# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T16:32:12+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 = 8 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
"1559658","17.049","0.0003","14.1638","0.0002","25.7784","0.0004","90","","103.896","0.0018","90","","6042.76","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C41 H28 N4 -","- C41 H28 N4 -","- C328 H224 N32 -","8","4","","Ni, Fan; Huang, Chih-Wei; Tang, Yukun; Chen, Zhanxiang; Wu, Yaxun; Xia, Shengpeng; Cao, Xiaosong; Hsu, Jung-Hsien; Lee, Wei-Kai; Zheng, Kailu; Huang, Zhongyan; Wu, Chung-Chih; Yang, Chuluo","Integrating molecular rigidity and chirality into thermally activated delayed fluorescence emitters for highly efficient sky-blue and orange circularly polarized electroluminescence","Materials Horizons","2021","8","2","547","555","10.1039/D0MH01521K","","x-ray","1.54184","CuKα","","0.0519","0.0418","","","0.0948","0.101","","","","","","1.017","","","","has coordinates","262729","2021-03-05","02:28:17",""
"1559739","18.079","0.0007","30.1771","0.001","14.9963","0.0005","90","","90","","90","","8181.6","0.5","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 -","- C83 H71 F24 N4 O1.5 P4 -","- C332 H284 F96 N16 O6 P16 -","4","1","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.2408","0.2223","","","0.5377","0.5699","","","","","","2.177","","","","has coordinates,has disorder","262730","2021-03-05","02:28:29",""
"1559740","15.95929","0.00017","28.8471","0.0003","8.98775","0.00009","90","","90","","90","","4137.77","0.07","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C38 H40 F12 N2 O4 P2 -","- C38 H40 F12 N2 O4 P2 -","- C152 H160 F48 N8 O16 P8 -","4","0.5","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.0517","0.0484","","","0.1339","0.1373","","","","","","1.056","","","","has coordinates,has disorder","262730","2021-03-05","02:28:29",""
"1559741","37.188","0.002","9.2614","0.0005","10.1379","0.0005","90","","94.648","0.004","90","","3480.1","0.3","293","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 F12 N2 P2 -","- C38 H32 F12 N2 P2 -","- C152 H128 F48 N8 P8 -","4","0.5","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.0401","0.0336","","","0.0825","0.0879","","","","","","1.045","","","","has coordinates","262730","2021-03-05","02:28:29",""
"1560127","11.127","0.002","15.964","0.003","16.195","0.003","73.91","0.03","72.41","0.03","73.02","0.03","2565.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20.5 Cl0.5 O S2 -","- C33 H20.5 Cl0.5 O S2 -","- C132 H82 Cl2 O4 S8 -","4","2","","Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei","Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators","Materials Horizons","2021","8","4","1207","1215","10.1039/D0MH01679A","","","1.54178","CuKα","","0.1718","0.1582","","","0.5024","0.5178","","","","","","4.515","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1560128","10.5404","0.0004","10.8365","0.0004","13.1815","0.0007","92.262","0.004","108.487","0.004","97.789","0.003","1409.28","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H18 O S4 -","- C34 H17.5 O S4 -","- C68 H35 O2 S8 -","2","1","","Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei","Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators","Materials Horizons","2021","8","4","1207","1215","10.1039/D0MH01679A","","x-ray","1.54184","CuKα","","0.0523","0.0483","","","0.1215","0.1253","","","","","","1.042","","","","has coordinates,has disorder","264969","2021-05-05","09:08:53",""
"1560481","8.09943","0.00019","31.2756","0.0009","13.9351","0.0005","90","","98.024","0.003","90","","3495.4","0.18","294.1","0.3","294.1","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Cl2 N2 O2 -","- C43 H34 Cl2 N2 O2 -","- C172 H136 Cl8 N8 O8 -","4","1","","Huang, Quan; Guo, Qiang; Lan, Jingbo; Su, Rongchuan; Ran, You; Yang, Yudong; Bin, Zhengyang; You, Jingsong","Mechanically induced single-molecule white-light emission of excited-state intramolecular proton transfer (ESIPT) materials","Materials Horizons","2021","8","5","1499","1508","10.1039/D0MH02032J","","x-ray","1.54184","CuKα","","0.078","0.0662","","","0.1847","0.2029","","","","","","1.025","","","","has coordinates","266182","2021-06-05","19:33:43",""
"1560482","10.5918","0.0004","11.6746","0.0005","13.726","0.0005","103.723","0.003","94.505","0.003","107.201","0.004","1554.74","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H32 N2 O2 -","- C42 H32 N2 O2 -","- C84 H64 N4 O4 -","2","1","","Huang, Quan; Guo, Qiang; Lan, Jingbo; Su, Rongchuan; Ran, You; Yang, Yudong; Bin, Zhengyang; You, Jingsong","Mechanically induced single-molecule white-light emission of excited-state intramolecular proton transfer (ESIPT) materials","Materials Horizons","2021","8","5","1499","1508","10.1039/D0MH02032J","","x-ray","1.54184","CuKα","","0.0616","0.0568","","","0.149","0.1563","","","","","","1.024","","","","has coordinates","266182","2021-06-05","19:33:43",""
"1560987","19.052","0.007","7.75","0.003","8.289","0.003","90","","93.016","0.018","90","","1222.2","0.8","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl4 N10 O4 Pb -","- C12 H24 Cl4 N10 O4 Pb -","- C24 H48 Cl8 N20 O8 Pb2 -","2","0.5","","Lédée, Ferdinand; Audebert, Pierre; Trippé-Allard, Gaëlle; Galmiche, Laurent; Garrot, Damien; Marrot, Jérôme; Lauret, Jean-Sébastien; Deleporte, Emmanuelle; Katan, Claudine; Even, Jacky; Quarti, Claudio","Tetrazine molecules as an efficient electronic diversion channel in 2D organic‒inorganic perovskites","Materials Horizons","2021","8","5","1547","1560","10.1039/D0MH01904F","","","0.71073","MoKα","","0.0681","0.056","","","0.14","0.1468","","","","","","1.159","","","","has coordinates,has disorder","266183","2021-06-05","19:33:50",""
"1562419","9.6146","0.0005","16.2601","0.0008","18.3252","0.0009","110.783","0.005","90.71","0.004","101.904","0.004","2609.4","0.2","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 N O2 -","- C36 H29 N O2 -","- C144 H116 N4 O8 -","4","2","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","0.71073","MoKα","","0.2122","0.0656","","","0.1038","0.1542","","","","","","0.939","","","","has coordinates","268969","2021-09-06","12:42:20",""
"1562420","9.25345","0.00019","34.5061","0.0006","8.13039","0.00016","90","","106.251","0.002","90","","2492.31","0.09","296.82","0.11","296.82","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N O2 -","- C35 H27 N O2 -","- C140 H108 N4 O8 -","4","1","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","1.54184","CuKα","","0.0694","0.0623","","","0.1669","0.1755","","","","","","1.054","","","","has coordinates","268969","2021-09-06","12:42:21",""
"1562421","9.7712","0.00017","15.2854","0.0002","16.9918","0.0003","90","","100.166","0.0016","90","","2498","0.07","296.1","0.8","296.1","0.8","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","1","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","1.54184","CuKα","","0.0767","0.0665","","","0.1888","0.2083","","","","","","1.047","","","","has coordinates","268969","2021-09-06","12:42:21",""
"1562422","9.2312","0.0005","10.2169","0.0007","14.6844","0.0008","76.439","0.005","87.971","0.005","67.26","0.006","1239.33","0.14","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C35 H27 N O2 -","- C35 H27 N O2 -","- C70 H54 N2 O4 -","2","1","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","1.54184","CuKα","","0.0696","0.0584","","","0.1517","0.1664","","","","","","1.04","","","","has coordinates","268969","2021-09-06","12:42:21",""
"1563693","6.428","0.006","6.641","0.006","8.612","0.008","90","","108.07","0.02","90","","349.5","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","KYGeS4","","- Ge K S4 Y -","- Ge K S4 Y -","- Ge2 K2 S8 Y2 -","2","1","","Mei, Dajiang; Cao, Wangzhu; Wang, Naizheng; Jiang, Xingxing; Zhao, Jun; Wang, Weikang; Dang, Junhui; Zhang, Shiyan; Wu, Yuandong; Rao, Pinhua; Lin, Zheshuai","Breaking through the “3.0 eV wall” of energy band gap in mid-infrared nonlinear optical rare earth chalcogenides by charge-transfer engineering","Materials Horizons","2021","8","8","2330","2334","10.1039/D1MH00562F","","","0.71073","MoKα","","0.0158","0.0152","","","0.0339","0.0341","","","","","","0.907","","","","has coordinates","268968","2021-09-06","12:42:09",""
"1563907","5.696","0.004","5.696","0.004","9.387","0.004","90","","90","","120","","263.8","0.3","293","","293","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Ga1.069 O8 V3.931 -","- Ga1.069 O8 V3.931 -","- Ga2.138 O16 V7.862 -","2","0.166667","","Aguilar-Maldonado, Cintli; Mentré, Olivier; Tsirlin, Alexander A.; Ritter, Clemens; Missiul, Aleksandr; Fauth, Francois; Arévalo-López, Angel M.","Hybrid electrons in the trimerized GaV4O8","Materials Horizons","2021","8","8","2325","2329","10.1039/D1MH00390A","","x-ray","0.56087","AgKα","","0.0344","0.0238","","","0.0449","0.0485","","","","1.19","1.19","1.18","","","","has coordinates","268967","2021-09-06","12:41:54",""
"1564539","14.806","0.0007","15.4949","0.0007","17.248","0.0008","111.348","0.001","112.174","0.001","95.359","0.001","3288.5","0.3","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C40 H53 N O2 -","- C40 H53 N O2 -","- C160 H212 N4 O8 -","4","4","","Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong","Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivative.","Materials horizons","2021","8","10","2816","2822","10.1039/d1mh00956g","","x-ray","0.71073","MoKα","","0.0501","0.0411","","","0.101","0.1073","","","","","","1.014","","","","has coordinates,has disorder","269791","2021-10-06","16:23:04",""
"1564540","19.8231","0.0007","7.5996","0.0002","24.2836","0.0008","90","","112.008","0.004","90","","3391.7","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H53 N O2 -","- C40 H53 N O2 -","- C160 H212 N4 O8 -","4","1","","Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong","Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivative.","Materials horizons","2021","8","10","2816","2822","10.1039/d1mh00956g","","x-ray","1.54184","CuKα","","0.0768","0.0727","","","0.2107","0.2171","","","","","","1.085","","","","has coordinates","269791","2021-10-06","16:23:05",""
"1564910","16.3069","0.0011","16.3069","0.0011","52.852","0.004","90","","90","","90","","14054.1","1.7","150","2","150.15","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C24 H15 Br3 Fe3 O16 -","- C24 Br3 Fe3 O16 -","- C192 Br24 Fe24 O128 -","8","0.25","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.114","0.0843","","","0.248","0.2759","","","","","","1.047","","","","has coordinates,has disorder","271237","2021-12-07","04:03:49",""
"1564911","6.8403","0.0012","10.7142","0.0018","10.7928","0.0018","117.292","0.006","94.188","0.007","103.254","0.006","669.5","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H5 Fe O5 -","- C8 H5 Fe O5 -","- C16 H10 Fe2 O10 -","2","1","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0826","0.0599","","","0.1295","0.1366","","","","","","1.04","","","","has coordinates","271237","2021-12-07","04:03:52",""
"1564912","12.6391","0.0008","12.6391","0.0008","18.3551","0.0014","90","","90","","120","","2539.3","0.3","150","","150","","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C33 H33 B F4 Fe3 N3 O16 -","- C33 H24 B0.9999 F3.9996 Fe3 N3 O16 -","- C66 H48 B1.9998 F7.9992 Fe6 N6 O32 -","2","0.166667","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0562","0.0551","","","0.1384","0.139","","","","","","1.181","","","","has coordinates,has disorder","271237","2021-12-07","04:03:54",""
"1564913","19.4334","0.0019","7.2431","0.0007","8.7675","0.0009","90","","90","","90","","1234.1","0.2","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Fe N O5 -","- C11 H11 Fe N O5 -","- C44 H44 Fe4 N4 O20 -","4","0.5","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0357","0.0323","","","0.0939","0.0967","","","","","","1.119","","","","has coordinates,has disorder","271237","2021-12-07","04:03:54",""
"1564914","13.9105","0.0012","13.9105","0.0012","17.6608","0.0013","90","","90","","120","","2959.6","0.4","150","","150","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C24 H17 Fe3 O16 -","- C24 H12 Fe3 O16 -","- C48 H24 Fe6 O32 -","2","0.0833333","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0437","0.0391","","","0.1176","0.1239","","","","","","1.115","","","","has coordinates","271237","2021-12-07","04:03:54",""
"1564941","8.2902","0.0001","12.9328","0.0001","29.8623","0.0002","90","","90","","90","","3201.7","0.05","170.01","0.18","170.01","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 N4 O -","- C43 H32 N4 O -","- C172 H128 N16 O4 -","4","1","","Zhang, Da-Wei; Teng, Jin-Ming; Wang, Yin-Feng; Han, Xiao-Ni; Li, Meng; Chen, Chuan-Feng","D-π*-A type planar chiral TADF materials for efficient circularly polarized electroluminescence.","Materials horizons","2021","8","12","3417","3423","10.1039/d1mh01404h","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.081","0.0817","","","","","","1.031","","","","has coordinates","271238","2021-12-07","04:04:02",""
"1565090","19.2135","0.0003","19.2135","0.0003","12.0481","0.0002","90","","90","","120","","3851.79","0.11","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","K2Ba3Li6Ga28S49","","","- Ba3 Ga28 K2 Li6 S49 -","- Ba3.01 Ga28 K1.99 Li6 S49 -","- Ba6.02 Ga56 K3.98 Li12 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0178","0.0161","","","0.0333","0.0337","","","","","","1.057","","","","has coordinates","271239","2021-12-07","04:04:11",""
"1565091","19.306","0.0004","19.306","0.0004","12.0861","0.0004","90","","90","","120","","3901.23","0.17","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","Cs2Ba3Li6Ga28S49","","","- Ba3 Cs2 Ga28 Li6 S49 -","- Ba3.01 Cs1.99 Ga28 Li6 S49 -","- Ba6.02 Cs3.98 Ga56 Li12 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0275","0.0239","","","0.0546","0.0559","","","","","","1.036","","","","has coordinates","271239","2021-12-07","04:04:12",""
"1565092","19.2355","0.0004","19.2355","0.0004","12.0475","0.0004","90","","90","","120","","3860.42","0.17","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","Rb2Ba3Li6Ga28S49","","","- Ba3 Ga28 Li6 Rb2 S49 -","- Ba3.01 Ga28 Li6 Rb1.99 S49 -","- Ba6.02 Ga56 Li12 Rb3.98 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0206","0.018","","","0.0426","0.0435","","","","","","1.016","","","","has coordinates","271239","2021-12-07","04:04:12",""
"1565093","18.9032","0.0003","7.449","0.0001","38.5591","0.0005","90","","96.953","0.001","90","","5389.57","0.13","93","2","93","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene","","- C40 H26 -","- C40 H26 -","- C320 H208 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0411","0.035","","","0.0884","0.0921","","","","","","1.058","","","","has coordinates,has disorder","271236","2021-12-07","04:03:31",""
"1565094","18.8241","0.0003","7.5014","0.0002","38.7559","0.0008","90","","96.531","0.002","90","","5437.1","0.2","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.396 H27.188 O0.198 -","- C323.168 H217.504 O1.584 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0542","0.0425","","","0.1056","0.1129","","","","","","1.053","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1565095","18.8388","0.0004","7.4948","0.0002","38.7701","0.0009","90","","96.653","0.002","90","","5437.2","0.2","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.396 H27.188 O0.198 -","- C323.168 H217.504 O1.584 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0641","0.047","","","0.1132","0.1223","","","","","","1.053","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1565096","18.8286","0.0003","7.498","0.0001","38.7615","0.0006","90","","96.684","0.001","90","","5435.03","0.14","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.394 H27.182 O0.197 -","- C323.152 H217.456 O1.576 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0476","0.0401","","","0.0991","0.1034","","","","","","1.033","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""