# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-09-05T12:41:23+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Materials Chemistry B') AND volume = 5 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
"7236437","14.8761","0.0008","9.7832","0.0008","29.3191","0.0019","90","","102.336","0.006","90","","4168.5","0.5","293.15","","293.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C192 H200 N8 O32 -","8","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","x-ray","1.54184","CuKα","","0.0999","0.0735","","","0.1888","0.2221","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236438","32.5484","0.0012","32.5484","0.0012","8.2649","0.0003","90","","90","","120","","7582.8","0.5","110","","110","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C306 H486 N18 O72 -","18","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","x-ray","1.54184","CuKα","","0.0779","0.069","","","0.2017","0.2154","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236439","7.462","0.007","7.524","0.007","11.643","0.011","98.794","0.013","90.593","0.014","103.259","0.013","628.1","1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C24 H34 N2 O8 -","2","1","","Zhang, Wei; Wang, Na; Liu, Yan-Hong; Jiao, Shu-Yan; Zhang, Wei-Wei; Pu, Xue-Mei; Yu, Xiao-Qi","1,4-Dihydropyridines: discovery of minimal AIEEgens and their mitochondrial imaging applications","Journal of Materials Chemistry B","2017","5","3","464","","10.1039/C6TB02135B","","","0.71073","MoKα","","0.1632","0.0822","","","0.2039","0.2523","","","","","","0.979","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236440","17.1216","0.0004","17.444","0.0004","7.8768","0.0002","90","","90","","90","","2352.56","0.1","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Ca3K2(gal)2(H2O)7.5","","","- C7 H9.5 Ca1.5 K O8.75 -","- C7 H2 Ca1.5 K O8.75 -","- C56 H16 Ca12 K8 O70 -","8","1","","Hidalgo, Tania; Cooper, Lucy; Gorman, Martin; Lozano-Fernández, Tamara; Simón-Vázquez, Rosana; Mouchaham, Georges; Marrot, Jérome; Guillou, Nathalie; Serre, Christian; Fertey, Pierre; González-Fernández, África; Devic, Thomas; Horcajada, Patricia","Crystal structure dependent in vitro antioxidant activity of biocompatible calcium gallate MOFs","Journal of Materials Chemistry B","2017","5","15","2813","","10.1039/C6TB03101C","","","0.71073","MoKα","","0.0994","0.0548","","","0.1558","0.1844","","","","","","1.038","","","","has coordinates,has disorder","235513","2020-10-21","18:00:00",""
"7236441","17.3088","0.0016","17.4277","0.0015","7.8949","0.0007","90","","90","","90","","2381.5","0.4","297","2","297","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C7 H9 Ca1.5 K O8.5 -","- C7 H2 Ca1.5 K O8.5 -","- C56 H16 Ca12 K8 O68 -","8","1","","Hidalgo, Tania; Cooper, Lucy; Gorman, Martin; Lozano-Fernández, Tamara; Simón-Vázquez, Rosana; Mouchaham, Georges; Marrot, Jérome; Guillou, Nathalie; Serre, Christian; Fertey, Pierre; González-Fernández, África; Devic, Thomas; Horcajada, Patricia","Crystal structure dependent in vitro antioxidant activity of biocompatible calcium gallate MOFs","Journal of Materials Chemistry B","2017","5","15","2813","","10.1039/C6TB03101C","","","0.71073","MoKα","","0.0754","0.0665","","","0.2001","0.2084","","","","","","1.076","","","","has coordinates","235513","2020-10-21","18:00:00",""
"7236442","16.865","0.002","18.865","0.002","9.523","0.0012","90","","90","","90","","3029.8","0.6","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H26 Cl2 N4 O Zn -","- C33 H26 Cl2 N4 O Zn -","- C132 H104 Cl8 N16 O4 Zn4 -","4","1","","Su, Jian; Zhang, Jun; Tian, Xiaohe; Zhao, Meng; Song, Tao; Yu, Jiancan; Cui, Yuanjing; Qian, Guodong; Zhong, Hong; Luo, Lei; Zhang, Yujin; Wang, Chuankui; Li, Shengli; Yang, Jiaxiang; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of multifunctional coordination polymers based on terpyridine and zinc halide: second-harmonic generation and two-photon absorption properties and intracellular imaging","Journal of Materials Chemistry B","2017","5","27","5458","","10.1039/C6TB03321K","","","0.71073","MoKα","","0.1021","0.05","","","0.1105","0.1274","","","","","","0.987","","","","has coordinates","235515","2020-10-21","18:00:00",""
"7236683","6.7463","0.0004","21.3406","0.0011","7.0237","0.0005","90","","103.448","0.006","90","","983.48","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 S -","- C11 H9 N O3 S -","- C44 H36 N4 O12 S4 -","4","1","","Debnath, Mintu; Sasmal, Supriya; Haldar, Debasish","Fabrication of egg shell-like nanovesicles from a thiocoumarin-based ε-amino ester: a potential carrier","Journal of Materials Chemistry B","2017","5","27","5450","","10.1039/C7TB00025A","","x-ray","0.71073","MoKα","","0.0577","0.0495","","","0.1258","0.132","","","","","","1.105","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236684","14.468","0.004","13.931","0.004","22.74","0.007","90","","90","","90","","4583","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cd I2 N8 -","- C18 H20 Cd I2 N8 -","- C144 H160 Cd8 I16 N64 -","8","1","","Cheng, Yue; Wu, Jie; Guo, Chao; Li, Xin-Ge; Ding, Bin; Li, Yan","A facile water-stable MOF-based “off‒on” fluorescent switch for label-free detection of dopamine in biological fluid","Journal of Materials Chemistry B","2017","5","13","2524","","10.1039/C7TB00099E","","","0.71073","MoKα","","0.0229","0.0177","","","0.0368","0.0392","","","","","","1.07","","","","has coordinates","236423","2020-10-21","18:00:00",""
"7236685","34.0369","0.0015","9.7317","0.0004","22.916","0.0008","90","","90.574","0.003","90","","7590.2","0.5","99.95","0.18","99.95","0.18","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C88 H98 N4 O3 -","- C88 H74 N4 O3 -","- C352 H296 N16 O12 -","4","0.5","","Zhao, Zheng; Su, Huifang; Zhang, Pengfei; Cai, Yuanjing; Kwok, Ryan T. K.; Chen, Yuncong; He, Zikai; Gu, Xinggui; He, Xuewen; Sung, Herman H. Y.; Willimas, Ian D.; Lam, Jacky W. Y.; Zhang, Zhenfeng; Tang, Ben Zhong","Polyyne bridged AIE luminogens with red emission: design, synthesis, properties and applications","Journal of Materials Chemistry B","2017","5","8","1650","","10.1039/C7TB00112F","","x-ray","0.71073","MoKα","","0.1168","0.0742","","","0.1722","0.1941","","","","","","1.001","","","","has coordinates,has disorder","236424","2020-10-21","18:00:00",""
"7236686","22.854","0.003","9.0152","0.0013","13.197","0.002","90","","96.266","0.003","90","","2702.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N4 O3 -","- C33 H24 N4 O3 -","- C132 H96 N16 O12 -","4","1","","Han, Xie; Zhang, Bibo; Chen, Jianhua; Liu, Sheng Hua; Tan, Chunyan; Liu, Haiyang; Lang, Matthew J.; Tan, Ying; Liu, Xiaogang; Yin, Jun","Modulating aggregation-induced emission via a non-conjugated linkage of fluorophores to tetraphenylethenes","Journal of Materials Chemistry B","2017","5","26","5096","","10.1039/C7TB00623C","","","0.71073","MoKα","","0.107","0.0476","","","0.1157","0.1533","","","","","","1.038","","","","has coordinates","236426","2020-10-21","18:00:00",""
"7236687","9.805","0.005","39.34","0.02","9.106","0.005","90","","115.444","0.008","90","","3172","3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H34 N2 O2 S -","- C39 H34 N2 O2 S -","- C156 H136 N8 O8 S4 -","4","1","","Han, Xie; Zhang, Bibo; Chen, Jianhua; Liu, Sheng Hua; Tan, Chunyan; Liu, Haiyang; Lang, Matthew J.; Tan, Ying; Liu, Xiaogang; Yin, Jun","Modulating aggregation-induced emission via a non-conjugated linkage of fluorophores to tetraphenylethenes","Journal of Materials Chemistry B","2017","5","26","5096","","10.1039/C7TB00623C","","","0.71073","MoKα","","0.1189","0.0608","","","0.1325","0.1594","","","","","","0.998","","","","has coordinates,has disorder","301866","2025-08-22","21:38:32",""
"7236688","7.2991","0.0012","18.472","0.003","12.541","0.002","90","","90","","90","","1690.9","0.5","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C72 H76 I4 N8 -","4","0.5","","Zhu, Yingzhong; Du, Wei; Zhang, Mingzhu; Xu, Ying; Song, Leilei; Zhang, Qiong; Tian, Xiaohe; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of water-soluble A‒π‒A′ typological indolium derivatives with two-photon properties for rapidly detecting HSO3−/SO32−in living cells","Journal of Materials Chemistry B","2017","5","21","3862","","10.1039/C7TB00726D","","","0.71073","MoKα","","0.021","0.0188","","","0.0418","0.043","","","","","","1.061","","","","has coordinates","236428","2020-10-21","18:00:00",""
"7236689","12.632","0.005","6.968","0.005","24.753","0.005","90","0.005","96.016","0.005","90","0.005","2166.8","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 I2 N2 O -","- C22 H23 I2 N2 O -","- C88 H92 I8 N8 O4 -","4","1","","Zhu, Yingzhong; Du, Wei; Zhang, Mingzhu; Xu, Ying; Song, Leilei; Zhang, Qiong; Tian, Xiaohe; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of water-soluble A‒π‒A′ typological indolium derivatives with two-photon properties for rapidly detecting HSO3−/SO32−in living cells","Journal of Materials Chemistry B","2017","5","21","3862","","10.1039/C7TB00726D","","","0.71069","MoKα","","0.0304","0.0289","","","0.0846","0.087","","","","","","1.047","","","","has coordinates","236428","2020-10-21","18:00:00",""
"7236690","9.6327","0.0004","9.823","0.0004","23.0384","0.0009","83.222","0.001","79.915","0.001","79.361","0.001","2101.08","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H29 F10 Ir N5 P -","- C48 H29 F10 Ir N5 P -","- C96 H58 F20 Ir2 N10 P2 -","2","1","","Qiu, Kangqiang; Ouyang, Miao; Liu, Yukang; Huang, Huaiyi; Liu, Chaofeng; Chen, Yu; Ji, Liangnian; Chao, Hui","Two-photon photodynamic ablation of tumor cells by mitochondria-targeted iridium(iii) complexes in aggregate states","Journal of Materials Chemistry B","2017","5","27","5488","","10.1039/C7TB00731K","","","0.71073","MoKα","","0.0382","0.0301","","","0.0515","0.0533","","","","","","1.06","","","","has coordinates","236430","2020-10-21","18:00:00",""
"7236691","9.6803","0.0005","10.024","0.0005","22.948","0.0013","90.034","0.002","100.758","0.002","101.52","0.002","2141.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H33 F6 Ir N5 P -","- C48 H33 F6 Ir N5 P -","- C96 H66 F12 Ir2 N10 P2 -","2","1","","Qiu, Kangqiang; Ouyang, Miao; Liu, Yukang; Huang, Huaiyi; Liu, Chaofeng; Chen, Yu; Ji, Liangnian; Chao, Hui","Two-photon photodynamic ablation of tumor cells by mitochondria-targeted iridium(iii) complexes in aggregate states","Journal of Materials Chemistry B","2017","5","27","5488","","10.1039/C7TB00731K","","","0.71073","MoKα","","0.0292","0.0238","","","0.048","0.0493","","","","","","1.053","","","","has coordinates","236430","2020-10-21","18:00:00",""
"7236692","14.289","0.005","14.212","0.005","17.032","0.005","90","0.005","109.537","0.005","90","0.005","3259.6","1.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Cl2 N4 O2 Zn -","- C37 H32 Cl2 N4 O2 Zn -","- C148 H128 Cl8 N16 O8 Zn4 -","4","1","","Tang, Yiwen; Kong, Ming; Tian, Xiaohe; Wang, Jinghang; Xie, Qingyuan; Wang, Aidong; Zhang, Qiong; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of terpyridine-based zinc(ii) complexes assembled for third-order nonlinear optical responses in the near-infrared region and recognizing lipid membranes","Journal of Materials Chemistry B","2017","5","31","6348","","10.1039/C7TB01063J","","","0.71069","MoKα","","0.0388","0.0303","","","0.0741","0.0786","","","","","","1.052","","","","has coordinates","236432","2020-10-21","18:00:00",""
"7236693","14.164","0.005","14.345","0.005","17.368","0.005","90","0.005","108.597","0.005","90","0.005","3344.6","1.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br2 N4 O2 Zn -","- C37 H32 Br2 N4 O2 Zn -","- C148 H128 Br8 N16 O8 Zn4 -","4","1","","Tang, Yiwen; Kong, Ming; Tian, Xiaohe; Wang, Jinghang; Xie, Qingyuan; Wang, Aidong; Zhang, Qiong; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of terpyridine-based zinc(ii) complexes assembled for third-order nonlinear optical responses in the near-infrared region and recognizing lipid membranes","Journal of Materials Chemistry B","2017","5","31","6348","","10.1039/C7TB01063J","","","0.71069","MoKα","","0.0748","0.0387","","","0.0696","0.0809","","","","","","1.015","","","","has coordinates","236432","2020-10-21","18:00:00",""
"7236694","14.12","0.005","14.552","0.005","17.692","0.005","90","0.005","107.286","0.005","90","0.005","3471","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 I2 N4 O2 Zn -","- C37 H32 I2 N4 O2 Zn -","- C148 H128 I8 N16 O8 Zn4 -","4","1","","Tang, Yiwen; Kong, Ming; Tian, Xiaohe; Wang, Jinghang; Xie, Qingyuan; Wang, Aidong; Zhang, Qiong; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A series of terpyridine-based zinc(ii) complexes assembled for third-order nonlinear optical responses in the near-infrared region and recognizing lipid membranes","Journal of Materials Chemistry B","2017","5","31","6348","","10.1039/C7TB01063J","","","0.71069","MoKα","","0.0476","0.0366","","","0.1287","0.1402","","","","","","1.068","","","","has coordinates","236432","2020-10-21","18:00:00",""
"7236695","9.9937","0.0002","9.9937","0.0002","64.144","0.004","90","","90","","90","","6406.3","0.4","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C56 H86 N8 O14 -","- C56 H86 N8 O14 -","- C224 H344 N32 O56 -","4","0.5","","Podder, Debasish; Bera, Santu; Debnath, Mintu; Das, Tanmay; Haldar, Debasish","Formation of toroids by self-assembly of an α–α corner mimetic: supramolecular cyclization","Journal of Materials Chemistry B","2017","5","36","7583","","10.1039/C7TB01711A","","x-ray","0.71073","MoKα","","0.0873","0.066","","","0.1601","0.1727","","","","","","1.091","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236696","13.4121","0.0018","9.7801","0.0012","20.066","0.003","90","","108.949","0.014","90","","2489.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TPE-HBT","","- C33 H23 N O S -","- C33 H23 N O S -","- C132 H92 N4 O4 S4 -","4","1","","Chen, Qing; Jia, Chunman; Zhang, Yinfeng; Du, Wei; Wang, Yile; Huang, Yan; Yang, Qiuyun; Zhang, Qi","A novel fluorophore based on the coupling of AIE and ESIPT mechanisms and its application in biothiol imaging","Journal of Materials Chemistry B","2017","5","37","7736","","10.1039/C7TB02076G","","","0.7107","MoKα","","0.1174","0.0599","","","0.1284","0.1655","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:32",""