# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T04:39:10+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2026 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
"1576362","12.354","0.003","19.366","0.003","18.938","0.004","90","","98.148","0.009","90","","4485.1","1.6","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H42 N6 O -","- C52 H30 N6 -","- C208 H120 N24 -","4","1","","Xia, Wen-Li; Ran, Xiaoyun; Zhao, Yu; Zhang, Hong; Zhou, Qian; Yu, Xiao-Qi; Li, Kun","Fine-Tuning J-Aggregation via Steric Hindrance for High-Efficiency NIR-II Bioimaging and Photothermal Therapy","Materials Horizons","2026","","","","","10.1039/D5MH01966D","","","0.71073","MoKα","","0.1148","0.0796","","","0.2025","0.2345","","","","","","1.019","","","","has coordinates","303288","2025-12-27","12:51:15",""
"1576363","28.97","0.006","15.428","0.003","14.241","0.002","90","","107.4","0.011","90","","6074","2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N6 -","- C36 H26 N6 -","- C288 H208 N48 -","8","1","","Xia, Wen-Li; Ran, Xiaoyun; Zhao, Yu; Zhang, Hong; Zhou, Qian; Yu, Xiao-Qi; Li, Kun","Fine-Tuning J-Aggregation via Steric Hindrance for High-Efficiency NIR-II Bioimaging and Photothermal Therapy","Materials Horizons","2026","","","","","10.1039/D5MH01966D","","","0.71073","MoKα","","0.1185","0.0619","","","0.1362","0.161","","","","","","0.979","","","","has coordinates","303288","2025-12-27","12:51:15",""
"1576403","16.746","0.002","12.8783","0.0018","7.5195","0.0013","90","","96.248","0.016","90","","1612","0.4","296.2","0.3","296.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl4 N Sb -","- C13 H12 Cl4 N Sb -","- C52 H48 Cl16 N4 Sb4 -","4","1","","Zhao, Yuan-Yuan; Chen, Jian-Cheng; Zhang, Li; Chen, Jiabin; Liao, Qing; Li, Zhong-Qiu; Lin, Meijin; Yao, Jiannian; Zhong, Yu-Wu","A pyridinium cation engineering strategy to achieve high-performance X-ray scintillation of antimony halides","Chemical Science","2026","","","","","10.1039/D5SC08289G","","x-ray","0.71073","MoKα","","0.1048","0.0635","","","0.1351","0.15","","","","","","1.032","","","","has coordinates","303288","2025-12-27","12:51:15",""
"1576404","6.9093","0.0002","12.2402","0.0003","16.5732","0.0004","104.076","0.002","101.79","0.002","96.385","0.002","1311.6","0.06","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl5.01 N4 O2 Sb -","- C24 H22 Cl5 N4 O2 Sb -","- C48 H44 Cl10 N8 O4 Sb2 -","2","1","","Zhao, Yuan-Yuan; Chen, Jian-Cheng; Zhang, Li; Chen, Jiabin; Liao, Qing; Li, Zhong-Qiu; Lin, Meijin; Yao, Jiannian; Zhong, Yu-Wu","A pyridinium cation engineering strategy to achieve high-performance X-ray scintillation of antimony halides","Chemical Science","2026","","","","","10.1039/D5SC08289G","","x-ray","0.71073","MoKα","","0.0206","0.0184","","","0.0449","0.0455","","","","","","1.018","","","","has coordinates","303288","2025-12-27","12:51:15",""
"1576405","17.9664","0.0004","15.6304","0.0003","16.1234","0.0003","90","","98.88","0.002","90","","4473.53","0.16","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H53.74 Cl3 F3 N7.75 O3.25 Rh2 S -","- C37.478 H53.673 Cl3 F3 N7.761 O3.239 Rh2 S -","- C149.912 H214.692 Cl12 F12 N31.044 O12.956 Rh8 S4 -","4","1","","Yan, Liping; Moriyama, Takumi; Akita, Yutaro; Muratsugu, Satoshi; Tada, Mizuki; Yamashita, Makoto; Morimoto, Yuma","Low-oxidation state dirhodium complex produced by four-electron reduction of dirhodium(ii) complex supported by a flexible macrocyclic ligand","Chemical Science","2026","","","","","10.1039/D5SC07037F","","","0.71073","MoKα","","0.0555","0.0508","","","0.1198","0.1212","","","","","","1.274","","","","has coordinates,has disorder","303288","2025-12-27","12:51:15",""
"1576406","11.588","0.0003","20.6879","0.0007","27.049","0.0008","90","","102.188","0.003","90","","6338.3","0.3","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 F12 N12 O12 Rh2 S4 -","- C48 H64 F12 N12 O12 Rh2 S4 -","- C192 H256 F48 N48 O48 Rh8 S16 -","4","1","","Yan, Liping; Moriyama, Takumi; Akita, Yutaro; Muratsugu, Satoshi; Tada, Mizuki; Yamashita, Makoto; Morimoto, Yuma","Low-oxidation state dirhodium complex produced by four-electron reduction of dirhodium(ii) complex supported by a flexible macrocyclic ligand","Chemical Science","2026","","","","","10.1039/D5SC07037F","","x-ray","0.71073","MoKα","","0.0721","0.0566","","","0.1229","0.1286","","","","","","1.101","","","","has coordinates,has disorder","303288","2025-12-27","12:51:15",""
"1576407","18.9151","0.0003","10.8332","0.0002","34.3806","0.0007","90","","96.308","0.002","90","","7002.3","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N6 O Rh2 -","- C36 H56 N6 O Rh2 -","- C288 H448 N48 O8 Rh16 -","8","2","","Yan, Liping; Moriyama, Takumi; Akita, Yutaro; Muratsugu, Satoshi; Tada, Mizuki; Yamashita, Makoto; Morimoto, Yuma","Low-oxidation state dirhodium complex produced by four-electron reduction of dirhodium(ii) complex supported by a flexible macrocyclic ligand","Chemical Science","2026","","","","","10.1039/D5SC07037F","","","0.71073","MoKα","","0.082","0.0741","","","0.1564","0.1602","","","","","","1.134","","","","has coordinates,has disorder","303288","2025-12-27","12:51:15",""
"1576408","9.7299","0.0004","9.942","0.0004","11.2199","0.0004","107.213","0.003","91.691","0.003","110.555","0.004","959.88","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H64 N6 O Rh2 -","- C40 H64 N6 O Rh2 -","- C40 H64 N6 O Rh2 -","1","0.5","","Yan, Liping; Moriyama, Takumi; Akita, Yutaro; Muratsugu, Satoshi; Tada, Mizuki; Yamashita, Makoto; Morimoto, Yuma","Low-oxidation state dirhodium complex produced by four-electron reduction of dirhodium(ii) complex supported by a flexible macrocyclic ligand","Chemical Science","2026","","","","","10.1039/D5SC07037F","","","0.71073","MoKα","","0.0615","0.0466","","","0.1161","0.1236","","","","","","1.05","","","","has coordinates,has disorder","303288","2025-12-27","12:51:15",""
"1576410","5.7988","0.0003","5.7988","0.0003","11.5416","0.001","90","","90","","120","","336.1","0.04","273","2","273","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- K0.67 O4 Sc0.67 Te1.33 -","- K0.666667 O4 Sc0.666667 Te1.33333 -","- K2 O12 Sc2 Te4 -","3","0.25","","Wang, Xiaoxu; Zhang, Tinghui; Zhao, Huijian; Jia, Ning; Liu, Hongjun; Ye, Ning; Hu, Zhanggui; Li, Conggang","Tailoring ordered structures with distorted [TeO3] and aligned [ScO6] motifs for balanced nonlinear optical properties in rare-earth tellurate crystals","Chemical Science","2026","","","","","10.1039/D5SC07486J","","","0.71073","MoKα","","0.0253","0.0202","","","0.0451","0.047","","","","","","1.044","","","","has coordinates","303288","2025-12-27","12:51:15",""
"1576411","5.8371","0.0003","5.8371","0.0003","11.7832","0.0013","90","","90","","120","","347.69","0.05","273","2","273","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- O4 P0 Rb0.67 Sc0.67 Te1.33 -","- O4 Rb0.666667 Sc0.666667 Te1.33333 -","- O12 Rb2 Sc2 Te4 -","3","0.25","","Wang, Xiaoxu; Zhang, Tinghui; Zhao, Huijian; Jia, Ning; Liu, Hongjun; Ye, Ning; Hu, Zhanggui; Li, Conggang","Tailoring ordered structures with distorted [TeO3] and aligned [ScO6] motifs for balanced nonlinear optical properties in rare-earth tellurate crystals","Chemical Science","2026","","","","","10.1039/D5SC07486J","","","0.71073","MoKα","","0.0152","0.0135","","","0.0354","0.0359","","","","","","1.203","","","","has coordinates","303288","2025-12-27","12:51:15",""
"1576412","18.9883","0.0017","4.9718","0.0004","10.9031","0.001","90","","103.906","0.004","90","","999.15","0.15","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C52 H36 N8 O4 -","2","0.5","","Parbin, Minaz; Sivalingam, Vellaiyadevan; Venkatachalam, Ramkumar; Chand, Dillip Kumar","Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages","Chemical Science","2026","","","","","10.1039/D5SC05568G","","","0.71073","MoKα","","0.0558","0.0515","","","0.1585","0.1624","","","","","","1.0545","","","","has coordinates,has disorder","303288","2025-12-27","12:51:15",""
"1576413","35.3355","0.0018","21.0797","0.001","12.7746","0.0007","90","","90","","90","","9515.3","0.8","110","2","110","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C96 H90 N22 O22 Pd2 -","- C86 H65 N17 O17 Pd2 -","- C344 H260 N68 O68 Pd8 -","4","0.5","","Parbin, Minaz; Sivalingam, Vellaiyadevan; Venkatachalam, Ramkumar; Chand, Dillip Kumar","Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages","Chemical Science","2026","","","","","10.1039/D5SC05568G","","","0.71073","MoKα","","0.0818","0.0778","","","0.2019","0.2052","","","","","","1.1689","","","","has coordinates,has disorder","303288","2025-12-27","12:51:15",""
"1576414","22.5648","0.0007","12.5886","0.0004","43.6132","0.0014","90","","94.89","0.001","90","","12343.6","0.7","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C126 H137 B2 F8 N15 O14 Pd2 S6 -","- C100 H84 B2 F8 N12 O8 Pd2 S4 -","- C400 H336 B8 F32 N48 O32 Pd8 S16 -","4","0.5","","Parbin, Minaz; Sivalingam, Vellaiyadevan; Venkatachalam, Ramkumar; Chand, Dillip Kumar","Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages","Chemical Science","2026","","","","","10.1039/D5SC05568G","","","0.71073","MoKα","","0.1263","0.0978","","","0.2556","0.2906","","","","","","1.052","","","","has coordinates,has disorder","303288","2025-12-27","12:51:15",""
"1576415","37.422","0.005","19.921","0.003","12.7873","0.0018","90","","90","","90","","9533","2","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C108 H106 N13 O12 Pd2 S3 -","- C86 H69 N13 O9 Pd2 S -","- C344 H276 N52 O36 Pd8 S4 -","4","0.5","","Parbin, Minaz; Sivalingam, Vellaiyadevan; Venkatachalam, Ramkumar; Chand, Dillip Kumar","Conformational Adaptability Enabled Higher-Order Self-Sorting Processes in Coordination Cages","Chemical Science","2026","","","","","10.1039/D5SC05568G","","","0.71073","MoKα","","0.0867","0.0687","","","0.1866","0.2039","","","","","","1.137","","","","has coordinates","303288","2025-12-27","12:51:15",""
"1576416","8.6194","0.0003","14.7562","0.0005","19.1239","0.0007","98.4574","0.0015","100.39","0.0016","97.2586","0.0015","2337.06","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H38 Cl2 F6 N2 O16 Pd2 -","- C45 H38 Cl2 F6 N2 O16 Pd2 -","- C90 H76 Cl4 F12 N4 O32 Pd4 -","2","1","","Qiu, Qianfeng; Usuba, Junichi; Koay, Wai Lean; Oppenheimer, Vincent Conrad; Wu, Man Wai; Zheng, Shao-Liang; Truong, Vinh Xuan; Han, Grace G. D.","Visible Photon Energy Storage by [2+2] Cycloaddition of Pd-Oxazolones","Chemical Science","2026","","","","","10.1039/D5SC07833D","","","0.71073","MoKα","","0.0335","0.027","","","0.0529","0.0559","","","","","","1.086","","","","has coordinates","303288","2025-12-27","12:51:15",""
"3500149","19.9626","0.0005","5.4251","0.0001","7.9004","0.0002","90","","94.46","0.001","90","","853.02","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Thierry Maris","Non spherical atom form-factors refinement of 4-Hydroxybiphenyl","Personal communication to COD","2026","","","","","","","x-ray","1.34139","GaKα","","0.0441","0.0422","","","0.1253","0.1291","","","","","","1.1135","","","","has coordinates,has Fobs","303298","2026-01-21","12:31:36",""
"3500150","12.7636","0.0005","4.5286","0.0002","12.0133","0.0005","90","","110.499","0.001","90","","650.41","0.05","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hydrazinium Bromide","","- Br H5 N2 -","- Br H5 N2 -","- Br8 H40 N16 -","8","1","","Thierry Maris","Hydrazinium Bromide at 150 K","Personal communication to COD","2026","","","","","","","x-ray","1.34139","GaKα","","0.0285","0.0282","","","0.0849","0.0851","","","","","","1.205","","","","has coordinates,has Fobs","303299","2026-01-21","12:31:38",""
"7064146","14.7584","0.0001","15.3917","0.0001","28.804","0.0001","90","","90","","90","","6543.03","0.07","103","2","103","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Br Cl2 Fe Mn N2 O3 P -","- C33 H29 Br Cl2 Fe Mn N2 O3 P -","- C264 H232 Br8 Cl16 Fe8 Mn8 N16 O24 P8 -","8","2","","Yang, Runqian; Bandyopadhyay, Uchchhal; Mallet-Ladeira, Sonia; Poli, Rinaldo; Manoury, Eric; Labande, Agnès","Asymmetric hydrogenation of ketones with planar chiral manganese(i) complexes","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03919C","","x-ray","1.54184","CuKα","","0.0339","0.0334","","","0.0888","0.0891","","","","","","1.041","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064147","13.9449","0.0002","14.3934","0.0002","22.7282","0.0001","83.071","0.001","89.592","0.001","61.467","0.002","3971.86","0.11","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C67 H60 Br4 Cl2 Fe2 Mn3 N4 O8 P2 -","- C67 H60 Br4 Cl2 Fe2 Mn3 N4 O8 P2 -","- C134 H120 Br8 Cl4 Fe4 Mn6 N8 O16 P4 -","2","1","","Yang, Runqian; Bandyopadhyay, Uchchhal; Mallet-Ladeira, Sonia; Poli, Rinaldo; Manoury, Eric; Labande, Agnès","Asymmetric hydrogenation of ketones with planar chiral manganese(i) complexes","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03919C","","x-ray","1.54184","CuKα","","0.0512","0.0494","","","0.1374","0.139","","","","","","1.048","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064148","10.9923","0.0001","10.9923","0.0001","61.8008","0.0006","90","","90","","120","","6466.99","0.1","296","2","296","2","","","","","","","","4","P 61","P 61","169","","","","- C46 H60 N2 O10 -","- C46 H60 N2 O10 -","- C276 H360 N12 O60 -","6","1","","Parmar, Binal B.; Abraham, Alex; Butcher, Raymond J.; Bedekar, Ashutosh","Synthesis of chiral cyclohexanol derived benzylamines, applications for enantiodiscrimination of optically active analytes by NMR spectroscopy","New Journal of Chemistry","2026","","","","","10.1039/D5NJ02505B","","","1.54184","CuKα","","0.0594","0.0559","","","0.1718","0.1771","","","","","","1.065","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064149","11.7749","0.0004","13.8665","0.0004","18.1394","0.0007","96.868","0.001","99.566","0.002","107.863","0.001","2733.48","0.16","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H58 Cl N2 O9 P2 Rh -","- C63 H58 Cl N2 O9 P2 Rh -","- C126 H116 Cl2 N4 O18 P4 Rh2 -","2","1","","Shao, Tai-ming; Liao, Hai-Xia; Li, Qiu-Ming; Tan, Mingxiong; Liang, Chun-Jie; Liang, Hong; Qin, Qi-Pin","Designing mitophagy-targeted robustine- and 4-acridinol-rhodium(III) coordination compounds to overcome cisplatin resistance in A549/DDP lung cancer cells","New Journal of Chemistry","2026","","","","","10.1039/D5NJ02700D","","","0.71073","MoKα","","0.0535","0.0405","","","0.1055","0.1176","","","","","","1.018","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064150","15.946","0.003","18.321","0.003","24.503","0.006","90","","90.963","0.019","90","","7157","3","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C44 H31 Cl N2 O2 P Rh -","- C44 H31 Cl N2 O2 P Rh -","- C352 H248 Cl8 N16 O16 P8 Rh8 -","8","1","","Shao, Tai-ming; Liao, Hai-Xia; Li, Qiu-Ming; Tan, Mingxiong; Liang, Chun-Jie; Liang, Hong; Qin, Qi-Pin","Designing mitophagy-targeted robustine- and 4-acridinol-rhodium(III) coordination compounds to overcome cisplatin resistance in A549/DDP lung cancer cells","New Journal of Chemistry","2026","","","","","10.1039/D5NJ02700D","","x-ray","0.71073","MoKα","","0.2715","0.145","","","0.3346","0.4498","","","","","","1.01","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064151","10.8542","0.0003","9.0975","0.0002","22.1134","0.0006","90","","93.299","0.001","90","","2179.99","0.1","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[2-(trimethylsilyl)ethynyl]-2,2-diphenyl-1,2-dihydroquinoline N-oxyl","","- C26 H24 N O Si -","- C26 H24 N O Si -","- C104 H96 N4 O4 Si4 -","4","1","","Takii, Masaomi; Nishiura, Fumiteru; Yao, Masaru; Inoue, Hidenari; Miura, Youhei; Yoshioka, Naoki","Synthesis and Magnetic Properties of 2,2-Diphenyl-1,2-dihydroquinoline N-Oxyl Carrying Ethynyl Group at 5-Position","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04269K","","","0.71073","MoKα","","0.1025","0.0649","","","0.1601","0.2123","","","","","","1.153","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064152","9.7866","0.0005","12.2573","0.0007","13.7175","0.0007","90","","90","","90","","1645.51","0.15","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-ethynyl-2,2-diphenyl-1,2-dihydroquinoline N-oxyl","","- C23 H16 N O -","- C23 H16 N O -","- C92 H64 N4 O4 -","4","1","","Takii, Masaomi; Nishiura, Fumiteru; Yao, Masaru; Inoue, Hidenari; Miura, Youhei; Yoshioka, Naoki","Synthesis and Magnetic Properties of 2,2-Diphenyl-1,2-dihydroquinoline N-Oxyl Carrying Ethynyl Group at 5-Position","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04269K","","","0.71073","MoKα","","0.0559","0.0433","","","0.1114","0.1317","","","","","","1.117","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064153","12.2498","0.0001","13.7016","0.0002","9.7862","0.0001","90","","90","","90","","1642.53","0.03","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-ethynyl-2,2-diphenyl-1,2-dihydroquinoline N-oxyl","","- C23 H16 N O -","- C23 H16 N O -","- C92 H64 N4 O4 -","4","1","","Takii, Masaomi; Nishiura, Fumiteru; Yao, Masaru; Inoue, Hidenari; Miura, Youhei; Yoshioka, Naoki","Synthesis and Magnetic Properties of 2,2-Diphenyl-1,2-dihydroquinoline N-Oxyl Carrying Ethynyl Group at 5-Position","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04269K","","","1.54178","CuKα","","0.0406","0.0318","","","0.0791","0.0807","","","","","","1.046","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064154","50.4688","0.0004","10.73782","0.00009","17.3477","0.00017","90","","90","","90","","9401.15","0.14","99.9","0.5","99.9","0.5","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C33 H28 O -","- C33 H28 O -","- C528 H448 O16 -","16","2","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0952","0.0922","","","0.2435","0.2471","","","","","","1.097","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064155","12.5132","0.0001","18.0414","0.0001","13.3588","0.0001","90","","102.914","0.001","90","","2939.54","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H64 N2 Na2 O2 -","- C76 H64 N2 Na2 O2 -","- C152 H128 N4 Na4 O4 -","2","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0377","0.036","","","0.0919","0.0932","","","","","","1.037","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064156","11.1331","0.0003","11.7087","0.0002","11.9357","0.0003","86.021","0.0019","83.123","0.002","83.042","0.002","1530.92","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C81 H69 Li2 N3 O2 -","- C81 H69 Li2 N3 O2 -","- C81 H69 Li2 N3 O2 -","1","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.068","0.0643","","","0.1814","0.1858","","","","","","1.087","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064157","8.9421","0.0001","11.338","0.0002","18.022","0.0002","74.276","0.001","81.494","0.001","78.602","0.001","1715.47","0.04","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Li N3 O -","- C42 H48 Li N3 O -","- C84 H96 Li2 N6 O2 -","2","1","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.043","0.0416","","","0.1088","0.11","","","","","","1.044","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064158","27.85728","0.00016","17.91332","0.00008","15.50682","0.00008","90","","100.643","0.0005","90","","7605.05","0.07","99.9","0.5","99.9","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H84 Li2 N6 O2 -","- C86 H74 Li2 N4 O2 -","- C344 H296 Li8 N16 O8 -","4","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0487","0.0473","","","0.1169","0.118","","","","","","1.031","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064159","10.7669","0.0001","11.3608","0.0002","12.8692","0.0002","90.457","0.001","99.184","0.001","111.163","0.001","1445.5","0.04","99.9","0.5","99.9","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C74 H70 K2 O4 -","- C74 H70 K2 O4 -","- C74 H70 K2 O4 -","1","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0403","0.0399","","","0.1042","0.1046","","","","","","1.095","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064160","12.3599","0.0001","15.1436","0.0002","16.7657","0.0002","90","","104.433","0.001","90","","3039.05","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 K2 N2 O2 -","- C76 H64 K2 N2 O2 -","- C152 H128 K4 N4 O4 -","2","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0403","0.0387","","","0.0999","0.1011","","","","","","1.043","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064161","10.8054","0.0003","14.1131","0.0003","24.2657","0.0002","90.411","0.001","94.438","0.001","111.613","0.002","3427.44","0.13","99.9","0.2","99.9","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H86 Li2 O4 -","- C88 H86 Li2 O4 -","- C176 H172 Li4 O8 -","2","1","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.1006","0.089","","","0.273","0.2842","","","","","","1.074","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064162","13.1871","0.0001","19.1661","0.0001","17.4859","0.0001","90","","106.105","0.001","90","","4246.04","0.05","100","0.3","100","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H59 Na O9 -","- C49 H59 Na O9 -","- C196 H236 Na4 O36 -","4","1","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0362","0.0348","","","0.0872","0.0882","","","","","","1.032","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064163","12.4199","0.0001","18.3706","0.0001","13.3175","0.0001","90","","103.379","0.001","90","","2956.07","0.04","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H70 Na2 O4 -","- C74 H70 Na2 O4 -","- C148 H140 Na4 O8 -","2","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0385","0.0365","","","0.0929","0.0942","","","","","","1.057","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064164","12.2267","0.0001","14.8345","0.0001","17.1733","0.0001","90","","106.337","0.001","90","","2989.08","0.04","99.97","0.18","99.97","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C74 H70 K2 O4 -","- C74 H70 K2 O4 -","- C148 H140 K4 O8 -","2","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0365","0.0357","","","0.0937","0.0943","","","","","","1.086","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064165","14.0182","0.0001","23.2391","0.0003","23.557","0.0003","90","","90.153","0.001","90","","7674.14","0.15","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C90 H103 K O11 -","- C89.996 H102.992 K O10.999 -","- C359.984 H411.968 K4 O43.996 -","4","1","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.06","0.0473","","","0.117","0.1246","","","","","","1.026","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064166","11.0879","0.0002","13.4341","0.0002","14.7219","0.0002","80.838","0.001","68.502","0.001","72.663","0.001","1944.57","0.06","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H51 Na O7 -","- C45 H51 Na O7 -","- C90 H102 Na2 O14 -","2","1","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0338","0.0328","","","0.0825","0.0833","","","","","","1.031","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064167","10.7672","0.0001","27.4493","0.0002","12.3213","0.0001","90","","93.552","0.001","90","","3634.59","0.05","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88.24 H98.46 Li2 O7.56 -","- C80.104 H82.208 Li2 O5.526 -","- C160.208 H164.416 Li4 O11.052 -","2","0.5","","Bardonov, Daniil; Nasyrova, Darina; Metlin, Mikhail T.; Minyaev, Mikhail E.; Taydakov, Ilya V.; Roitershtein, Dmitrii M.","Synthesis, Structural and Photophysical Studies of Mono-and Dinuclear Alkali Metal 2,6-dibenzhydryl-4-methylphenolates","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03734D","","x-ray","1.54184","CuKα","","0.0583","0.0571","","","0.1526","0.1536","","","","","","1.041","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064168","7.823","0.0001","15.2957","0.0002","16.3651","0.0002","90","","90","","90","","1958.22","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O5 Ru -","- C20 H25 N3 O5 Ru -","- C80 H100 N12 O20 Ru4 -","4","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0258","0.0253","","","0.0626","0.0628","","","","","","1.113","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064169","9.4175","0.0003","10.0566","0.0004","12.3547","0.0005","78.091","0.003","85.705","0.003","72.853","0.003","1093.89","0.07","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O6 Ru -","- C21 H27 N3 O6 Ru -","- C42 H54 N6 O12 Ru2 -","2","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0619","0.058","","","0.1524","0.1557","","","","","","1.034","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064170","8.2408","0.0002","10.3384","0.0003","14.7449","0.0004","109.197","0.002","91.635","0.002","112.158","0.002","1081.91","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N5 O6 Ru -","- C19 H25 N5 O6 Ru -","- C38 H50 N10 O12 Ru2 -","2","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","0.71073","MoKα","","0.0379","0.0322","","","0.0778","0.0804","","","","","","1.061","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064171","9.9781","0.0002","12.8763","0.0002","15.9233","0.0003","81.329","0.002","75.973","0.002","72.202","0.002","1883.32","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H34 Cl6 N4 O6 Ru -","- C35 H34 Cl6 N4 O6 Ru -","- C70 H68 Cl12 N8 O12 Ru2 -","2","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","0.71073","MoKα","","0.0334","0.0287","","","0.0737","0.0758","","","","","","1.047","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064172","8.3578","0.0001","13.6138","0.0003","14.4275","0.0002","108.467","0.002","104.556","0.001","107.864","0.002","1367.11","0.05","150","0.02","150","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N4 O4 Ru -","- C28 H28 Cl2 N4 O4 Ru -","- C56 H56 Cl4 N8 O8 Ru2 -","2","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0329","0.0323","","","0.0836","0.084","","","","","","1.055","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064173","12.9825","0.0003","13.1403","0.0002","13.4427","0.0003","90","","90","","90","","2293.24","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N4 O4 Ru -","- C26 H24 N4 O4 Ru -","- C104 H96 N16 O16 Ru4 -","4","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","0.71073","MoKα","","0.0368","0.0299","","","0.069","0.0713","","","","","","1.024","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064174","17.2384","0.0001","14.0947","0.0001","9.534","0.0001","90","","93.494","0.001","90","","2312.17","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 O4 Ru -","- C27 H29 N3 O4 Ru -","- C108 H116 N12 O16 Ru4 -","4","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0283","0.0276","","","0.0715","0.0719","","","","","","1.099","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064175","12.99141","0.00015","14.05629","0.00016","12.95619","0.00016","90","","90","","90","","2365.94","0.05","150","0.1","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H26 N4 O6 Ru -","- C26 H26 N4 O6 Ru -","- C104 H104 N16 O24 Ru4 -","4","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0421","0.0415","","","0.1178","0.1186","","","","","","1.156","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064176","9.9817","0.0005","14.0691","0.0008","26.5049","0.0015","90","","93.04","0.004","90","","3716.9","0.4","149.98","0.1","149.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C136 H136.2 Cl17.37 N20 O35.2 Ru4 -","- C136 H136.2 Cl17.372 N20 O35.2 Ru4 -","- C136 H136.2 Cl17.372 N20 O35.2 Ru4 -","1","0.25","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.1276","0.1017","","","0.2606","0.2764","","","","","","1.066","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064177","13.3048","0.0001","13.5619","0.0002","12.1496","0.0001","90","","96.67","0.001","90","","2177.42","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H53 N6 O8 Ru2 -","- C46 H53 N6 O8 Ru2 -","- C92 H106 N12 O16 Ru4 -","2","0.25","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0368","0.0367","","","0.0798","0.0799","","","","","","1.139","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064178","17.2442","0.0001","12.159","0.0001","22.0006","0.0002","90","","90","","90","","4612.91","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H27 N3 O4 Ru -","- C26 H27 N3 O4 Ru -","- C208 H216 N24 O32 Ru8 -","8","2","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","x-ray","1.54184","CuKα","","0.0343","0.0324","","","0.0787","0.0794","","","","","","1.124","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064179","9.7789","0.0008","10.0997","0.0009","10.8427","0.0009","74.531","0.003","64.202","0.003","79.03","0.003","925.81","0.14","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N3 O5 Ru -","- C18 H21 N3 O5 Ru -","- C36 H42 N6 O10 Ru2 -","2","1","","Awe, Babatunde; Swart, Glendin; Erasmus, Elizabeth; Landman, Marilé; Malan, Frederick Pieter","Unlocking reactivity: synthetic, structural and catalytic exploration of ruthenium(II) complexes featuring pdc and NHC ligands","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03988F","","","0.71073","MoKα","","0.0578","0.0437","","","0.0959","0.103","","","","","","1.061","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064180","14.775","0.001","12.4393","0.0009","22.4001","0.0016","90","","90","","90","","4116.9","0.5","99.99","","99.99","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H61 N4 Nd O5 -","- C45 H61 N4 Nd O5 -","- C180 H244 N16 Nd4 O20 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Guizouarn, Thierry; Fischer, Roland C.; Torvisco, Ana; Mautner, Franz A.; Smith, Asia M.; Salem, Nahed M. H.; Velmurugan, Gunasekaran; Comba, Peter; Pointillart, Fabrice","Structural and magnetic properties of lanthanide–tetraphenol–cyclen complexes: slow magnetic relaxation of the Nd(iii) complex","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03826J","","x-ray","0.71073","MoKα","","0.0949","0.0414","","","0.0634","0.0765","","","","","","0.983","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064181","14.9515","0.0007","12.4578","0.0006","22.3763","0.0011","90","","90","","90","","4167.9","0.3","99.97","","99.97","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H61 Ho N4 O5 -","- C45 H61 Ho N4 O5 -","- C180 H244 Ho4 N16 O20 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Guizouarn, Thierry; Fischer, Roland C.; Torvisco, Ana; Mautner, Franz A.; Smith, Asia M.; Salem, Nahed M. H.; Velmurugan, Gunasekaran; Comba, Peter; Pointillart, Fabrice","Structural and magnetic properties of lanthanide–tetraphenol–cyclen complexes: slow magnetic relaxation of the Nd(iii) complex","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03826J","","x-ray","0.71073","MoKα","","0.0365","0.0274","","","0.0572","0.0614","","","","","","1.044","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064182","13.1871","0.0006","18.6904","0.0008","17.053","0.0006","90","","102.217","0.002","90","","4107.9","0.3","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H49 Cl4 Ho N4 O6 -","- C40 H49 Cl4 Ho N4 O6 -","- C160 H196 Cl16 Ho4 N16 O24 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Guizouarn, Thierry; Fischer, Roland C.; Torvisco, Ana; Mautner, Franz A.; Smith, Asia M.; Salem, Nahed M. H.; Velmurugan, Gunasekaran; Comba, Peter; Pointillart, Fabrice","Structural and magnetic properties of lanthanide–tetraphenol–cyclen complexes: slow magnetic relaxation of the Nd(iii) complex","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03826J","","","0.71073","MoKα","","0.0506","0.0327","","","0.055","0.059","","","","","","1.041","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064183","14.8229","0.0004","12.4491","0.0004","22.4326","0.0008","90","","90","","90","","4139.5","0.2","99.98","","99.98","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H61 Gd N4 O5 -","- C45 H61 Gd N4 O5 -","- C180 H244 Gd4 N16 O20 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Guizouarn, Thierry; Fischer, Roland C.; Torvisco, Ana; Mautner, Franz A.; Smith, Asia M.; Salem, Nahed M. H.; Velmurugan, Gunasekaran; Comba, Peter; Pointillart, Fabrice","Structural and magnetic properties of lanthanide–tetraphenol–cyclen complexes: slow magnetic relaxation of the Nd(iii) complex","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03826J","","x-ray","0.71073","MoKα","","0.0528","0.0409","","","0.0698","0.0734","","","","","","1.054","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064184","12.6177","0.0013","15.4777","0.0013","12.2452","0.0014","90","","108.818","0.012","90","","2263.6","0.4","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br2 Cu N2 O P -","- C24 H17 Br2 Cu N2 O P -","- C96 H68 Br8 Cu4 N8 O4 P4 -","4","1","","Savinykh, P. E.; Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Sadykov, E. H.; Artem’ev, A. V.; Lider, E. V.","Copper(ii) complexes with a hybrid phosphinyl-phenanthroline ligand: synthesis, crystal structures and effect of phosphinyl functionalization on the cytotoxicity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03235K","","x-ray","0.71073","MoKα","","0.0684","0.0384","","","0.064","0.0774","","","","","","0.978","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064185","26.2356","0.0016","14.0647","0.0009","17.007","0.0011","90","","127.544","0.003","90","","4975.8","0.6","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H47 Cl4 Cu2 N4 O5 P2 -","- C52 H47 Cl4 Cu2 N4 O5 P2 -","- C208 H188 Cl16 Cu8 N16 O20 P8 -","4","0.5","","Savinykh, P. E.; Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Sadykov, E. H.; Artem’ev, A. V.; Lider, E. V.","Copper(ii) complexes with a hybrid phosphinyl-phenanthroline ligand: synthesis, crystal structures and effect of phosphinyl functionalization on the cytotoxicity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03235K","","","1.54178","CuKα","","0.0607","0.0489","","","0.1297","0.138","","","","","","1.032","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064186","10.4842","0.0007","29.141","0.002","11.2189","0.0009","90","","108.009","0.005","90","","3259.7","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 Cu N6 O8 P -","- C34 H27 Cu N6 O8 P -","- C136 H108 Cu4 N24 O32 P4 -","4","1","","Savinykh, P. E.; Golubeva, Yu. A.; Smirnova, K. S.; Klyushova, L. S.; Sadykov, E. H.; Artem’ev, A. V.; Lider, E. V.","Copper(ii) complexes with a hybrid phosphinyl-phenanthroline ligand: synthesis, crystal structures and effect of phosphinyl functionalization on the cytotoxicity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03235K","","","1.54178","CuKα","","0.0736","0.0531","","","0.1312","0.1432","","","","","","1.028","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064187","16.7337","0.0006","14.1267","0.0004","13.8407","0.0005","90","","112.985","0.001","90","","3012.07","0.18","298","2","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl2 N7 Ni O8 -","- C26 H33 Cl2 N7 Ni O8 -","- C104 H132 Cl8 N28 Ni4 O32 -","4","1","","Hu, Jinlin; Qi, Zhichao; Zhang, Lianghui; Liang, Xiangming; Lin, Junqi; Ruan, Zhijun; Liu, Shanshan","Electrocatalytic water oxidation by nickel complexes: The effect of coordination number and ligand backbone structure on catalytic properties","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03749B","","","0.71073","MoKα","","0.0751","0.0522","","","0.1323","0.1519","","","","","","1.0206","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064188","17.933","0.003","8.9773","0.0017","17.496","0.004","90","","112.996","0.006","90","","2592.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Cl2 N5 Ni O10 -","- C19 H31 Cl2 N5 Ni O10 -","- C76 H124 Cl8 N20 Ni4 O40 -","4","1","","Hu, Jinlin; Qi, Zhichao; Zhang, Lianghui; Liang, Xiangming; Lin, Junqi; Ruan, Zhijun; Liu, Shanshan","Electrocatalytic water oxidation by nickel complexes: The effect of coordination number and ligand backbone structure on catalytic properties","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03749B","","","0.71073","MoKα","","0.0657","0.049","","","0.1272","0.1407","","","","","","1.039","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064189","12.7277","0.0003","13.6449","0.0004","21.3554","0.0007","90","","101.521","0.001","90","","3634.03","0.18","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H92 B42 P2 -","- C55 H92 B42 P2 -","- C110 H184 B84 P4 -","2","0.5","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","","0.71073","MoKα","","0.1125","0.0688","","","0.1687","0.221","","","","","","1.133","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064190","5.7645","0.0001","12.1514","0.0002","18.0507","0.0002","90","","90","","90","","1264.39","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl3 F3 O -","- C11 H8 Cl3 F3 O -","- C44 H32 Cl12 F12 O4 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0296","0.0292","","","0.0733","0.0737","","","","","","1.042","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064191","11.4018","0.0003","19.0846","0.0006","17.3716","0.0006","90","","102.358","0.001","90","","3692.5","0.2","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H51 B21 N2 -","- C27 H51 B21 N2 -","- C108 H204 B84 N8 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","","0.71073","MoKα","","0.0663","0.0492","","","0.1233","0.1353","","","","","","1.061","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064192","11.9375","0.0004","13.5556","0.0003","9.6733","0.0003","90","","112.902","0.004","90","","1441.94","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl4 N O2 -","- C12 H11 Cl4 N O2 -","- C48 H44 Cl16 N4 O8 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0421","0.0411","","","0.1199","0.1209","","","","","","1.107","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064193","10.7611","0.0004","14.019","0.0004","9.5719","0.0003","90","","109.786","0.004","90","","1358.77","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl3 N O2 -","- C12 H11 Cl3 N O2 -","- C48 H44 Cl12 N4 O8 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0491","0.043","","","0.1183","0.1222","","","","","","1.155","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064194","11.2258","0.0002","13.766","0.0003","15.1288","0.0003","90","","93.525","0.002","90","","2333.5","0.08","99.99","0.11","99.99","0.11","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C20 H16 Cl8 O2 -","- C20 H16 Cl8 O2 -","- C80 H64 Cl32 O8 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0317","0.0312","","","0.0884","0.0896","","","","","","0.801","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064195","9.2834","0.0002","11.5385","0.0004","16.7356","0.0002","76.702","0.002","83.835","0.002","75.793","0.002","1688.77","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Cl3 N O2 -","- C15 H18 Cl3 N O2 -","- C60 H72 Cl12 N4 O8 -","4","2","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0386","0.0351","","","0.0962","0.0988","","","","","","1.063","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064196","39.1114","0.0007","39.1114","0.0007","5.8755","0.0001","90","","90","","120","","7783.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H36 Br3 Cl9 O6 -","- C48 H36 Br3 Cl9 O6 -","- C288 H216 Br18 Cl54 O36 -","6","0.333333","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","x-ray","1.54184","CuKα","","0.0453","0.0431","","","0.1424","0.1442","","","","","","1.124","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064197","10.6621","0.0005","11.0433","0.0005","16.7913","0.0008","94.433","0.002","106.841","0.003","97.095","0.002","1864.45","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H41 B21 Cl2 F3 P -","- C25 H41 B21 Cl2 F3 P -","- C50 H82 B42 Cl4 F6 P2 -","2","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","","0.71073","MoKα","","0.0754","0.0521","","","0.121","0.1448","","","","","","1.088","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064198","15.269","0.003","16.88","0.003","10.1723","0.0014","90","","90","","90","","2621.8","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H36 B21 N -","- C13 H36 B21 N -","- C52 H144 B84 N4 -","4","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","","0.71073","MoKα","","0.0846","0.0585","","","0.1439","0.1666","","","","","","1.077","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064199","10.3795","0.0008","11.6288","0.0009","18.0566","0.0012","76.631","0.002","82.103","0.002","88.428","0.002","2100.3","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H60 B21 F5 N P -","- C29 H60 B21 F5 N P -","- C58 H120 B42 F10 N2 P2 -","2","1","","Sokolov, Vladislav A.; Bakulina, Olga; Boyarskaya, Irina A.; Spiridonova, Dar'ya V.; Kryukova, Mariya A.; Vasilyev, Aleksander","Synthesis of CCl3-substituted amides, ketones, indenes by intermolecular reactions of β-CCl3-enones or β-CCl3-β-hydroxy ketones with various nucleophiles in CF3SO3H","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03928B","","","0.71073","MoKα","","0.0962","0.0645","","","0.1718","0.2094","","","","","","1.128","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064200","10.6905","0.0007","17.266","0.001","24.5759","0.0013","90","","90","","90","","4536.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31 Br2 Co N3 -","- C21 H31 Br2 Co N3 -","- C168 H248 Br16 Co8 N24 -","8","1","","Das, Anjan; Mukhopadhyay, Titas Kumar; Maitra, Biswajit; Pal, Dibyendu; Mondal, Moumita","A Comparison of Structure-Activity Relationships between Bis(imino)Pyridine Pincers of Nickel and Cobalt for Electrochemical Reduction of CO2","New Journal of Chemistry","2026","","","","","10.1039/D5NJ02563J","","x-ray","0.71073","MoKα","","0.0763","0.0416","","","0.081","0.0953","","","","","","1.035","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064201","10.7374","0.0006","17.0804","0.0009","24.3869","0.0013","90","","90","","90","","4472.5","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H31 Br2 N3 Ni -","- C21 H31 Br2 N3 Ni -","- C168 H248 Br16 N24 Ni8 -","8","1","","Das, Anjan; Mukhopadhyay, Titas Kumar; Maitra, Biswajit; Pal, Dibyendu; Mondal, Moumita","A Comparison of Structure-Activity Relationships between Bis(imino)Pyridine Pincers of Nickel and Cobalt for Electrochemical Reduction of CO2","New Journal of Chemistry","2026","","","","","10.1039/D5NJ02563J","","x-ray","0.71073","MoKα","","0.0757","0.0473","","","0.1035","0.1166","","","","","","1.081","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064202","27.395","0.002","6.8515","0.0006","13.3173","0.0012","90","","91.411","0.009","90","","2498.9","0.4","291","3","291","3","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H26 Cu N4 O12 S2 -","- C18 H26 Cu N4 O12 S2 -","- C72 H104 Cu4 N16 O48 S8 -","4","1","","He, Jiechen; Chen, Feirong; Lin, Chenxin; Chen, Yaozong; Liu, Lizhen; Yao, Zizhu","Proton conductivity and dielectric anomalies in a chain-based metal-organic framework with a hydrogen-bonded network of [SO3] groups, pyrazine and water molecules","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04186D","","x-ray","1.54184","CuKα","","0.1357","0.0915","","","0.2747","0.3257","","","","","","1.115","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064203","11.1502","0.0011","13.1951","0.0012","21.366","0.002","90.63","0.003","102.445","0.003","105.565","0.003","2949.2","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cu Mo8 N12 O27 -","- C42 H44 Cu Mo8 N12 O27 -","- C84 H88 Cu2 Mo16 N24 O54 -","2","1","","Ge, Meng; Yu, Shuang; Yuan, Linyue; Zang, Hong-Ying","Construction and proton conductivity of a POMs-based compound based on different isomers of [Mo8O26]4- ions","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04210K","","x-ray","0.71073","MoKα","K-L~3~","0.0498","0.0353","","","0.0754","0.0853","","","","","","1.054","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064204","17.9807","0.0002","17.9807","0.0002","16.7565","0.0003","90","","90","","90","","5417.47","0.13","293","","293","","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C84 H114 Cu4 N16 Ni2 O13 P4 S12 -","- C84 H108 Cu4 N16 Ni2 O10 P4 S12 -","- C168 H216 Cu8 N32 Ni4 O20 P8 S24 -","2","0.25","","Chaturvedi, Nishtha; Pandey, Vinay Kumar; Tiwari, Vinod K.; Bhattacharya, Subrato","Tunable Cu-Ni phosphine-thiolate complexes as water-compatible catalyst for base-free click chemistry","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03825A","","x-ray","1.54184","CuKα","","0.0985","0.0871","","","0.2576","0.2692","","","","","","1.118","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064205","8.3069","0.0002","14.2107","0.0003","20.9064","0.0003","96.525","0.001","98.97","0.001","100.841","0.002","2368.11","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H38 N4 Ni O P3 S6 -","- C43 H38 N4 Ni O P3 S6 -","- C86 H76 N8 Ni2 O2 P6 S12 -","2","1","","Chaturvedi, Nishtha; Pandey, Vinay Kumar; Tiwari, Vinod K.; Bhattacharya, Subrato","Tunable Cu-Ni phosphine-thiolate complexes as water-compatible catalyst for base-free click chemistry","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03825A","","x-ray","1.54184","CuKα","","0.0558","0.0428","","","0.104","0.11","","","","","","1.051","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064206","13.0359","0.0003","13.8734","0.0004","14.836","0.0004","117.864","0.003","91.092","0.002","113.985","0.002","2093.38","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H78.5 Cu2 N5.5 P6 S6 -","- C85 H78.5 Cu2 N5.5 P6 S6 -","- C85 H78.5 Cu2 N5.5 P6 S6 -","1","0.5","","Chaturvedi, Nishtha; Pandey, Vinay Kumar; Tiwari, Vinod K.; Bhattacharya, Subrato","Tunable Cu-Ni phosphine-thiolate complexes as water-compatible catalyst for base-free click chemistry","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03825A","","x-ray","1.54184","CuKα","","0.0809","0.0672","","","0.1777","0.1859","","","","","","1.065","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064207","8.6151","0.0002","13.345","0.0002","14.503","0.0003","97.283","0.002","102.476","0.002","90.793","0.002","1613.42","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cl2 Cu N3 O0.5 -","- C15 H18 Cl2 Cu N3 O0.5 -","- C60 H72 Cl8 Cu4 N12 O2 -","4","2","","Ganesh, Yamuna; Devaraj , Karthickram; Palani, Narasimman; Bhuvanesh, Nattamai S. P.; Karuppasamy, Sundaravel","Copper(II) Complexes of Dipica and Its Derivatives as Biomimetic Models for Phenoxazinone Synthase: Probing the Effect of Central N-cycloalkyl Rings on Reactivity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04085J","","x-ray","1.54184","CuKα","","0.0384","0.0372","","","0.1102","0.1118","","","","","","1.062","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064208","11.8525","0.0008","13.3585","0.0009","13.5704","0.0009","90","","114.875","0.002","90","","1949.3","0.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 Cl2 Cu N3 -","- C19 H25 Cl2 Cu N3 -","- C76 H100 Cl8 Cu4 N12 -","4","1","","Ganesh, Yamuna; Devaraj , Karthickram; Palani, Narasimman; Bhuvanesh, Nattamai S. P.; Karuppasamy, Sundaravel","Copper(II) Complexes of Dipica and Its Derivatives as Biomimetic Models for Phenoxazinone Synthase: Probing the Effect of Central N-cycloalkyl Rings on Reactivity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04085J","","","0.71073","MoKα","","0.046","0.0331","","","0.0672","0.0711","","","","","","1.05","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064209","8.016","0.0001","13.916","0.0002","15.2343","0.0002","90","","92.44","0.001","90","","1697.86","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl2 Cu N3 -","- C17 H21 Cl2 Cu N3 -","- C68 H84 Cl8 Cu4 N12 -","4","1","","Ganesh, Yamuna; Devaraj , Karthickram; Palani, Narasimman; Bhuvanesh, Nattamai S. P.; Karuppasamy, Sundaravel","Copper(II) Complexes of Dipica and Its Derivatives as Biomimetic Models for Phenoxazinone Synthase: Probing the Effect of Central N-cycloalkyl Rings on Reactivity","New Journal of Chemistry","2026","","","","","10.1039/D5NJ04085J","","x-ray","1.54184","CuKα","","0.0273","0.0258","","","0.0676","0.0686","","","","","","1.063","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064210","3.9116","0.0002","15.1339","0.0008","14.4893","0.0008","90","","94.788","0.003","90","","854.74","0.08","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Cl2 N O Se -","- C7 H5 Cl2 N O Se -","- C28 H20 Cl8 N4 O4 Se4 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0409","0.03","","","0.068","0.0722","","","","","","1.056","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064211","13.734","0.006","9.677","0.004","19.852","0.008","90","","107.56","0.012","90","","2515.5","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-bromo-3-methyl-5-phenyl-1-2-tellurazole-2-anol","","- C24 H29 Br2 N3 O Te -","- C24 H28 Br2 N3 O Te -","- C96 H112 Br8 N12 O4 Te4 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.1469","0.0911","","","0.2357","0.2784","","","","","","1.129","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064212","14.9143","0.0006","26.7884","0.001","16.15","0.0005","90","","90","","90","","6452.4","0.4","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","1,1,1-tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol","","- C14 H22 Br4 N2 O Te -","- C14 H22 Br4 N2 O Te -","- C168 H264 Br48 N24 O12 Te12 -","12","1.5","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0846","0.048","","","0.0732","0.0801","","","","","","1.064","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7064213","7.9518","0.0005","16.465","0.0009","8.8983","0.0005","90","","96.536","0.001","90","","1157.45","0.12","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl4 N O Se -","- C7 H5 Cl4 N O Se -","- C28 H20 Cl16 N4 O4 Se4 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.029","0.0229","","","0.0525","0.055","","","","","","1.036","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064214","9.158","0.0008","11.0228","0.0009","14.2654","0.0012","90","","98.511","0.003","90","","1424.2","0.2","102","","102","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1,1 tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol","","- C10 H10 Br3 N O Te -","- C10 H10 Br3 N O Te -","- C40 H40 Br12 N4 O4 Te4 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0373","0.0312","","","0.0765","0.0786","","","","","","1.107","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064215","7.383","0.002","8.447","0.003","12.114","0.004","107.25","0.02","91.93","0.02","108.787","0.01","676.1","0.4","100","0.1","100","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H9 Cl3 N2 O Te -","- C9 H9 Cl3 N2 O Te -","- C18 H18 Cl6 N4 O2 Te2 -","2","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0448","0.0392","","","0.1","0.1037","","","","","","1.085","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064216","14.1714","0.001","9.0498","0.0006","19.5492","0.0014","90","","91.967","0.003","90","","2505.7","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,1,1-tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol","","- C15 H23 Br4 Cl3 N2 O Te -","- C15 H23 Br4 Cl3 N2 O Te -","- C60 H92 Br16 Cl12 N8 O4 Te4 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0939","0.0515","","","0.1254","0.1554","","","","","","1.018","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064217","9.062","0.003","12.768","0.007","15.657","0.01","90","","98.57","0.03","90","","1791.3","1.6","119","","119","","","","","","","","","6","P 1 21 1","P 2yb","4","","1,1,1 tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol","","- C12 H16 Br3.5 N1.5 O Te -","- C12 H16 Br3.5 N1.5 O Te -","- C48 H64 Br14 N6 O4 Te4 -","4","2","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0938","0.0569","","","0.1056","0.123","","","","","","0.855","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064218","24.6425","0.0016","13.1419","0.0009","13.636","0.0008","90","","104.617","0.002","90","","4273.1","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,1,1-tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol + proton sponge","","- C34 H39 Br7 N4 O2 Te2 -","- C34 H39 Br7 N4 O2 Te2 -","- C136 H156 Br28 N16 O8 Te8 -","4","0.5","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0349","0.0247","","","0.0573","0.0613","","","","","","1.016","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7064219","14.2144","0.0009","22.4896","0.0013","16.3097","0.0008","90","","114.888","0.002","90","","4729.6","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-di-iodo-3-methyl-5-phenyl-1,2-tellurazole-2-oxide","","- C40 H36 I4 N4 O4 Te4 -","- C40 H36 I4 N4 O4 Te4 -","- C160 H144 I16 N16 O16 Te16 -","4","1","","MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio","From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati","New Journal of Chemistry","2026","","","","","10.1039/D5NJ03688G","","","0.71073","MoKα","","0.0476","0.0397","","","0.0899","0.0956","","","","","","1.179","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135279","21.4284","0.0015","10.2324","0.0007","11.5649","0.0008","90","","105.207","0.002","90","","2447","0.3","295","2","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O4 S -","- C26 H32 O4 S -","- C104 H128 O16 S4 -","4","1","","Samantaray, Swati; Saha, Sharajit; Punniyamurthy, Tharmalingam","Rh-catalyzed chemodivergent [4+1]-annulation/allylation of sulfoxonium ylides with α-methylene-β-lactones: access to α-indanonyl/α-benzyl acrylates","Chemical Communications","2026","","","","","10.1039/D5CC05716G","","","0.71073","MoKα","","0.138","0.0774","","","0.1257","0.1575","","","","","","1.174","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135280","8.4589","0.0006","9.2758","0.0006","9.7016","0.0006","93.006","0.002","108.39","0.001","93.186","0.002","719.26","0.08","295","2","295","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Samantaray, Swati; Saha, Sharajit; Punniyamurthy, Tharmalingam","Rh-catalyzed chemodivergent [4+1]-annulation/allylation of sulfoxonium ylides with α-methylene-β-lactones: access to α-indanonyl/α-benzyl acrylates","Chemical Communications","2026","","","","","10.1039/D5CC05716G","","","0.71073","MoKα","","0.0754","0.0612","","","0.1479","0.1587","","","","","","1.059","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135284","22.6915","0.0001","22.6915","0.0001","39.2399","0.0002","90","","90","","120","","17497.9","0.14","100","0.1","100","0.1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C6 N1.5 O11.917 P0.333 W3 Zr0.5 -","- C6 N1.5 O11.9167 P0.333333 W3 Zr0.5 -","- C216 N54 O429 P12 W108 Zr18 -","36","1","","Liang, Zhijie; Yao, Yiqing; Ding, Yuyang; Wang, Haifeng; Li, Huafeng; Feng, Gang","Stable Zr-based polyoxometalate as a green catalyst for selective oxidation of aniline","Chemical Communications","2026","","","","","10.1039/D5CC06298E","","x-ray","1.3405","GaKα","","0.0355","0.0347","","","0.086","0.0866","","","","","","1.032","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135285","9.0582","0.0001","11.4917","0.0002","16.1874","0.0002","102.344","0.001","104.774","0.001","102.029","0.001","1528.74","0.04","295.52","0.1","295.52","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 N4 O6 -","- C34 H36 N4 O6 -","- C68 H72 N8 O12 -","2","1","","Luan, Yu-Yong; Li, Jin-Ye; Liu, Xue-Yuan; Liang, Yong-Min","Ru-Catalyzed C-H Annulation: Accessing Quinazolinone-BCP Hybrids from Stable Precursors","Chemical Communications","2026","","","","","10.1039/D5CC05977A","","x-ray","1.54184","CuKα","","0.0512","0.0469","","","0.1376","0.1414","","","","","","1.072","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135286","12.2189","0.0001","18.2929","0.0001","17.8873","0.0001","90","","103.89","0.001","90","","3881.24","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H59 Cl2 N2 P Ru -","- C40 H59 Cl2 N2 P Ru -","- C160 H236 Cl8 N8 P4 Ru4 -","4","1","","Pontavatchai, Apicha; Schwedtmann, Kevin; Royla, Philipp; Schwedtmann, Kai; Khamnaen, Tossapol; Schwarzenbolz, Uwe; Henle, Thomas; Somsook, Ekasith; Weigand, Jan J.","Chain-length-dependent reactivity of alkenyl phosphates in ruthenium-catalyzed cross-metathesis","Chemical Communications","2026","","","","","10.1039/D5CC05790F","","x-ray","1.54184","CuKα","","0.0267","0.0255","","","0.0663","0.0675","","","","","","1.021","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135289","7.035","0.003","9.707","0.004","11.99","0.005","97.167","0.014","102.787","0.013","102.826","0.014","765.4","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 B9 N O2 -","- C9 H18 B9 N O2 -","- C18 H36 B18 N2 O4 -","2","1","","Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong","Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens","Chemical Communications","2026","","","","","10.1039/D5CC03944D","","","0.71073","MoKα","","0.0993","0.0687","","","0.1898","0.2126","","","","","","1.075","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135290","9.3624","0.0008","15.562","0.0014","12.4785","0.0012","90","","106.649","0.003","90","","1741.9","0.3","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 B9 N2 O2 -","- C13 H19 B9 N2 O2 -","- C52 H76 B36 N8 O8 -","4","1","","Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong","Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens","Chemical Communications","2026","","","","","10.1039/D5CC03944D","","","0.71073","MoKα","","0.105","0.056","","","0.1223","0.1421","","","","","","1.017","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135291","6.5542","0.001","10.0432","0.0013","14.4842","0.0019","79.901","0.004","79.8","0.005","74.684","0.005","896.7","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 B9 N O2 -","- C14 H20 B9 N O2 -","- C28 H40 B18 N2 O4 -","2","1","","Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong","Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens","Chemical Communications","2026","","","","","10.1039/D5CC03944D","","","0.71073","MoKα","","0.1189","0.0632","","","0.1513","0.1782","","","","","","1.066","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135292","20.3463","0.001","6.4323","0.0004","20.4209","0.0009","90","","103.65","0.002","90","","2597.1","0.2","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H15 B9 Cl N -","- C7 H15 B9 Cl N -","- C56 H120 B72 Cl8 N8 -","8","1","","Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong","Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens","Chemical Communications","2026","","","","","10.1039/D5CC03944D","","","0.71073","MoKα","","0.0549","0.0416","","","0.1087","0.12","","","","","","1.0385","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135293","20.226","0.005","7.0287","0.0016","19.947","0.005","90","","96.446","0.006","90","","2817.8","1.2","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H14 B9 Cl2 N -","- C7 H14 B9 Cl2 N -","- C56 H112 B72 Cl16 N8 -","8","1","","Li, Xinrui; Zhou, Ningning; Tu, Deshuang; Lu, Chang-sheng; Yan, Hong","Metal-free regioselective B–O coupling in carboranes for constructing aggregation-induced emission luminogens","Chemical Communications","2026","","","","","10.1039/D5CC03944D","","","0.71073","MoKα","","0.1166","0.0851","","","0.2367","0.266","","","","","","0.995","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135300","14.2771","0.0004","37.754","0.001","17.4551","0.0005","90","","107.017","0.003","90","","8996.7","0.5","303.09","0.13","303.09","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O5 S -","- C27 H20 O5 S -","- C432 H320 O80 S16 -","16","4","","Yang, Zhi-Yuan; Li, Xue-Song; Zhang, Ming-Li; You, Zi-Xin; Liang, Yong-Min; Zhou, Ming-Dong","Lewis Acid Catalysed Cyclization of Pyridinium 1,4-Zwitterionic Thiolates with Propargyl Alcohols and Fluorescence Applications","Chemical Communications","2026","","","","","10.1039/D5CC06010A","","x-ray","0.71073","MoKα","","0.151","0.1055","","","0.2812","0.3114","","","","","","1.039","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7135301","6.9559","0.0009","28.73","0.004","14.9096","0.0019","90","","96.72","0.002","90","","2959.1","0.7","140","","140","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H23 F3 I N O -","- C36 H23 F3 I N O -","- C144 H92 F12 I4 N4 O4 -","4","1","","Jagota, Shivankar; Rana, Samim Sohel; Barman, Chhotan; Choudhury, Joyanta","Annulated oxazolium salts as anion-π + interaction-enabled solid-state room-temperature phosphorescent materials","Chemical Communications","2026","","","","","10.1039/D5CC05870H","","x-ray","0.71073","MoKα","","0.0549","0.0395","","","0.0775","0.0828","","","","","","1.043","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135302","14.085","0.003","7.2681","0.0008","15.308","0.003","90","","97.143","0.005","90","","1554.9","0.5","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","JC_SJ_HI","","- C38 H29 I N2 O2 -","- C38 H29 I N2 O2 -","- C76 H58 I2 N4 O4 -","2","1","","Jagota, Shivankar; Rana, Samim Sohel; Barman, Chhotan; Choudhury, Joyanta","Annulated oxazolium salts as anion-π + interaction-enabled solid-state room-temperature phosphorescent materials","Chemical Communications","2026","","","","","10.1039/D5CC05870H","","","0.71073","MoKα","","0.0531","0.0372","","","0.0699","0.077","","","","","","1.023","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135303","25.9967","0.0013","13.28","0.0005","17.7015","0.0008","90","","93.282","0.002","90","","6101.2","0.5","140","","140","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H24 I N O -","- C35 H24 I N O -","- C280 H192 I8 N8 O8 -","8","1","","Jagota, Shivankar; Rana, Samim Sohel; Barman, Chhotan; Choudhury, Joyanta","Annulated oxazolium salts as anion-π + interaction-enabled solid-state room-temperature phosphorescent materials","Chemical Communications","2026","","","","","10.1039/D5CC05870H","","x-ray","0.71073","MoKα","","0.0786","0.0476","","","0.1209","0.1377","","","","","","1.051","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7135308","14.3566","0.0001","11.8396","0.0001","26.4983","0.0003","90","","101.79","0.001","90","","4409.06","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N2 Rb -","- C27 H25 N2 Rb -","- C216 H200 N16 Rb8 -","8","2","","Burnett, Stuart; Kennedy, Alan; Mansell, Stephen M.; Weetman, Catherine Ellen","Fluorenyl-Tethered N-Heterocyclic Carbene Complexes of the Heavy Alkali Metals","Chemical Communications","2026","","","","","10.1039/D5CC06477E","","x-ray","1.54184","CuKα","","0.0638","0.0561","","","0.1452","0.1512","","","","","","1.027","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135309","25.3737","0.0003","12.0154","0.0001","17.5574","0.0002","90","","90","","90","","5352.82","0.1","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H69 Cs2 Li N4 Si4 -","- C46 H69 Cs2 Li N4 Si4 -","- C184 H276 Cs8 Li4 N16 Si16 -","4","1","","Burnett, Stuart; Kennedy, Alan; Mansell, Stephen M.; Weetman, Catherine Ellen","Fluorenyl-Tethered N-Heterocyclic Carbene Complexes of the Heavy Alkali Metals","Chemical Communications","2026","","","","","10.1039/D5CC06477E","","","1.54184","CuKα","","0.0912","0.0789","","","0.1982","0.2063","","","","","","1.027","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7135310","14.4348","0.0001","12.0323","0.0001","26.6844","0.0001","90","","100.598","0.001","90","","4555.59","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cs N2 -","- C27 H25 Cs N2 -","- C216 H200 Cs8 N16 -","8","2","","Burnett, Stuart; Kennedy, Alan; Mansell, Stephen M.; Weetman, Catherine Ellen","Fluorenyl-Tethered N-Heterocyclic Carbene Complexes of the Heavy Alkali Metals","Chemical Communications","2026","","","","","10.1039/D5CC06477E","","x-ray","1.54184","CuKα","","0.0308","0.0299","","","0.0829","0.0835","","","","","","1.042","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135311","9.0051","0.0001","11.4959","0.0002","22.2845","0.0003","86.46","0.001","80.555","0.001","74.909","0.001","2196.74","0.06","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H28 F18 N6 P2 Ru -","- C44 H28 F18 N6 P2 Ru -","- C88 H56 F36 N12 P4 Ru2 -","2","1","","Mandal, Arif Ali; Kumar, Saurav; Singh, Srijan; Mandal, Apurba; Banerjee, Samya; Dhar, Prodyut","Novel Ru(II)-Photo-antibiotics for Development of Infection-Resistant Mask Coatings","Chemical Communications","2026","","","","","10.1039/D5CC06235G","","x-ray","1.54184","CuKα","","0.0625","0.0567","","","0.1495","0.1536","","","","","","1.078","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135312","9.214","0.003","14.22","0.005","11.153","0.004","90","","111.181","0.011","90","","1362.6","0.8","304","2","304","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H24 Br N2 O4 -","- C31 H24 Br N2 O4 -","- C62 H48 Br2 N4 O8 -","2","1","","Devi, Manju; Jain, Gyanshree; Gupta, Navya; Ansari, Najmuddin; Singh, Ravi Prakash","Atroposelective Synthesis of Barbiturate Substituted Chiral Styrenes","Chemical Communications","2026","","","","","10.1039/D5CC06302G","","","0.71073","MoKα","","0.0779","0.0321","","","0.0573","0.0633","","","","","","0.795","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135313","19.0074","0.0006","11.0694","0.0006","18.0225","0.0008","90","","110.883","0.002","90","","3542.9","0.3","305","2","305","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C4.09 H3.74 N0.17 O0.61 P0.09 -","- C3.73913 H3.04348 N0.173913 O0.434783 P0.0869565 -","- C172 H140 N8 O20 P4 -","46","11.5","","Devi, Manju; Jain, Gyanshree; Gupta, Navya; Ansari, Najmuddin; Singh, Ravi Prakash","Atroposelective Synthesis of Barbiturate Substituted Chiral Styrenes","Chemical Communications","2026","","","","","10.1039/D5CC06302G","","","0.71073","MoKα","","0.0484","0.0378","","","0.0969","0.1043","","","","","","1.026","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135314","25.189","0.003","22.7748","0.0017","24.3234","0.0013","90","","96.945","0.007","90","","13851","2","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C108 H35 Co N5 -","- C108 H35 Co N5 -","- C864 H280 Co8 N40 -","8","1","","Wang, Tao; Song, Yupeng; Wang, Chong; Wang, Hongyi; Zhang, Youpeng; Jiang, Ying; Dong, Tianyang; Wu, Bo; Wang, Chun-Ru","Fullerene–Porphyrin Nanosheet as an Efficient Catalyst Enables Solar-Light-Driven Ammonia Synthesis","Chemical Communications","2026","","","","","10.1039/D5CC06441D","","x-ray","1.54184","CuKα","","0.287","0.1414","","","0.3194","0.4255","","","","","","1.043","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135315","11.947","0.009","17.077","0.013","7.029","0.005","90","","111.18","0.02","90","","1337.2","1.7","160","","160","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H10 N4 S -","- C16 H10 N4 S -","- C64 H40 N16 S4 -","4","1","","Nakamura, Ryo; Sawamura, Yuta; Nakada, Kazushi; Mizoguchi, Ryusuke; Ishii, Ayumi; Yamashita, Tomohiro; Yokota, Hiroko; Richards, Gary James; Hori, Akiko","Red-fluorescence under UV and green-SHG under NIR dual-mode emission in yellow crystal of 1,2,5-thiadiazole derivative","Chemical Communications","2026","","","","","10.1039/D5CC05735C","","","0.71073","MoKα","","0.0629","0.0482","","","0.1223","0.1358","","","","","","1.139","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135316","25.61","0.012","7.253","0.004","17.715","0.009","90","","106.797","0.017","90","","3150","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N6 S -","- C40 H28 N6 S -","- C160 H112 N24 S4 -","4","1","","Nakamura, Ryo; Sawamura, Yuta; Nakada, Kazushi; Mizoguchi, Ryusuke; Ishii, Ayumi; Yamashita, Tomohiro; Yokota, Hiroko; Richards, Gary James; Hori, Akiko","Red-fluorescence under UV and green-SHG under NIR dual-mode emission in yellow crystal of 1,2,5-thiadiazole derivative","Chemical Communications","2026","","","","","10.1039/D5CC05735C","","","0.71073","MoKα","","0.1038","0.0672","","","0.1623","0.1929","","","","","","1.046","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135317","10.1599","0.001","15.9561","0.0015","19.0317","0.0018","90","","99.943","0.002","90","","3038.9","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H15 B F15 O Sb -","- C33.5 H15 B F15 O Sb -","- C134 H60 B4 F60 O4 Sb4 -","4","1","","NGUYEN, THIEN; González-Ortiz, Francisca; Camaret, Ethan; PARK, GYEONGJIN","From Oxygen Atom Transfer by Stibine Oxide to Hydroxoantimony Formation via Lewis Acid Capture","Chemical Communications","2026","","","","","10.1039/D5CC06702B","","","0.71073","MoKα","","0.0249","0.0219","","","0.0513","0.0538","","","","","","1.112","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7135318","13.4947","0.0007","15.3391","0.0008","19.1866","0.0009","76.297","0.001","81.376","0.001","68.207","0.001","3574.3","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H20 B F15 O Sb -","- C39 H20 B F15 O Sb -","- C156 H80 B4 F60 O4 Sb4 -","4","2","","NGUYEN, THIEN; González-Ortiz, Francisca; Camaret, Ethan; PARK, GYEONGJIN","From Oxygen Atom Transfer by Stibine Oxide to Hydroxoantimony Formation via Lewis Acid Capture","Chemical Communications","2026","","","","","10.1039/D5CC06702B","","x-ray","0.71073","MoKα","K-L~3~","0.0773","0.0618","","","0.1426","0.1534","","","","","","1.109","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135319","17.232","0.003","17.232","0.003","9.882","0.003","90","","90","","120","","2541.2","1","100","","100","","","","","","","","","6","R 3 :H","R 3","146","","","","- C36 H33 B F15 O P -","- C36 H33 B F15 O P -","- C108 H99 B3 F45 O3 P3 -","3","0.333333","","NGUYEN, THIEN; González-Ortiz, Francisca; Camaret, Ethan; PARK, GYEONGJIN","From Oxygen Atom Transfer by Stibine Oxide to Hydroxoantimony Formation via Lewis Acid Capture","Chemical Communications","2026","","","","","10.1039/D5CC06702B","","x-ray","0.71073","MoKα","K-L~3~","0.0534","0.0415","","","0.095","0.1011","","","","","","1.084","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135320","12.015","0.003","7.2065","0.0014","3.5729","0.0008","90","","90","","90","","309.36","0.12","303","","303.15","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C4 H4 Cl2 Fe N2 -","- C4 H4 Cl2 Fe N2 -","- C8 H8 Cl4 Fe2 N4 -","2","0.125","","Lassoued, Mohamed Saber; Huang, Xue-Qi; Hussain, Abid; Zheng, Yan-Zhen","A Stable Narrow-Bandgap 2D Iron–Pyrazine Framework Exhibiting High Photoconductivity and Spin–Charge Coupling","Chemical Communications","2026","","","","","10.1039/D5CC06087G","","","0.71073","MoKα","","0.0623","0.0598","","","0.1583","0.1594","","","","","","1.415","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135321","9.0318","0.0002","13.1643","0.0004","17.9475","0.0003","88.547","0.002","81.094","0.002","88.722","0.002","2107.14","0.09","100.15","","100.15","","","","","","","","","6","P 1","P 1","1","","","","- C43 H63 Cl Fe N7 O4 -","- C43 H63 Cl Fe N7 O4 -","- C86 H126 Cl2 Fe2 N14 O8 -","2","2","","Dey Biswas, Doyel; Das, Soumadip; Pal, Debraj; Sen Gupta, Sayam","Enantioselective C-H Bond Oxidation using Bio-Inspired Chiral Fe-TAML Catalyst","Chemical Communications","2026","","","","","10.1039/D5CC06607G","","","1.54184","CuKα","","0.0619","0.0589","","","0.1865","0.1883","","","","","","1.054","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135322","9.0356","0.0002","13.1688","0.0002","17.9549","0.0003","88.5","0.002","81.057","0.002","88.78","0.001","2109.4","0.07","99.98","0.18","99.98","0.18","","","","","","","","6","P 1","P 1","1","(R,R)-1","(R,R)-[(Ph,Me)-FebTAML][Cl]","","- C43 H63 Cl Fe N7 O4 -","- C43 H63 Cl Fe N7 O4 -","- C86 H126 Cl2 Fe2 N14 O8 -","2","2","","Dey Biswas, Doyel; Das, Soumadip; Pal, Debraj; Sen Gupta, Sayam","Enantioselective C-H Bond Oxidation using Bio-Inspired Chiral Fe-TAML Catalyst","Chemical Communications","2026","","","","","10.1039/D5CC06607G","","x-ray","1.54184","CuKα","","0.0641","0.0622","","","0.2051","0.2064","","","","","","1.058","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135323","11.1316","0.0004","18.2559","0.0006","8.0791","0.0003","90","","99.445","0.004","90","","1619.56","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6,6-difluoro-4-(2-methoxyphenyl)-6H-6λ4,7λ4-dipyrido[1,2-c:2',1'-f][1,3,2]diazaborinine-12-carbonitrile","","","- C19 H14 B F2 N3 O -","- C19 H14 B F2 N3 O -","- C76 H56 B4 F8 N12 O4 -","4","1","","Figliola, Carlotta; Chériaux, Camille; Oppé, Nicolas; Estaque, Lilian; Retailleau, Pascal; Vanthuyne, Nicolas; Pieters, Gregory; Jacquemin, Denis; Ulrich, Gilles","Design of Heavy-Atom Free Dipyridomethene Boron Complexes for Singlet Oxygen Emission with Induced Chirality","Chemical Communications","2026","","","","","10.1039/D5CC06879G","","x-ray","0.71073","MoKα","","0.0291","0.0196","","","0.0382","0.0411","","","","","","1.0778","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135324","7.5432","0.0004","8.0975","0.0005","14.2914","0.001","95.85","0.007","95.816","0.007","103.652","0.007","836.72","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 B F N3 O -","- C22 H13 B F N3 O -","- C44 H26 B2 F2 N6 O2 -","2","1","","Figliola, Carlotta; Chériaux, Camille; Oppé, Nicolas; Estaque, Lilian; Retailleau, Pascal; Vanthuyne, Nicolas; Pieters, Gregory; Jacquemin, Denis; Ulrich, Gilles","Design of Heavy-Atom Free Dipyridomethene Boron Complexes for Singlet Oxygen Emission with Induced Chirality","Chemical Communications","2026","","","","","10.1039/D5CC06879G","","","1.54187","CuKα","","0.0711","0.0451","","","0.095","0.116","","","","","","0.9641","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135325","8.2412","0.0006","11.3911","0.0008","21.879","0.0015","90","","90","","90","","2053.9","0.3","140","","140","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Fe O2 -","- C28 H22 Fe O2 -","- C112 H88 Fe4 O8 -","4","1","","Parganiha, Devendra; Upadhyay, Yagya Dutt; Khevariya, Sumit; Patil, Pruthviraj Amar; Jaiswal, Svastik; Dhasmana, Yogesh; Kumar, Sangit","Native Carboxylate-Assisted Enantioselective C-H Annulations with Allenes and 1,3-Dienes on Ferrocene","Chemical Communications","2026","","","","","10.1039/D5CC06160A","","","0.71073","MoKα","","0.0789","0.0535","","","0.1138","0.127","","","","","","1.03","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7135326","4.6753","0.0001","36.904","0.0011","10.6315","0.0003","90","","100.522","0.003","90","","1803.49","0.09","303.3","0.4","303.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F3 N -","- C24 H14 F3 N -","- C96 H56 F12 N4 -","4","1","","Wang, Zhengcheng; Gao, Lin; Yu, Qi; Wang, Guo-Ming","Substituent-modulated organic single crystals with rapid natural light photomechanical response","Chemical Communications","2026","","","","","10.1039/D5CC05755H","","","1.54184","CuKα","","0.0857","0.0651","","","0.1772","0.1895","","","","","","1.082","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7135327","17.2254","0.0006","7.4849","0.0002","26.994","0.0007","90","","107.221","0.003","90","","3324.32","0.18","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 F2 N -","- C23 H13 F2 N -","- C184 H104 F16 N8 -","8","1","","Wang, Zhengcheng; Gao, Lin; Yu, Qi; Wang, Guo-Ming","Substituent-modulated organic single crystals with rapid natural light photomechanical response","Chemical Communications","2026","","","","","10.1039/D5CC05755H","","","1.54184","CuKα","","0.0856","0.0623","","","0.178","0.1946","","","","","","1.069","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135328","18.3518","0.0003","5.289","0.0001","17.3164","0.0003","90","","109.188","0.002","90","","1587.4","0.05","149.99","0.1","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N -","- C23 H15 N -","- C92 H60 N4 -","4","1","","Wang, Zhengcheng; Gao, Lin; Yu, Qi; Wang, Guo-Ming","Substituent-modulated organic single crystals with rapid natural light photomechanical response","Chemical Communications","2026","","","","","10.1039/D5CC05755H","","","1.54184","CuKα","","0.0389","0.0355","","","0.0967","0.0997","","","","","","1.066","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135329","30.981","0.0002","14.8646","0.0001","25.5815","0.0002","90","","90","","90","","11780.8","0.14","160","2","160","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C108 H155 Cs2 O12 P7 Pd6 -","- C108 H155 Cs2 O12 P7 Pd6 -","- C432 H620 Cs8 O48 P28 Pd24 -","4","1","","Krämer, Felix; Kennedy, Alan; Fernandez, Israel; Mulvey, Robert E.","A Palladium Inverse Crown: Synthesis and Characterisation","Chemical Communications","2026","","","","","10.1039/D5CC06236E","","","1.54184","CuKα","","0.047","0.0435","","","0.1131","0.1155","","","","","","1.054","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7135330","13.5461","0.0003","3.8602","0.0001","46.3601","0.0009","90","","95.505","0.002","90","","2413.02","0.09","100.15","","100.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C120 H64 O16 S16 -","8","1","","Ueda, Masafumi; Uehara, Asuka; Usui, Kazuteru; Hasegawa, Masashi","A Folded Mechanochromic Organic Fluorophore Based on Thianthrene-Fused Coumarin","Chemical Communications","2026","","","","","10.1039/D5CC05320J","","x-ray","1.54184","CuKα","","0.0342","0.0329","","","0.0862","0.0873","","","","","","1.043","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135331","6.8001","0.0002","14.5918","0.0005","12.0415","0.0004","90","","94.287","0.003","90","","1191.48","0.07","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 O2 S2 -","- C15 H8 O2 S2 -","- C60 H32 O8 S8 -","4","1","","Ueda, Masafumi; Uehara, Asuka; Usui, Kazuteru; Hasegawa, Masashi","A Folded Mechanochromic Organic Fluorophore Based on Thianthrene-Fused Coumarin","Chemical Communications","2026","","","","","10.1039/D5CC05320J","","x-ray","1.54184","CuKα","","0.047","0.0438","","","0.1282","0.1306","","","","","","1.097","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135332","15.4148","0.0001","16.6168","0.0001","15.9182","0.0001","90","","97.988","0.001","90","","4037.8","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 Au B21 P -","- C32 H47 Au B21 P -","- C128 H188 Au4 B84 P4 -","4","1","","Thornton, Ragene; French, Kirk; Shuford, Kevin; Martin, Caleb Daniel","Reactivity of Gold and Copper Acetylide with a Secondary Borane","Chemical Communications","2026","","","","","10.1039/D5CC06957B","","x-ray","1.54184","CuKα","","0.0375","0.0373","","","0.1037","0.1038","","","","","","1.0311","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135333","12.6977","0.0006","13.7024","0.0005","23.9248","0.001","90","","103.948","0.002","90","","4039.9","0.3","161","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 B21 Cu P -","- C32 H47 B21 Cu P -","- C128 H188 B84 Cu4 P4 -","4","1","","Thornton, Ragene; French, Kirk; Shuford, Kevin; Martin, Caleb Daniel","Reactivity of Gold and Copper Acetylide with a Secondary Borane","Chemical Communications","2026","","","","","10.1039/D5CC06957B","","","0.71073","MoKα","","0.0338","0.0312","","","0.0856","0.0875","","","","","","1.0444","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7135334","21.659","0.002","19.2095","0.0018","7.3318","0.0007","90","","97.873","0.006","90","","3021.7","0.5","213","2","213","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C42 H25 N3 S -","- C42 H25 N3 S -","- C168 H100 N12 S4 -","4","2","","Liu, Minglun; Zheng, Xiaoxue; Zhang, Min; Yao, Shankun; Zhang, Pan; Liang, Lili; Chen, Yuncong","Construction of a pyrene based AIEgen for ratiometric detection of trace water in organic solvents","Chemical Communications","2026","","","","","10.1039/D5CC05316A","","","1.34139","GaKα","","0.1257","0.1031","","","0.2437","0.2566","","","","","","1.066","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7135335","35.6279","0.0017","7.9727","0.0004","15.4012","0.0007","90","","90","","90","","4374.7","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Hu, Chunyang; Liu, Zuquan; Li, Chenxing; Feng, Jianquan; Zhu, Yiwei; Du, Ding","Enantioselective Synthesis of N-Arylpyrrole Aldehydes via NHC-Organocatalytic Atroposelective Desymmetrization Followed by Kinetic Resolution","Chemical Communications","2026","","","","","10.1039/D5CC06389B","","x-ray","1.54184","CuKα","","0.1444","0.1043","","","0.2051","0.2229","","","","","","1.205","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7160912","20.836","0.004","7.1335","0.0013","21.837","0.005","90","","146.592","0.005","90","","1787.1","0.7","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O4 -","- C24 H17 N O4 -","- C96 H68 N4 O16 -","4","1","","Ahmad, Farukh; Singh, Rajeev; Ahmed, Naseem","Solvent-assisted one-pot green and diastereoselective synthesis of 1,4-oxazines and 1,4-thioxazines under metal-free conditions","Organic & Biomolecular Chemistry","2026","","","","","10.1039/D5OB01466B","","","0.71073","MoKα","","0.0824","0.0618","","","0.1685","0.1864","","","","","","1.095","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251393","17.7514","0.0003","5.68736","0.00012","13.0019","0.0004","90","","110.823","0.0009","90","","1226.91","0.05","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Aminocaproic acid oxalate dihydrate","","- C8 H19 N O8 -","- C8 H19 N O8 -","- C32 H76 N4 O32 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.085","0.0361","","","0.1034","0.1124","","","","","","1.035","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251394","8.3098","0.0003","9.6361","0.0004","10.8666","0.0004","96.5031","0.0013","106.955","0.0013","101.119","0.0013","803.26","0.05","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Aminomethyl benzoic acid 2-chloro-4-nitrobenzoate monohydrate","","- C15 H15 Cl N2 O7 -","- C15 H15 Cl N2 O7 -","- C30 H30 Cl2 N4 O14 -","2","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0595","0.0439","","","0.1205","0.134","","","","","","1.036","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251395","5.5781","0.0005","9.1736","0.0008","25.93","0.002","91.052","0.003","92.193","0.003","90.552","0.003","1325.6","0.19","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Aminocaproic acid orotate","","- C11 H17 N3 O6 -","- C11 H17 N3 O6 -","- C44 H68 N12 O24 -","4","2","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0697","0.0624","","","0.1777","0.1832","","","","","","1.077","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251396","14.34","0.005","13.802","0.013","14.671","0.005","90","","90","","90","","2904","3","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Aminocaproic acid saccharate","","- C15 H14 N2 O5 S -","- C15 H14 N2 O5 S -","- C120 H112 N16 O40 S8 -","8","2","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0545","0.0379","","","0.0909","0.101","","","","","","1.044","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251397","12.3917","0.0002","11.7324","0.0002","14.9593","0.0002","90","","100.549","0.0007","90","","2138.09","0.06","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Aminomethyl benzoic acid tartarate mono hydrate","","- C20 H26 N2 O11 -","- C20 H26 N2 O11 -","- C80 H104 N8 O44 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0576","0.0452","","","0.119","0.131","","","","","","1.042","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251398","6.6096","0.0004","7.0278","0.0004","11.2902","0.0008","72.9234","0.0019","74.834","0.002","69.87","0.0017","463.1","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Aminomethylbenzoic acid oxalate","","- C9 H10 N O4 -","- C9 H10 N O4 -","- C18 H20 N2 O8 -","2","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0542","0.0442","","","0.1303","0.141","","","","","","1.038","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251399","8.6376","0.0003","9.5114","0.0004","15.9873","0.0006","79.9178","0.0012","80.8899","0.0012","88.4671","0.0013","1276.85","0.08","294","2","294","2","","","","","","","","4","P -1","-P 1","2","Aminocaproic acid-tartarate","Aminocaproic acid-tartarate","","- C20 H38 N2 O16 -","- C20 H38 N2 O16 -","- C40 H76 N4 O32 -","2","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.073","0.0428","","","0.1049","0.1239","","","","","","1.032","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7251400","30.203","0.004","5.6916","0.0008","14.254","0.002","90","","99.433","0.006","90","","2417.2","0.6","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Aminocaproic acid oxalate hemi trihydrate","","- C16 H36 N2 O15 -","- C16 H36 N2 O15 -","- C64 H144 N8 O60 -","4","0.5","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0536","0.042","","","0.1103","0.1188","","","","","","1.039","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251401","13.6402","0.0003","8.6125","0.0003","6.3343","0.0005","90","","90","","90","","744.13","0.07","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Aminomethyl benzoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0452","0.0371","","","0.0908","0.0967","","","","","","1.057","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251402","5.8889","0.0006","10.2677","0.001","11.2466","0.001","102.25","0.003","93.673","0.003","91.141","0.004","662.79","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Aminomethyl benzoic acid orotate","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C26 H26 N6 O12 -","2","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0744","0.0526","","","0.1503","0.1661","","","","","","1.084","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251403","7.5263","0.0019","12.781","0.004","21.505","0.006","77.876","0.007","88.418","0.007","79.491","0.007","1988.5","1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Aminocaproic acid-caffeic acid hydrate","","- C36 H60.19 N3 O16.6 -","- C36 H60.194 N3 O16.597 -","- C72 H120.388 N6 O33.194 -","2","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms","CrystEngComm","2026","","","","","10.1039/D5CE00830A","","","0.71073","MoKα","","0.0869","0.0496","","","0.1316","0.1548","","","","","","1.052","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7251404","10.524","0.0003","15.0537","0.0005","27.8","0.0008","90","","90","","90","","4404.2","0.2","230.15","","230.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2a","","- C24 H12 Br4 N2 -","- C24 H12 Br4 N2 -","- C192 H96 Br32 N16 -","8","1","","Li, Linjie; Shang, Yunyi; Gao, Yujia; Zhang, Yanfeng; Xu, Chao; Zhang, Qichun; Wang, Hui","Metal-free and visible photons for the dehydrogenative N-N coupling of amines: Powerful methods to optoelectronic materials","Green Chemistry","2026","","","","","10.1039/D5GC04907E","","","1.54178","CuKα","","0.0359","0.0351","","","0.0845","0.0851","","","","","","1.107","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251405","15.695","0.002","11.5619","0.0018","18.283","0.003","90","","106.336","0.004","90","","3183.8","0.8","126","2","126","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H64 N8 O8 -","- C70 H64 N8 O8 -","- C140 H128 N16 O16 -","2","0.5","","Tharmalingam, Balamurugan; Sukhanov, Andrey A.; Pei, Yuying; Sambucari, Greta; Ramos, Talita; Zhao, Jianzhang; Voronkova, Violeta K.; Di Donato, Mariangela","Long-lived charge separated states in spiro-compact rhodamine–naphthalenediimide D–A–D systems: synthesis and time-resolved optical and electron paramagnetic resonance spectroscopic studies","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D5CP03836G","","","0.71073","MoKα","","0.1634","0.0803","","","0.2179","0.2698","","","","","","1.065","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251406","12.294","0.002","13.387","0.002","20.532","0.003","86.872","0.006","87.845","0.005","83.021","0.006","3347.5","0.9","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H74 N9 O8 -","- C76 H74 N9 O8 -","- C152 H148 N18 O16 -","2","1","","Tharmalingam, Balamurugan; Sukhanov, Andrey A.; Pei, Yuying; Sambucari, Greta; Ramos, Talita; Zhao, Jianzhang; Voronkova, Violeta K.; Di Donato, Mariangela","Long-lived charge separated states in spiro-compact rhodamine–naphthalenediimide D–A–D systems: synthesis and time-resolved optical and electron paramagnetic resonance spectroscopic studies","Physical Chemistry Chemical Physics","2026","","","","","10.1039/D5CP03836G","","","0.71073","MoKα","","0.1762","0.1104","","","0.3114","0.3647","","","","","","1.174","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251411","4.6803","0.0009","40.269","0.007","9.2487","0.0017","90","","96.433","0.005","90","","1732.1","0.6","299","","299","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Ahamed , Riyaaz; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit","Dual-Responsive Benzylidene Indanone Crystals: Mechanical Flexibility Coupled with Reversible Acidochromism","CrystEngComm","2026","","","","","10.1039/D5CE00958H","","","0.71073","MoKα","","0.1364","0.0962","","","0.2232","0.2463","","","","","","1.135","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251412","4.8459","0.0008","35.354","0.006","9.1074","0.0015","90","","97.576","0.005","90","","1546.7","0.4","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 O4 -","- C19 H17 O4 -","- C76 H68 O16 -","4","1","","Ahamed , Riyaaz; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit","Dual-Responsive Benzylidene Indanone Crystals: Mechanical Flexibility Coupled with Reversible Acidochromism","CrystEngComm","2026","","","","","10.1039/D5CE00958H","","","0.71073","MoKα","","0.138","0.0595","","","0.1496","0.2108","","","","","","1.061","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7251433","12.8851","0.0004","13.6763","0.0004","14.8823","0.0005","90","","90","","90","","2622.57","0.14","102","4","102","4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 Cl2 Cu2 N2 O7 -","- C29 H20 Cl2 Cu2 N2 O7 -","- C116 H80 Cl8 Cu8 N8 O28 -","4","1","","Pantelis, Konstantinos; Alexandropoulos, Dimitris I.; Escuer, Albert; Kostakis, George E.; Stamatatos, Theocharis C.","A Preformed 1‐D {CuII2}n Helical Chain as Precursor to a Decanuclear 0-D {CuII8MnII2} Cluster: Synthesis, Structure and Magnetism","CrystEngComm","2026","","","","","10.1039/D5CE01110H","","x-ray","1.54184","CuKα","","0.0525","0.0521","","","0.1375","0.1383","","","","","","1.04","","","","has coordinates","303288","2025-12-27","12:51:16",""
"7251434","77.1822","0.0012","16.6415","0.0004","29.2589","0.0007","90","","100.799","0.002","90","","36915.4","1.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C369 H266 Cl24 Cu24 Mn6 N40.5 O90.25 -","- C356 H246 Cl24 Cu24 Mn6 N34 O90 -","- C1424 H984 Cl96 Cu96 Mn24 N136 O360 -","4","0.5","","Pantelis, Konstantinos; Alexandropoulos, Dimitris I.; Escuer, Albert; Kostakis, George E.; Stamatatos, Theocharis C.","A Preformed 1‐D {CuII2}n Helical Chain as Precursor to a Decanuclear 0-D {CuII8MnII2} Cluster: Synthesis, Structure and Magnetism","CrystEngComm","2026","","","","","10.1039/D5CE01110H","","x-ray","1.54184","CuKα","","0.0816","0.0658","","","0.1637","0.1772","","","","","","1.035","","","","has coordinates,has disorder","303288","2025-12-27","12:51:16",""
"7719964","11.9158","0.0003","10.0878","0.0002","16.8524","0.0004","90","","90","","90","","2025.73","0.08","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H14 B F6 N4 Tl -","- C20 H14 B F6 N4 Tl -","- C80 H56 B4 F24 N16 Tl4 -","4","0.5","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","x-ray","0.71073","MoKα","K-L~3~","0.0221","0.0191","","","0.0385","0.0403","","","","","","1.052","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719965","9.5841","0.0007","22.8479","0.0018","13.5563","0.0011","90","","92.504","0.001","90","","2965.7","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 B F9 N6 Tl -","- C30 H19 B F9 N6 Tl -","- C120 H76 B4 F36 N24 Tl4 -","4","1","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","","0.71073","MoKα","","0.0255","0.0219","","","0.0507","0.0523","","","","","","1.033","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719966","11.4445","0.0004","14.4529","0.0005","15.6856","0.0006","88.495","0.002","74.164","0.002","67.788","0.002","2302.17","0.15","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H14 B F10 N4 S2 Tl -","- C18 H14 B F10 N4 S2 Tl -","- C72 H56 B4 F40 N16 S8 Tl4 -","4","2","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","x-ray","0.71073","MoKα","K-L~3~","0.0289","0.0248","","","0.0582","0.0597","","","","","","1.058","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719967","20.1677","0.0012","19.4767","0.0012","13.7339","0.0008","90","","96.574","0.001","90","","5359.2","0.6","99.98","","99.98","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H19 Ag B Cl F10 N4 S2 -","- C20.5 H19 Ag B Cl F10 N4 S2 -","- C164 H152 Ag8 B8 Cl8 F80 N32 S16 -","8","2","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","x-ray","0.71073","MoKα","","0.0291","0.0258","","","0.0635","0.0655","","","","","","1.031","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719968","10.178","0.002","10.282","0.002","10.926","0.002","87.878","0.003","77.995","0.003","82.193","0.003","1108","0.4","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 B F6 N2 Tl -","- C24 H16 B F6 N2 Tl -","- C48 H32 B2 F12 N4 Tl2 -","2","1","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","x-ray","0.71073","MoKα","K-L~3~","0.0299","0.0253","","","0.0569","0.0587","","","","","","1.039","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719969","12.2646","0.0006","17.0628","0.0008","17.8516","0.0008","65.253","0.001","87.773","0.002","86.014","0.002","3384.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Ag B F6 N4 -","- C22 H18 Ag B F6 N4 -","- C132 H108 Ag6 B6 F36 N24 -","6","3","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","","0.71073","MoKα","","0.0709","0.0448","","","0.0761","0.0858","","","","","","1.031","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719970","15.9889","0.0012","16.2352","0.0013","10.0306","0.0008","90","","91.382","0.001","90","","2603","0.4","99.98","","99.98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Ag B Cl2 F6 N2 -","- C27 H22 Ag B Cl2 F6 N2 -","- C108 H88 Ag4 B4 Cl8 F24 N8 -","4","1","","Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes","Dalton Transactions","2026","","","","","10.1039/D5DT02782A","","x-ray","0.71073","MoKα","K-L~3~","0.022","0.0202","","","0.0489","0.0497","","","","","","1.032","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719972","38.767","0.008","9.041","0.002","18.57","0.004","90","","100.26","0.03","90","","6405","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H30.5 As Cl1.5 O3 P Pd -","- C36.5 H30.5 As Cl1.5 O3 P Pd -","- C292 H244 As8 Cl12 O24 P8 Pd8 -","8","2","","Tonon, Giovanni; Rafaniello, Anna; Mauceri, Matteo; Demitri, Nicola; Scattolin, Thomas; Rizzolio, Flavio; Visentin, Fabiano","Palladium(0) and Juglone: a New Alliance in the Fight Against Ovarian Cancer","Dalton Transactions","2026","","","","","10.1039/D5DT01792K","","","0.62","Synchrotron","","0.1916","0.0832","","","0.2045","0.2656","","","","","","0.947","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719973","22.85","0.005","18.79","0.004","27.065","0.005","90","","90","","90","","11620","4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H30 N O3 P Pd -","- C33 H30 N O3 P Pd -","- C528 H480 N16 O48 P16 Pd16 -","16","2","","Tonon, Giovanni; Rafaniello, Anna; Mauceri, Matteo; Demitri, Nicola; Scattolin, Thomas; Rizzolio, Flavio; Visentin, Fabiano","Palladium(0) and Juglone: a New Alliance in the Fight Against Ovarian Cancer","Dalton Transactions","2026","","","","","10.1039/D5DT01792K","","","0.62","Synchrotron","","0.078","0.046","","","0.1254","0.1479","","","","","","1.012","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719974","11.024","0.002","12.556","0.003","16.672","0.003","84.3","0.03","80.22","0.03","78.01","0.03","2219.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Cl6 O4 P2 Pd -","- C48 H36 Cl6 O4 P2 Pd -","- C96 H72 Cl12 O8 P4 Pd2 -","2","1","","Tonon, Giovanni; Rafaniello, Anna; Mauceri, Matteo; Demitri, Nicola; Scattolin, Thomas; Rizzolio, Flavio; Visentin, Fabiano","Palladium(0) and Juglone: a New Alliance in the Fight Against Ovarian Cancer","Dalton Transactions","2026","","","","","10.1039/D5DT01792K","","","0.62","Synchrotron","","0.0315","0.0303","","","0.0794","0.0802","","","","","","1.047","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719975","22.714","0.005","18.484","0.004","26.741","0.005","90","","90","","90","","11227","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H30 N O3 P Pd -","- C33 H30 N O3 P Pd -","- C528 H480 N16 O48 P16 Pd16 -","16","2","","Tonon, Giovanni; Rafaniello, Anna; Mauceri, Matteo; Demitri, Nicola; Scattolin, Thomas; Rizzolio, Flavio; Visentin, Fabiano","Palladium(0) and Juglone: a New Alliance in the Fight Against Ovarian Cancer","Dalton Transactions","2026","","","","","10.1039/D5DT01792K","","","0.62","Synchrotron","","0.0464","0.0367","","","0.0922","0.0986","","","","","","1.024","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719976","14.0383","0.0012","19.3462","0.0013","18.1476","0.0014","90","","111.899","0.002","90","","4573","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H59 Cl2 F6 Ir O P2 -","- C47 H59 Cl2 F6 Ir O P2 -","- C188 H236 Cl8 F24 Ir4 O4 P8 -","4","1","","Talavera, Maria; Gómez, Antonio; Otero, Nicolás; Peña-Gallego, Ángeles; Bolaño, Sandra","Unprecedented 1,2-mesityl shift for the synthesis of iridafurans","Dalton Transactions","2026","","","","","10.1039/D5DT02755A","","","0.71073","MoKα","","0.0774","0.0503","","","0.1214","0.1375","","","","","","1.04","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719977","12.3764","0.001","12.7856","0.0012","13.4518","0.0012","95.205","0.003","115.84","0.003","111.233","0.003","1705.5","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","SNM_MKK_EXP30","","- C30 H30.8 Cl2 Cu N8 O8.4 -","- C30 H30.8 Cl2 Cu N8 O8.4 -","- C60 H61.6 Cl4 Cu2 N16 O16.8 -","2","1","","Kumawat, Manoj Kumar; Mathur, Shobhit; Rathnam, Sharan Shanmuga Vuppaladadium; Jangra, Jitender; Roy, Anindya; Maji, Somnath","Comprehensive Design, Synthesis of Methyl Substituted Benzimidazole-based Mononuclear Copper(II) Complexes and Evaluation of DNA Cleavage and ROS-induced Apoptosis","Dalton Transactions","2026","","","","","10.1039/D5DT02281A","","","0.71073","MoKα","","0.0503","0.0406","","","0.1118","0.1191","","","","","","1.028","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719978","10.7413","0.0007","11.326","0.0007","30.914","0.002","90","","90","","90","","3760.9","0.4","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","SNM_MKK_Exp_29","","- C34 H33 Cl2 Cu N9 O8 -","- C32 H30 Cl2 Cu N8 O8 -","- C128 H120 Cl8 Cu4 N32 O32 -","4","0.5","","Kumawat, Manoj Kumar; Mathur, Shobhit; Rathnam, Sharan Shanmuga Vuppaladadium; Jangra, Jitender; Roy, Anindya; Maji, Somnath","Comprehensive Design, Synthesis of Methyl Substituted Benzimidazole-based Mononuclear Copper(II) Complexes and Evaluation of DNA Cleavage and ROS-induced Apoptosis","Dalton Transactions","2026","","","","","10.1039/D5DT02281A","","","0.71073","MoKα","","0.1096","0.0654","","","0.1855","0.2205","","","","","","1.045","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719979","10.3672","0.0009","11.7373","0.0012","13.862","0.0014","83.732","0.004","88.201","0.003","86.873","0.003","1673.6","0.3","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","SNM_MKK_EXP34","","- C32 H27 Cl2 Cu N9 O8 -","- C32 H27 Cl2 Cu N9 O8 -","- C64 H54 Cl4 Cu2 N18 O16 -","2","1","","Kumawat, Manoj Kumar; Mathur, Shobhit; Rathnam, Sharan Shanmuga Vuppaladadium; Jangra, Jitender; Roy, Anindya; Maji, Somnath","Comprehensive Design, Synthesis of Methyl Substituted Benzimidazole-based Mononuclear Copper(II) Complexes and Evaluation of DNA Cleavage and ROS-induced Apoptosis","Dalton Transactions","2026","","","","","10.1039/D5DT02281A","","","0.71073","MoKα","","0.0859","0.0511","","","0.1245","0.1434","","","","","","1.016","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719980","8.2663","0.0007","20.2627","0.0018","10.2878","0.001","90","","93.252","0.003","90","","1720.4","0.3","172","","172","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H31 Cl2 Cu N7 O8 -","- C32 H31 Cl2 Cu N7 O8 -","- C64 H62 Cl4 Cu2 N14 O16 -","2","1","","Kumawat, Manoj Kumar; Mathur, Shobhit; Rathnam, Sharan Shanmuga Vuppaladadium; Jangra, Jitender; Roy, Anindya; Maji, Somnath","Comprehensive Design, Synthesis of Methyl Substituted Benzimidazole-based Mononuclear Copper(II) Complexes and Evaluation of DNA Cleavage and ROS-induced Apoptosis","Dalton Transactions","2026","","","","","10.1039/D5DT02281A","","","0.71073","MoKα","","0.0589","0.0495","","","0.1295","0.1371","","","","","","1.0251","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719981","28.447","0.003","12.6282","0.0011","28.313","0.002","90","","90.361","0.005","90","","10170.8","1.6","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C72 H64 Cu8.5 N24 Na O50 P W11.5 -","- C72 H60 Cu8.578 N24 Na O50 P W11.422 -","- C288 H240 Cu34.312 N96 Na4 O200 P4 W45.688 -","4","0.5","","Wang, Quan Quan; Ren, Rong-Xian; Gong, Rui Jie; Zhao, Shao Da; Yan, Pinfang; Xu, Yan","Polyoxometalate-based Catalysts for Visible-Light Driven Hydrolytic Hydrogen Production: Coordinatively Unsaturated Cu-based Active Sites Enhance Performance","Dalton Transactions","2026","","","","","10.1039/D5DT02675J","","","0.71073","MoKα","","0.1118","0.0914","","","0.2568","0.2708","","","","","","1.055","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719982","28.347","0.003","28.347","0.003","19.755","0.005","90","","90","","120","","13747","4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C144 H162 Cu13 N54 O66 Si W11 -","- C144 H108 Cu13.0002 N54 O66 Si W10.9998 -","- C432 H324 Cu39.0006 N162 O198 Si3 W32.9994 -","3","0.166667","","Wang, Quan Quan; Ren, Rong-Xian; Gong, Rui Jie; Zhao, Shao Da; Yan, Pinfang; Xu, Yan","Polyoxometalate-based Catalysts for Visible-Light Driven Hydrolytic Hydrogen Production: Coordinatively Unsaturated Cu-based Active Sites Enhance Performance","Dalton Transactions","2026","","","","","10.1039/D5DT02675J","","","0.71073","MoKα","","0.0636","0.036","","","0.0795","0.0875","","","","","","1.035","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719983","22.677","0.003","22.677","0.003","18.449","0.004","90","","90","","90","","9487","3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C55 H66 N2 O2 Sb -","- C55 H66 N2 O2 Sb -","- C440 H528 N16 O16 Sb8 -","8","1","","Baryshnikova, Svetlana V.; Shisterova, Polina; Arsenyev, Maxim V.; Meshcheryakova, Irina N.; Kolevatov, Dmitry S.; Yakushev, Ilya; Aysin, Rinat R.; Kocherova, Tatyana N.; Piskunov, Alexandr Vladimirovich","Antimony(V) complexes with a tetradentate ONNO redox-active ligands. Optical, electrochemical and photothermal properties","Dalton Transactions","2026","","","","","10.1039/D5DT02666K","","","0.75172","synchrotron","","0.0668","0.0424","","","0.0875","0.0961","","","","","","1.042","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719984","10.3867","0.0014","28.242","0.002","18.778","0.001","90","","94.676","0.009","90","","5490","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H77 N2 O2 Sb -","- C65.5 H77 N2 O2 Sb -","- C262 H308 N8 O8 Sb4 -","4","1","","Baryshnikova, Svetlana V.; Shisterova, Polina; Arsenyev, Maxim V.; Meshcheryakova, Irina N.; Kolevatov, Dmitry S.; Yakushev, Ilya; Aysin, Rinat R.; Kocherova, Tatyana N.; Piskunov, Alexandr Vladimirovich","Antimony(V) complexes with a tetradentate ONNO redox-active ligands. Optical, electrochemical and photothermal properties","Dalton Transactions","2026","","","","","10.1039/D5DT02666K","","","0.75172","synchrotron","","0.0413","0.0345","","","0.0911","0.0926","","","","","","1.036","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719985","8.5398","0.0004","10.3318","0.0006","15.7479","0.0009","86.416","0.002","82.774","0.002","75.071","0.002","1331.24","0.13","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C57 H52 Mn2 N12 O S4 -","- C57 H52 Mn2 N12 O S4 -","- C57 H52 Mn2 N12 O S4 -","1","1","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0769","0.0595","","","0.1637","0.1795","","","","","","1.051","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719986","18.502","0.0011","9.0264","0.0005","30.8068","0.0018","90","","93.298","0.002","90","","5136.4","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C105 H100 I8 Mn4 N16 O -","- C105 H100 I8 Mn4 N16 O -","- C210 H200 I16 Mn8 N32 O2 -","2","0.5","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0601","0.036","","","0.0625","0.0674","","","","","","1.019","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719987","16.7866","0.001","8.6559","0.0004","17.8003","0.0011","90","","98.624","0.002","90","","2557.2","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H60 Cl4 Mn2 N8 O3 -","- C55 H60 Cl4 Mn2 N8 O3 -","- C110 H120 Cl8 Mn4 N16 O6 -","2","1","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0538","0.0417","","","0.0978","0.1058","","","","","","1.063","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719988","7.4816","0.0007","8.1505","0.0007","13.3712","0.0011","73.602","0.003","85.395","0.003","83.015","0.003","775.48","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Br2 Mn N3 -","- C14 H17 Br2 Mn N3 -","- C28 H34 Br4 Mn2 N6 -","2","1","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0181","0.0166","","","0.0406","0.0415","","","","","","1.058","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719989","7.4659","0.0004","7.887","0.0004","13.229","0.0007","76.203","0.002","82.975","0.002","83.785","0.002","748.28","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Cl2 Mn N3 -","- C14 H17 Cl2 Mn N3 -","- C28 H34 Cl4 Mn2 N6 -","2","1","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0194","0.0191","","","0.0516","0.052","","","","","","1.065","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719990","15.5045","0.0011","8.2247","0.0007","12.8592","0.0011","90","","95.122","0.003","90","","1633.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Mn N9 -","- C14 H17 Mn N9 -","- C56 H68 Mn4 N36 -","4","1","","Pilichos, Evangelos; Mayans, Julia; Escuer, Albert","Probing the need of a very low axial zero field splitting in MnII systems with slow relaxation of the magnetization","Dalton Transactions","2026","","","","","10.1039/D5DT02349A","","","0.71073","MoKα","","0.0483","0.033","","","0.0742","0.0889","","","","","","1.101","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719991","13.1373","0.0004","13.3017","0.0004","16.1154","0.0005","105.89","0.001","91.806","0.001","112.976","0.001","2463.02","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H144 N8 Na4 O24 P14 Pd2 -","- C72 H144 N8 Na4 O24 P14 Pd2 -","- C72 H144 N8 Na4 O24 P14 Pd2 -","1","0.5","","Pan, Fuxing; Tang, Yu; Deng, Minghao; Wang, Xinyue","[Pd2(η4-P7)2]4–: a Pd2 dimer sandwiched by two anionic nortricyclane-type polyphosphide","Dalton Transactions","2026","","","","","10.1039/D5DT02437D","","","0.71073","MoKα","","0.0368","0.0278","","","0.074","0.0817","","","","","","1.073","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719993","7.438","0.0002","8.6512","0.0003","8.7348","0.0003","72.143","0.001","80.254","0.001","87.762","0.001","527.22","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 N O9 Pr -","- C8 H7 N O9 Pr -","- C16 H14 N2 O18 Pr2 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","x-ray","0.71073","MoKα","","0.0194","0.0173","","","0.0415","0.0421","","","","","","1.113","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7719994","6.1592","0.0003","8.7809","0.0005","14.7102","0.0007","76.981","0.002","81.424","0.002","72.924","0.002","738.01","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Dy N2 O11 -","- C14 H9 Dy N2 O11 -","- C28 H18 Dy2 N4 O22 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","","0.71073","MoKα","","0.0354","0.0306","","","0.0616","0.0642","","","","","","1.105","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719995","6.1792","0.0003","8.794","0.0005","14.8202","0.0007","76.894","0.002","81.634","0.002","72.212","0.002","744.33","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Eu N2 O11 -","- C14 H9 Eu N2 O11 -","- C28 H18 Eu2 N4 O22 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","x-ray","0.71073","MoKα","","0.033","0.0258","","","0.0516","0.0548","","","","","","1.065","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719996","7.4577","0.0005","8.6194","0.0005","8.6832","0.0005","72.126","0.002","80.223","0.002","87.674","0.002","523.47","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 N Nd O9 -","- C8 H7 N Nd O9 -","- C16 H14 N2 Nd2 O18 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","x-ray","0.71073","MoKα","","0.0433","0.0335","","","0.0631","0.0664","","","","","","1.067","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719997","6.1436","0.0003","8.7628","0.0004","14.6574","0.0006","77.041","0.001","81.399","0.001","73.263","0.002","733.35","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Er N2 O11 -","- C14 H9 Er N2 O11 -","- C28 H18 Er2 N4 O22 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","","0.71073","MoKα","","0.0214","0.019","","","0.0403","0.0414","","","","","","1.054","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719998","6.1766","0.0006","8.7797","0.0007","14.8046","0.0015","76.912","0.003","81.497","0.004","72.376","0.003","742.55","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Gd N2 O11 -","- C14 H9 Gd N2 O11 -","- C28 H18 Gd2 N4 O22 -","2","1","","Katuwana Arachchige, Ashanthi Kumari; Lottes, Brett; Unruh, Daniel K.; Greer, Samuel M.; Stein, Benjamin William; Carter, Korey Prescott","Combining Coordination and Chelation Moieties to Engineer a New Linker for Lanthanide Coordination Chemistry","Dalton Transactions","2026","","","","","10.1039/D5DT02620B","","","0.71073","MoKα","","0.0316","0.0282","","","0.0537","0.0553","","","","","","1.077","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7719999","13.961","0.003","16.166","0.003","19.464","0.004","90","","90","","90","","4392.9","1.5","110.15","","110.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H29 Br3 Ru2 -","- C20 H29 Br3 Ru2 -","- C160 H232 Br24 Ru16 -","8","1","","Tay, Boon Ying; Wang, Cun; Tan, Davin; Dighe, Shashikant U.; Stubbs, Ludger P.; Gholap, Sandeep Suryabhan; Huynh, Han Vinh","Dinuclear p-Cymene Ruthenium Hydrido Complexes as Active Catalysts for the Hydrogenation of Levulinic Acid to γ-Valerolactone with Formic Acid as the Hydrogen Source","Dalton Transactions","2026","","","","","10.1039/D5DT02040A","","","0.71073","MoKα","","0.042","0.0373","","","0.078","0.0805","","","","","","1.104","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7720000","9.0447","0.0001","28.1677","0.0002","9.3132","0.0001","90","","90.348","0.001","90","","2372.67","0.04","100","0.3","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","NNNNiBr","","- C25 H29 Br2 N5 Ni -","- C25 H29 Br2 N5 Ni -","- C100 H116 Br8 N20 Ni4 -","4","1","","Mondal, Bijan; Mohanty, Aisa; Daw, Prosenjit","Dehydrogenation of Ammonia-Borane Employing an Air-stable, Phosphine-free Molecular Nickel Pincer Catalyst","Dalton Transactions","2026","","","","","10.1039/D5DT02924D","","x-ray","1.54184","CuKα","","0.025","0.0243","","","0.0658","0.0662","","","","","","1.059","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7720001","9.31157","0.00005","6.89229","0.00004","25.41149","0.00018","90","","92.3034","0.0006","90","","1629.54","0.017","300","0.1","300.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NNNNiCl2","","- C16 H15 Cl2 N3 Ni O -","- C16 H15 Cl2 N3 Ni O -","- C64 H60 Cl8 N12 Ni4 O4 -","4","1","","Mondal, Bijan; Mohanty, Aisa; Daw, Prosenjit","Dehydrogenation of Ammonia-Borane Employing an Air-stable, Phosphine-free Molecular Nickel Pincer Catalyst","Dalton Transactions","2026","","","","","10.1039/D5DT02924D","","","1.54184","CuKα","","0.0249","0.0232","","","0.061","0.0621","","","","","","1.075","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7720002","11.1625","0.0001","12.3317","0.0001","15.6518","0.0002","90","","101.791","0.001","90","","2109.05","0.04","99.97","0.19","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","NNNiCl2_pyro","","- C11.5 H12.5 Cl N2.5 Ni0.5 -","- C11.5 H12.5 Cl N2.5 Ni0.5 -","- C92 H100 Cl8 N20 Ni4 -","8","1","","Mondal, Bijan; Mohanty, Aisa; Daw, Prosenjit","Dehydrogenation of Ammonia-Borane Employing an Air-stable, Phosphine-free Molecular Nickel Pincer Catalyst","Dalton Transactions","2026","","","","","10.1039/D5DT02924D","","","1.54184","CuKα","","0.0465","0.0433","","","0.1077","0.1095","","","","","","1.083","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7720003","10.347","0.003","11.574","0.003","16.044","0.004","91.49","0.007","107.483","0.007","110.675","0.007","1695.7","0.8","150","","150","","","","","","","","","6","P -1","-P 1","2","","RM-SA-98-RE","","- C38 H118 Cu N6 O26 P4 -","- C38 H118 Cu N6 O26 P4 -","- C38 H118 Cu N6 O26 P4 -","1","0.5","","Chaudhary, Savi; Murugavel, Ramaswamy","Ligand-Mediated Modulation in Copper(II) Complexes for Four-Electron Oxygen Reduction in Neutral Medium","Dalton Transactions","2026","","","","","10.1039/D5DT01736J","","","0.71073","MoKα","","0.0982","0.0548","","","0.1155","0.1381","","","","","","1.02","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7720004","8.8691","0.0006","24.7007","0.0015","31.117","0.003","90","","90","","90","","6816.9","0.9","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H54 Cu N2 O9 P2 -","- C22 H54 Cu N2 O9 P2 -","- C176 H432 Cu8 N16 O72 P16 -","8","2","","Chaudhary, Savi; Murugavel, Ramaswamy","Ligand-Mediated Modulation in Copper(II) Complexes for Four-Electron Oxygen Reduction in Neutral Medium","Dalton Transactions","2026","","","","","10.1039/D5DT01736J","","x-ray","0.71073","MoKα","","0.0877","0.0628","","","0.1452","0.1691","","","","","","1.032","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7720005","10.12541","0.00006","13.0254","0.00009","13.97395","0.00011","117.407","0.0007","104.604","0.0006","95.7305","0.0005","1532.45","0.02","99.99","0.1","99.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C28 H26 Cl3 F3 O3 P2 Pd S -","- C28 H26 Cl3 F3 O3 P2 Pd S -","- C56 H52 Cl6 F6 O6 P4 Pd2 S2 -","2","1","","Blom, Burgert; Prince, Sharon; Roufosse, Basile; Brice, Thomas; Papaldo, Marco; Macharia, Lucy; Serala, Karabo; Mlaza, Vuyo; Medupe, Thato; Marschner, Christoph; Cleij, Thomas","Mono- and Bimetallic Homo- and Heterodinuclear Pd and Pt Complexes Bridged by Diphosphines: Synthesis, Characterisation and Cytotoxicity","Dalton Transactions","2026","","","","","10.1039/D5DT02044A","","x-ray","1.54184","CuKα","","0.0299","0.0297","","","0.0737","0.0739","","","","","","1.0352","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7720006","14.0876","0.0001","15.3403","0.0001","19.8791","0.0002","90","","105.111","0.001","90","","4147.49","0.06","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41.8 H39.6 Cl2.53 F3.06 O2.86 P3 Pd S0.95 -","- C41.47 H40 Cl2.526 F2.904 O3.05 P3 Pd S0.974 -","- C165.88 H160 Cl10.104 F11.616 O12.2 P12 Pd4 S3.896 -","4","1","","Blom, Burgert; Prince, Sharon; Roufosse, Basile; Brice, Thomas; Papaldo, Marco; Macharia, Lucy; Serala, Karabo; Mlaza, Vuyo; Medupe, Thato; Marschner, Christoph; Cleij, Thomas","Mono- and Bimetallic Homo- and Heterodinuclear Pd and Pt Complexes Bridged by Diphosphines: Synthesis, Characterisation and Cytotoxicity","Dalton Transactions","2026","","","","","10.1039/D5DT02044A","","x-ray","1.54184","CuKα","","0.0358","0.034","","","0.0824","0.0836","","","","","","1.036","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7720007","10.2907","0.0001","17.9374","0.0002","34.5299","0.0005","90","","97.988","0.001","90","","6311.98","0.13","99.99","0.1","99.99","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C65 H66 Cl3 F3 O3 P4 Pd Ru S -","- C65 H66 Cl3 F3 O3 P4 Pd Ru S -","- C260 H264 Cl12 F12 O12 P16 Pd4 Ru4 S4 -","4","1","","Blom, Burgert; Prince, Sharon; Roufosse, Basile; Brice, Thomas; Papaldo, Marco; Macharia, Lucy; Serala, Karabo; Mlaza, Vuyo; Medupe, Thato; Marschner, Christoph; Cleij, Thomas","Mono- and Bimetallic Homo- and Heterodinuclear Pd and Pt Complexes Bridged by Diphosphines: Synthesis, Characterisation and Cytotoxicity","Dalton Transactions","2026","","","","","10.1039/D5DT02044A","","x-ray","1.54184","CuKα","","0.0931","0.0881","","","0.2255","0.2292","","","","","","1.071","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7720008","10.5373","0.0011","10.8063","0.0011","29.723","0.003","90","","90.486","0.004","90","","3384.4","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Fe N5 O4 Se -","- C35 H38 Fe N5 O4 Se -","- C140 H152 Fe4 N20 O16 Se4 -","4","1","","Dey, Bijoy; Titis, Jan; Mehta, Sakshi; Mondal, Abhishake; Chandrasekhar, Vadapalli","Thermal Monomerization Unlocks 3/2↔5/2 Spin Crossover in a Kinetically Trapped High Spin Fe(III) Dimer","Dalton Transactions","2026","","","","","10.1039/D5DT02175H","","","0.71073","MoKα","","0.0927","0.075","","","0.1524","0.1598","","","","","","1.138","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7720009","11.0509","0.0006","11.3802","0.0006","19.4658","0.0007","73.82","0.004","74.571","0.004","63.611","0.005","2077.1","0.2","100","10","100","10","","","","","","","","6","P -1","-P 1","2","","","","- C39 H48 Fe2 N6 O7 Se2 -","- C39 H48 Fe2 N6 O7 Se2 -","- C78 H96 Fe4 N12 O14 Se4 -","2","1","","Dey, Bijoy; Titis, Jan; Mehta, Sakshi; Mondal, Abhishake; Chandrasekhar, Vadapalli","Thermal Monomerization Unlocks 3/2↔5/2 Spin Crossover in a Kinetically Trapped High Spin Fe(III) Dimer","Dalton Transactions","2026","","","","","10.1039/D5DT02175H","","x-ray","0.71073","MoKα","","0.0721","0.0459","","","0.1279","0.1415","","","","","","0.969","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7720010","6.9874","0.0003","12.2254","0.0006","13.3032","0.0006","102.936","0.001","94.353","0.001","91.086","0.002","1103.62","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 F6 Mn N3 O4 P -","- C18 H21 F6 Mn N3 O4 P -","- C36 H42 F12 Mn2 N6 O8 P2 -","2","1","","Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald","Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions","Dalton Transactions","2026","","","","","10.1039/D5DT02844B","","x-ray","0.71073","MoKα","","0.0647","0.0388","","","0.0838","0.0926","","","","","","1.012","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7720011","18.8329","0.0002","30.9457","0.0004","14.1235","0.0002","90","","90","","90","","8231.14","0.18","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","BP_5","","- C84 H118 Cl Mn2 N4 O9 -","- C84 H118 Cl Mn2 N4 O9 -","- C336 H472 Cl4 Mn8 N16 O36 -","4","0.5","","Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald","Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions","Dalton Transactions","2026","","","","","10.1039/D5DT02844B","","x-ray","1.54178","CuKα","","0.0621","0.0599","","","0.16","0.1617","","","","","","1.031","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7720012","11.7342","0.0003","14.6513","0.0004","15.2022","0.0004","64.452","0.002","75.527","0.002","87.51","0.002","2277.01","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","Mn1_PhONa","","- C45 H60 F5 Mn N2 O5 -","- C45 H58 F5 Mn N2 O4 -","- C90 H116 F10 Mn2 N4 O8 -","2","1","","Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald","Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions","Dalton Transactions","2026","","","","","10.1039/D5DT02844B","","x-ray","1.54178","CuKα","","0.0535","0.044","","","0.1141","0.1204","","","","","","1.041","","","","has coordinates","303288","2025-12-27","12:51:17",""
"7720013","17.5632","0.0004","21.6143","0.0004","23.7547","0.0005","105.262","0.001","95.103","0.001","113.618","0.001","7775.8","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","BP_Mn4_NaPz","","- C78 H102.5 F6 Mn2 N7.5 O5.5 P -","- C75 H97 F6 Mn2 N6 O5 P -","- C300 H388 F24 Mn8 N24 O20 P4 -","4","2","","Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald","Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions","Dalton Transactions","2026","","","","","10.1039/D5DT02844B","","x-ray","1.54178","CuKα","","0.101","0.0759","","","0.2048","0.2188","","","","","","1.046","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""
"7720014","13.8836","0.0002","19.2316","0.0003","23.6564","0.0004","102.862","0.001","98.722","0.001","97.824","0.001","5991.32","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","BP_Mn1_PhIO","","- C122 H161.5 F6 Mn3 N7.5 O11 P -","- C122 H161.5 F6 Mn3 N7.5 O11 P -","- C244 H323 F12 Mn6 N15 O22 P2 -","2","1","","Paul, Bhaswati; Dabare, Kusalvin; Bocarsly, Joshua D.; Mills, L. Reginald","Crystallographic Evidence of a Trinuclear (salen)Manganese(IV/III/IV)-μ-Oxo Formed during Catalytic C(sp3)–H Oxidation Reactions","Dalton Transactions","2026","","","","","10.1039/D5DT02844B","","x-ray","1.54178","CuKα","","0.0725","0.0649","","","0.1867","0.1942","","","","","","1.037","","","","has coordinates,has disorder","303288","2025-12-27","12:51:17",""