# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T12:30:40+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Materials Horizons') AND volume = 6 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
"1550015","17.533","0.004","17.533","0.004","11.484","0.003","90","","90","","120","","3057.3","1.3","150","2","150","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C16 F6 N4 -","- C16 F6 N4 -","- C144 F54 N36 -","9","0.5","","Li, Jing; Duchemin, Ivan; Roscioni, Otello Maria; Friederich, Pascal; Anderson, Marie; Da Como, Enrico; Kociok-Köhn, Gabriele; Wenzel, Wolfgang; Zannoni, Claudio; Beljonne, David; Blase, Xavier; D'Avino, Gabriele","Host dependence of the electron affinity of molecular dopants","Materials Horizons","2019","6","1","107","","10.1039/C8MH00921J","","","1.54184","CuKα","","0.0729","0.0585","","","0.1643","0.1808","","","","","","1.062","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550032","13.983","0.0009","16.9424","0.0011","19.1273","0.0011","77.146","0.001","74.236","0.001","75.997","0.002","4171.3","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","KAZn","","- C34 H13 F28 N4 O Zn -","- C34 H14 F28 N4 O Zn -","- C136 H56 F112 N16 O4 Zn4 -","4","2","","Sadhu, Subha; Aqueche, Kyler; Buffeteau, Thierry; Vincent, Jean-Marc; Hirsch, Lionel; Bassani, Dario M.","Unexpected surface interactions between fluorocarbons and hybrid organic inorganic perovskites evidenced by PM-IRRAS and their application towards tuning the surface potential","Materials Horizons","2019","6","1","192","","10.1039/C8MH01119B","","","0.71073","MoKα","","0.0553","0.0429","","","0.1208","0.1271","","","","","","1.039","","","","has coordinates,has disorder","301780","2025-08-18","21:43:21",""
"1550287","12.0936","0.0016","12.9722","0.0013","13.334","0.002","90","","97.167","0.014","90","","2075.5","0.5","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C96 H108 N4 O8 -","4","1","","Situ, Bo; Gao, Meng; He, Xiaojing; Li, Shiwu; He, Bairong; Guo, Fengxia; Kang, Chunmin; Liu, Shan; Yang, Lei; Jiang, Meijuan; Hu, Yanwei; Tang, Ben Zhong; Zheng, Lei","A two-photon AIEgen for simultaneous dual-color imaging of atherosclerotic plaques","Materials Horizons","2019","6","3","546","","10.1039/C8MH01293H","","","0.71073","MoKα","","0.0878","0.0559","","","0.1399","0.1634","","","","","","1.042","","","","has coordinates,has disorder","301780","2025-08-18","21:43:22",""
"1550437","9.1366","0.0003","14.1095","0.0003","20.9641","0.0007","90","","90.052","0.003","90","","2702.54","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 La N9 O9 -","- C26 H18 La N9 O9 -","- C104 H72 La4 N36 O36 -","4","1","","Gajarushi, Ashwini S.; Wasim, Mohd; Nabi, Rizwan; Kancharlapalli, Srinivasu; Rao, V. Ramgopal; Rajaraman, Gopalan; Subramaniam, Chandramouli; Shanmugam, Maheswaran","Lanthanide complexes as molecular dopants for realizing air-stable n-type graphene logic inverters with symmetric transconductance","Materials Horizons","2019","6","4","743","","10.1039/C8MH01241E","","","0.71073","MoKα","","0.0337","0.0275","","","0.069","0.0718","","","","","","1.064","","","","has coordinates","301780","2025-08-18","21:43:22",""
"1550438","15.0921","0.0016","10.8118","0.0008","19.5232","0.0017","90","","118.32","0.013","90","","2804.4","0.6","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Ce N9 O9 -","- C26 H18 Ce N9 O9 -","- C104 H72 Ce4 N36 O36 -","4","0.5","","Gajarushi, Ashwini S.; Wasim, Mohd; Nabi, Rizwan; Kancharlapalli, Srinivasu; Rao, V. Ramgopal; Rajaraman, Gopalan; Subramaniam, Chandramouli; Shanmugam, Maheswaran","Lanthanide complexes as molecular dopants for realizing air-stable n-type graphene logic inverters with symmetric transconductance","Materials Horizons","2019","6","4","743","","10.1039/C8MH01241E","","","0.71073","MoKα","","0.0708","0.0503","","","0.1067","0.1187","","","","","","1.081","","","","has coordinates,has disorder","225362","2020-10-21","18:00:00",""
"1550727","10.9667","0.0005","12.303","0.0005","20.3131","0.0012","90","","90","","90","","2740.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C144 H96 N8 O8 S4 -","4","1","","Tian, Di; Zhu, Zece; Xu, Li; Cong, Hengjiang; Zhu, Jintao","Intramolecular electronic coupling for persistent room-temperature luminescence for smartphone based time-gated fingerprint detection","Materials Horizons","2019","6","6","1215","","10.1039/C9MH00130A","","","0.71073","MoKα","","0.0663","0.0391","","","0.0884","0.102","","","","","","1.01","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550728","15.1171","0.0003","10.6355","0.0003","39.0096","0.0009","90","","94.405","0.002","90","","6253.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C288 H192 N16 O16 S8 -","8","2","","Tian, Di; Zhu, Zece; Xu, Li; Cong, Hengjiang; Zhu, Jintao","Intramolecular electronic coupling for persistent room-temperature luminescence for smartphone based time-gated fingerprint detection","Materials Horizons","2019","6","6","1215","","10.1039/C9MH00130A","","","1.54178","CuKα","","0.1469","0.1248","","","0.3187","0.3354","","","","","","1.273","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550807","8.2739","0.0012","20.681","0.004","8.5913","0.0011","90","","104.937","0.012","90","","1420.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","N-(4-cyanophenyl)-carbazole","N-(4-cyanophenyl)-carbazole","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","","0.71073","MoKα","","0.077","0.043","","","0.095","0.115","","","","","","1.046","","","","has coordinates","225363","2020-10-21","18:00:00",""
"1550808","16.718","0.004","4.726","0.001","19.164","0.004","90","","95.969","0.007","90","","1505.9","0.6","287","2","287.12","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DCNPhCz","5-(9H-carbazol-9-yl)isophthalonitrile","","- C20 H11 N3 -","- C20 H11 N3 -","- C80 H44 N12 -","4","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","","0.71073","MoKα","","0.1982","0.0835","","","0.1315","0.171","","","","","","1.03","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550809","10.231","0.003","16.032","0.004","8.461","0.002","90","","93.9","0.006","90","","1384.6","0.6","100","2","100.02","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","mPhCzN","3-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","x-ray","0.71073","MoKα","","0.0996","0.0602","","","0.1347","0.1576","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550810","41.374","0.007","3.9588","0.0007","17.309","0.003","90","","111.876","0.004","90","","2630.9","0.8","100","2","99.99","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","MCNPhCz","3-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","x-ray","0.71073","MoKα","","0.0715","0.0527","","","0.1353","0.1474","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1550811","14.753","0.003","24.611","0.004","8.0508","0.0013","90","","90","","90","","2923.1","0.9","294","2","294.54","","","","","","","","","3","I b a 2","I 2 -2c","45","scnphcz","2-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei","Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering","Materials Horizons","2019","6","6","1259","","10.1039/C9MH00220K","","","0.71073","MoKα","","0.099","0.0612","","","0.1327","0.1511","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551202","9.8763","0.0006","13.0177","0.0009","10.6775","0.0007","90","","100.843","0.0019","90","","1348.26","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Magnesium isonicotinate","'Magnesium 4-pyridine carboxylate'","","- C27 H23 Mg2 N5 O9 -","- C27 H23 Mg2 N5 O9 -","- C54 H46 Mg4 N10 O18 -","2","1","","Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan","Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility","Materials Horizons","2019","6","9","1883","","10.1039/C9MH00133F","","","1.54178","CuKα","","0.0514","0.0502","","","0.1362","0.138","","","","","","1.044","","","","has coordinates","225365","2020-10-21","18:00:00",""
"1551203","11.4487","0.0008","12.36","0.0008","12.3919","0.0008","90","","117.201","0.003","90","","1559.6","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper Pyridine carboxylate","'Copper Pyridine carboxylate'","","- C16 H16 Cu N2 O5 -","- C16 H16 Cu N2 O5 -","- C64 H64 Cu4 N8 O20 -","4","1","","Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan","Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility","Materials Horizons","2019","6","9","1883","","10.1039/C9MH00133F","","","1.54178","CuKα","","0.1293","0.0757","","","0.1785","0.2193","","","","","","0.97","","","","has coordinates","225365","2020-10-21","18:00:00",""
"1551873","21.7258","0.002","13.1123","0.0011","17.0196","0.0015","90","","90","","90","","4848.5","0.7","150","2","150","2","","","","","","","synthesis as described","7","P c c n","-P 2ab 2ac","56","","(NH4)2[Mo6Br8(NCS)6].4(C3H6O)","","- C18 H32 Br8 Mo6 N8 O4 S6 -","- C18 H24 Br8 Mo6 N8 O4 S6 -","- C72 H96 Br32 Mo24 N32 O16 S24 -","4","0.5","","Kepenekian, Mikaël; Molard, Yann; Costuas, Karine; Lemoine, Pierric; Gautier, Régis; Ababou Girard, Soraya; Fabre, Bruno; Turban, Pascal; Cordier, Stéphane","Red-NIR luminescence of Mo6 monolayered assembly directly anchored on Au(001)","Materials Horizons","2019","6","9","1828","","10.1039/C9MH00724E","","x-ray","0.71073","MoKα","","0.1769","0.1073","","","0.2389","0.2757","","","","","","1.117","","","","has coordinates","225366","2020-10-21","18:00:00",""