","0.2424","","","","","","1.049","","","","has coordinates","303698","2025-11-29","19:12:11",""
"7251161","12.8489","0.0004","12.3073","0.0003","8.3025","0.0002","90","","95.371","0.002","90","","1307.15","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C72 H52 N4 O4 -","2","0.5","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.086","0.0585","","","0.1678","0.1879","","","","","","1.107","","","","has coordinates","303698","2025-11-29","19:12:11",""
"7251162","7.1764","0.0004","14.0408","0.0008","26.7227","0.0013","99.423","0.004","97.13","0.003","102.165","0.004","2561.3","0.2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C144 H104 N8 O8 -","4","2","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1162","0.0872","","","0.286","0.3224","","","","","","1.125","","","","has coordinates","303698","2025-11-29","19:12:11",""
"7251163","13.4906","0.0008","10.8297","0.0006","8.9753","0.0005","90","","101.133","0.004","90","","1286.61","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O -","- C36 H24 N2 O -","- C72 H48 N4 O2 -","2","0.5","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1477","0.0877","","","0.2118","0.2913","","","","","","1.451","","","","has coordinates","303698","2025-11-29","19:12:11",""
"7251164","13.8579","0.0005","10.9972","0.0005","8.7947","0.0004","90","","102.687","0.002","90","","1307.57","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C72 H52 N4 O4 -","2","0.5","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1129","0.0984","","","0.2816","0.297","","","","","","1.117","","","","has coordinates","303698","2025-11-29","19:12:11",""
"7251165","28.512","0.005","6.7261","0.0004","18.5315","0.0013","90","","113.557","0.012","90","","3257.7","0.7","298","2","298","2","0.38","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1066","0.0803","","","0.23","0.2592","","","","","","1.065","","","","has coordinates","304095","2025-12-06","22:38:29",""
"7251166","28.099","0.005","6.56","0.0004","18.2689","0.0011","90","","113.434","0.01","90","","3089.7","0.7","298","2","298","2","1.17","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.085","0.0651","","","0.1807","0.1967","","","","","","1.066","","","","has coordinates","304095","2025-12-06","22:38:30",""
"7251167","27.928","0.005","6.4713","0.0004","18.1487","0.0013","90","","113.447","0.012","90","","3009.2","0.7","298","2","298","2","1.68","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0799","0.0603","","","0.1622","0.1775","","","","","","1.037","","","","has coordinates","304095","2025-12-06","22:38:30",""
"7251168","27.806","0.006","6.4028","0.0005","18.0642","0.0015","90","","113.52","0.014","90","","2948.9","0.8","298","2","298","2","2.27","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0748","0.0561","","","0.1374","0.149","","","","","","1.049","","","","has coordinates","304095","2025-12-06","22:38:30",""
"7251169","28.224","0.004","6.6179","0.0004","18.353","0.001","90","","113.462","0.009","90","","3144.6","0.6","298","2","298","2","0.84","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0914","0.0699","","","0.1915","0.2092","","","","","","1.082","","","","has coordinates","304095","2025-12-06","22:38:30",""
"7251170","28.753","0.004","6.79","0.0008","18.636","0.005","90","","113.838","0.011","90","","3328","1.1","298","2","298","2","0.29","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1709","0.0958","","","0.2627","0.3232","","","","","","1.072","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251171","30.251","0.01","6.8318","0.0008","16.845","0.002","90","","105.15","0.02","90","","3360.3","1.3","296","2","296","2","0","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1127","0.0415","","","0.0814","0.1057","","","","","","1.03","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251172","28.443","0.009","6.0167","0.0007","15.7781","0.0017","90","","102.951","0.018","90","","2631.5","1","296","2","296","2","5.2","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0605","0.0307","","","0.0703","0.0836","","","","","","1.047","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251173","13.985","0.002","6.0616","0.0006","17.534","0.003","81.661","0.009","109.861","0.012","79.082","0.007","1336.9","0.4","297","","297","","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C72 H84 F4 N12 O18 -","4","4","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1436","0.0864","","","0.2288","0.2761","","","","","","1.014","","","","has coordinates,has disorder","304095","2025-12-06","22:38:31",""
"7251174","27.878","0.003","6.436","0.0006","18.107","0.003","90","","113.447","0.008","90","","2980.5","0.7","298","2","298","2","2.19","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1065","0.0652","","","0.157","0.1835","","","","","","1.028","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251175","28.697","0.007","6.1346","0.0005","15.9813","0.0014","90","","103.278","0.015","90","","2738.2","0.8","296","2","296","2","3.62","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0687","0.0375","","","0.0803","0.0965","","","","","","1.105","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251176","27.562","0.003","6.1945","0.0007","17.83","0.004","90","","113.823","0.009","90","","2784.8","0.8","298","2","298","2","4.05","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1501","0.1074","","","0.2935","0.3265","","","","","","1.204","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251177","29.962","0.013","6.6982","0.0011","16.738","0.003","90","","104.82","0.03","90","","3247.4","1.7","296","2","296","2","0.28","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1124","0.0427","","","0.0842","0.1045","","","","","","1.032","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251178","28.1035","0.0017","6.5548","0.0004","18.263","0.002","90","","113.49","0.004","90","","3085.5","0.4","298","2","298","2","1.26","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.125","0.0794","","","0.2173","0.2642","","","","","","1.034","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251179","29.63","0.007","6.5439","0.0006","16.5404","0.0016","90","","104.354","0.016","90","","3107","0.9","296","2","296","2","0.76","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0932","0.0418","","","0.0967","0.1154","","","","","","1.151","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251180","27.717","0.003","6.3111","0.0006","17.983","0.004","90","","113.633","0.009","90","","2881.9","0.8","298","2","298","2","2.99","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1261","0.0728","","","0.2063","0.2338","","","","","","1.125","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251181","28.803","0.007","6.1832","0.0005","16.0548","0.0014","90","","103.372","0.015","90","","2781.8","0.8","296","2","296","2","3","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0676","0.0357","","","0.0668","0.0815","","","","","","1.097","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251182","29.123","0.007","6.3326","0.0006","16.2627","0.0016","90","","103.781","0.017","90","","2912.9","0.8","296","2","296","2","1.81","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.08","0.0447","","","0.1096","0.1272","","","","","","1.124","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251183","29.051","0.007","6.299","0.0006","16.2226","0.0017","90","","103.694","0.016","90","","2884.2","0.8","296","2","296","2","2.16","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0748","0.0419","","","0.104","0.117","","","","","","1.113","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251184","27.834","0.002","6.401","0.0005","18.072","0.003","90","","113.524","0.005","90","","2952.2","0.6","298","2","298","2","2.4","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0949","0.0687","","","0.1754","0.1965","","","","","","1.057","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251185","29.425","0.01","6.4513","0.0008","16.439","0.002","90","","104.14","0.02","90","","3026.1","1.2","296","2","296","2","1.24","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0984","0.0493","","","0.1115","0.134","","","","","","1.106","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251186","28.547","0.007","6.0686","0.0005","15.8759","0.0014","90","","103.121","0.016","90","","2678.5","0.8","296","2","296","2","4.47","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0687","0.0376","","","0.0748","0.0928","","","","","","1.101","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251187","28.984","0.008","6.2603","0.0006","16.1666","0.0016","90","","103.6","0.018","90","","2851.2","0.9","296","2","296","2","2.47","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0746","0.0385","","","0.0658","0.0789","","","","","","1.149","","","","has coordinates","304095","2025-12-06","22:38:31",""
"7251188","8.1969","0.0003","9.9913","0.0003","11.1769","0.0003","96.179","0.002","96.375","0.002","104.189","0.003","873.27","0.05","100","","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H18 Br4 Cd N2 O -","- C11 H18 Br4 Cd N2 O -","- C22 H36 Br8 Cd2 N4 O2 -","2","1","","Li, Jia-Peng; Yuan, Li; Li, Ping; Wu, Ming; Xie, Yong-Tai; Lei, Xiao-Wu; Jing, Zhi-Hong; Gong, Zhongliang","Zero-dimensional organic–inorganic hybrid cadmium halides with broadband blue light emission","CrystEngComm","2025","27","45","7348","7357","10.1039/D5CE00873E","","x-ray","1.54184","CuKα","","0.0426","0.042","","","0.122","0.1222","","","","","","1.006","","","","has coordinates","303710","2025-11-29","19:17:36",""
"7251189","8.1636","0.0003","21.034","0.0009","9.962","0.0004","90","","102.756","0.001","90","","1668.39","0.12","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Br4 Cd F N2 -","- C10 H15 Br4 Cd F N2 -","- C40 H60 Br16 Cd4 F4 N8 -","4","1","","Li, Jia-Peng; Yuan, Li; Li, Ping; Wu, Ming; Xie, Yong-Tai; Lei, Xiao-Wu; Jing, Zhi-Hong; Gong, Zhongliang","Zero-dimensional organic–inorganic hybrid cadmium halides with broadband blue light emission","CrystEngComm","2025","27","45","7348","7357","10.1039/D5CE00873E","","","0.71073","MoKα","","0.0509","0.0329","","","0.0738","0.0821","","","","","","0.955","","","","has coordinates","303710","2025-11-29","19:17:37",""
"7251230","15.407","0.002","13.1276","0.0018","20.156","0.003","90","","109.181","0.004","90","","3850.4","0.9","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H56 In6 O36 P4 -","- C84 H56 In6 O36 P4 -","- C84 H56 In6 O36 P4 -","1","0.25","","Lv, Hong-Juan; Zhai, Yunhui; Qu, Yingjuan; Xue, Min; Wang, Gang; Yuan, Yang; Yuan, Wenyu","Construction of indium–organic frameworks with flu-topology for efficient acetylene separation","CrystEngComm","2025","27","47","7734","7742","10.1039/D5CE00945F","","","1.54184","CuKα","","0.0682","0.0644","","","0.1715","0.177","","","","","","1.0141","","","","has coordinates","304097","2025-12-06","22:39:27",""
"7251343","9.4891","0.0003","6.3751","0.0002","10.7541","0.0003","90","","105.248","0.002","90","","627.66","0.03","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Be Cd F4 H8 O4 -","- Be Cd F4 H8 O4 -","- Be4 Cd4 F16 H32 O16 -","4","0.5","","Charkin, D. O.; Kireev, V. E.; Banaru, A. M.; Kompanchenko, A. A.; Tananaev, I. G.; Aksenov, S. M.","When sulfate, selenate, and fluoroberyllate are not isostructural analogs: the case of Cd[BeF4]·4H2O and (C2H8N2)[Cd(H2O)6][BeF4]2","CrystEngComm","2025","27","42","6926","6933","10.1039/D5CE00696A","","x-ray","0.71073","MoKα","","0.0238","0.0216","","","0.0225","0.0231","","","","1.1","1.1","1.08","","","","has coordinates","303453","2025-11-27","11:30:00",""
"7251344","8.2702","0.0003","7.0248","0.0003","13.162","0.0004","90","","101.71","0.003","90","","748.75","0.05","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H22 Be2 Cd F8 N2 O6 -","- C2 H22 Be2 Cd F8 N2 O6 -","- C4 H44 Be4 Cd2 F16 N4 O12 -","2","0.5","","Charkin, D. O.; Kireev, V. E.; Banaru, A. M.; Kompanchenko, A. A.; Tananaev, I. G.; Aksenov, S. M.","When sulfate, selenate, and fluoroberyllate are not isostructural analogs: the case of Cd[BeF4]·4H2O and (C2H8N2)[Cd(H2O)6][BeF4]2","CrystEngComm","2025","27","42","6926","6933","10.1039/D5CE00696A","","x-ray","0.71073","MoKα","","0.0592","0.0461","","","0.0582","0.0619","","","","1.53","1.53","1.4","","","","has coordinates","303453","2025-11-27","11:30:02",""
"7251407","4.1764","0.0004","7.4068","0.001","12.223","0.0013","90.144","0.01","97.506","0.009","91.316","0.01","374.76","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","(E)-methyl pyruvate semicarbazone","methyl (E)-2-(2-carbamoylhydrazineylidene)propanoate","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C10 H18 N6 O6 -","2","1","","Raičević, Vidak; Radulović, Niko S.; Banić, Nemanja; Leovac, Vukadin M.; Rodić, Marko V.","Competing hydrogen bonding and acyclic π-stacking between hydrogen-bridged quasi-rings in Z- and E-methyl pyruvate semicarbazone: a quantitative interaction energy analysis","CrystEngComm","2025","27","47","7721","7733","10.1039/D5CE00911A","","x-ray","1.54184","CuKα","","0.0423","0.0384","","","0.1099","0.116","","","","","","1.087","","","","has coordinates","304030","2025-12-04","18:43:14",""
"7251408","36.4109","0.001","23.9057","0.0009","7.0463","0.0002","90","","90","","90","","6133.3","0.3","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","(Z)-methyl pyruvate semicarbazone","Methyl (Z)-2-(2-carbamoylhydrazineylidene)propanoate","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C160 H288 N96 O96 -","32","2","","Raičević, Vidak; Radulović, Niko S.; Banić, Nemanja; Leovac, Vukadin M.; Rodić, Marko V.","Competing hydrogen bonding and acyclic π-stacking between hydrogen-bridged quasi-rings in Z- and E-methyl pyruvate semicarbazone: a quantitative interaction energy analysis","CrystEngComm","2025","27","47","7721","7733","10.1039/D5CE00911A","","x-ray","0.71073","MoKα","","0.0541","0.0383","","","0.0851","0.0929","","","","","","1.036","","","","has coordinates","304030","2025-12-04","18:43:16",""