# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T10:37:41+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 = 11 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
"1570214","13.6447","0.0015","16.79","0.002","18.809","0.002","111.312","0.004","99.798","0.003","90.068","0.004","3946.5","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H50 Au Cl2 N3 -","- C45 H50 Au Cl2 N3 -","- C180 H200 Au4 Cl8 N12 -","4","2","","Au-Yeung, Cathay Chai; Leung, Ming-Yi; Lai, Shiu-Lun; Cheng, Shun-Cheung; Li, Lok-Kwan; Tang, Man-Chung; Kwok, Wing-Kei; Ko, Chi-Chiu; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Thermally activated delayed fluorescence tetradentate ligand-containing gold(III) complexes with preferential molecular orientation and their application in organic light-emitting devices.","Materials horizons","2024","11","1","151","162","10.1039/d3mh00910f","","x-ray","0.71073","MoKα","","0.065","0.0428","","","0.0888","0.0999","","","","","","1.083","","","","has coordinates","289651","2024-02-04","12:33:33",""
"1570270","9.4947","0.0002","15.7979","0.0003","14.4936","0.0003","90","","93.65","0.002","90","","2169.58","0.08","300","0.1","300","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Cu2 N6 O15 -","- C38 H42 Cl2 Cu2 N6 O15 -","- C76 H84 Cl4 Cu4 N12 O30 -","2","1","","Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran","Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal.","Materials horizons","2024","11","2","454","459","10.1039/d3mh01336g","","x-ray","0.71073","MoKα","","0.0451","0.0382","","","0.0905","0.0955","","","","","","1.027","","","","has coordinates","289652","2024-02-04","12:33:43",""
"1570271","9.3868","0.0002","15.5499","0.0003","14.4461","0.0002","90","","93.944","0.002","90","","2103.61","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Cu2 N6 O15 -","- C38 H42 Cl2 Cu2 N6 O15 -","- C76 H84 Cl4 Cu4 N12 O30 -","2","1","","Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran","Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal.","Materials horizons","2024","11","2","454","459","10.1039/d3mh01336g","","x-ray","0.71073","MoKα","","0.0325","0.0285","","","0.0609","0.0629","","","","","","1.029","","","","has coordinates","289652","2024-02-04","12:33:43",""
"1570792","12.718","0.0005","8.3994","0.0003","5.375","0.0002","90","","90","","90","","574.18","0.04","281.7","0.2","281.7","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Lu Na O6 Se2 -","- Lu Na O6 Se2 -","- Lu4 Na4 O24 Se8 -","4","1","","Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","A UV non-hydrogen pure selenite nonlinear optical material for achieving balanced properties through framework-optimized structural transformation.","Materials horizons","2024","11","7","1704","1709","10.1039/d3mh01790g","","x-ray","0.71073","MoKα","","0.0214","0.02","","","0.0416","0.0419","","","","","","1","","","","has coordinates","291073","2024-04-05","00:19:10",""
"1571018","12.18","0.002","20.741","0.003","16.353","0.003","90","","110.644","0.003","90","","3865.9","1.1","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Cl4 P2 Zn -","- C40 H40 Cl4 P2 Zn -","- C160 H160 Cl16 P8 Zn4 -","4","1","","Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo","Realizing efficient broadband near-infrared emission and multimode photoluminescence switching <i>via</i> coordination structure modulation in Sb<sup>3+</sup>-doped 0D organic metal chlorides.","Materials horizons","2024","11","9","2230","2241","10.1039/d3mh01962d","","","0.71073","MoKα","","0.0662","0.0426","","","0.078","0.0874","","","","","","0.966","","","","has coordinates","293299","2024-07-05","18:12:59",""
"1571019","12.2339","0.0014","21.044","0.002","16.5713","0.0019","90","","112.272","0.002","90","","3948","0.7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Cd Cl4 P2 -","- C40 H40 Cd Cl4 P2 -","- C160 H160 Cd4 Cl16 P8 -","4","1","","Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo","Realizing efficient broadband near-infrared emission and multimode photoluminescence switching <i>via</i> coordination structure modulation in Sb<sup>3+</sup>-doped 0D organic metal chlorides.","Materials horizons","2024","11","9","2230","2241","10.1039/d3mh01962d","","","0.71073","MoKα","","0.0377","0.0313","","","0.0741","0.0771","","","","","","1.059","","","","has coordinates","293299","2024-07-05","18:12:59",""
"1571163","20.052","0.0008","20.1859","0.0008","24.629","0.0009","94.177","0.002","107.105","0.002","103.932","0.002","9136.2","0.6","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C129.23 H188.77 Cl4.69 Cu29 O3 P4 S14.31 -","- C128.388 H186.872 Cl4.692 Cu29 O2.3667 P4 S14.0969 -","- C256.775 H373.744 Cl9.384 Cu58 O4.7334 P8 S28.1938 -","2","1","","Ghosh, Atanu; Sagadevan, Arunachalam; Murugesan, Kathiravan; Nastase, Stefan Adrian F.; Maity, Bholanath; Bodiuzzaman, Mohammad; Shkurenko, Aleksander; Hedhili, Mohamed Nejib; Yin, Jun; Mohammed, Omar F.; Eddaoudi, Mohamed; Cavallo, Luigi; Rueping, Magnus; Bakr, Osman M.","Multiple neighboring active sites of an atomically precise copper nanocluster catalyst for efficient bond-forming reactions.","Materials horizons","2024","11","10","2494","2505","10.1039/d4mh00098f","","","1.54178","CuKα","","0.064","0.0551","","","0.1582","0.17","","","","","","1.049","","","","has coordinates,has disorder","293297","2024-07-05","18:12:32",""
"1571437","21.9901","0.0003","11.7699","0.0002","15.3428","0.0002","90","","106.646","0.001","90","","3804.63","0.1","149.95","0.15","149.95","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cl2 N4 Zn -","- C46 H36 Cl2 N4 Zn -","- C184 H144 Cl8 N16 Zn4 -","4","1","","Shonde, Tunde Blessed; Liu, He; Olasupo, Oluwadara Joshua; Bouchard, Alexander; Bouchard, Sara; Franklin, Annaliese; Lin, Xinsong; Stand, Luis M.; Ma, Biwu","Aggregation-induced emission organic metal halide complex for X-ray scintillation.","Materials horizons","2024","11","13","3076","3081","10.1039/d4mh00142g","","x-ray","1.54184","CuKα","","0.0497","0.0471","","","0.1334","0.1378","","","","","","1.085","","","","has coordinates","293298","2024-07-05","18:12:45",""
"1571464","15.4846","0.0003","15.4846","0.0003","12.3372","0.0004","90","","90","","90","","2958.13","0.13","114","3","110","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_110K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0247","0.0241","","","0.0631","0.0638","","","","","","1.128","","","","has coordinates","293946","2024-08-05","20:09:41",""
"1571465","15.4791","0.0002","15.4791","0.0002","12.3348","0.0003","90","","90","","90","","2955.45","0.09","200.06","0.1","200","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_200K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0225","0.0217","","","0.0623","0.0626","","","","","","1.167","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571466","15.4819","0.0002","15.4819","0.0002","12.3361","0.0003","90","","90","","90","","2956.83","0.09","150.01","0.1","150","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_150K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.022","0.0214","","","0.0599","0.0602","","","","","","1.158","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571467","15.4763","0.0003","15.4763","0.0003","12.3336","0.0003","90","","90","","90","","2954.09","0.11","250","0.1","250","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_250K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0186","0.018","","","0.0512","0.0515","","","","","","1.21","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571468","15.4711","0.0002","15.4711","0.0002","12.331","0.0003","90","","90","","90","","2951.49","0.09","350","0.1","350","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_350K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.025","0.0219","","","0.0552","0.0565","","","","","","1.111","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571469","15.4732","0.00014","15.4732","0.00014","12.3324","0.00017","90","","90","","90","","2952.62","0.06","300.1","0.18","300.1","0.18","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_300K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","x-ray","1.54184","CuKα","","0.0226","0.0217","","","0.062","0.0624","","","","","","1.163","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571729","14.2142","0.0008","14.3406","0.0007","19.3048","0.0009","97.833","0.002","93.512","0.002","99.176","0.002","3834.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C203 H130 Cl8 N16 O5 -","- C196 H116 N16 O4 -","- C196 H116 N16 O4 -","1","0.5","","Xie, Feng-Ming; Wang, Han-Yang; Li, Hao-Ze; Zhang, Kai; Shen, Yang; Zou, Jianhua; Li, Yan-Qing; Tang, Jian-Xin","Intramolecular exciplex featuring a bis-sp<sup>3</sup> C-locked acceptor-donor-acceptor sandwich.","Materials horizons","2024","11","16","3921","3927","10.1039/d4mh00400k","","","0.71073","MoKα","","0.1103","0.083","","","0.1789","0.1942","","","","","","1.0895","","","","has coordinates","294647","2024-09-06","02:11:03",""
"1571770","32.311","0.0013","11.2344","0.0005","22.7693","0.0009","90","","119.706","0.001","90","","7178.9","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N6 -","- C44 H32 N6 -","- C352 H256 N48 -","8","1","","Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi","Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.","Materials horizons","2024","11","16","3928","3934","10.1039/d4mh00441h","","","0.71073","MoKα","","0.0961","0.0545","","","0.1248","0.1468","","","","","","1.027","","","","has coordinates","294646","2024-09-06","02:10:34",""
"1571771","8.9279","0.0004","10.6851","0.0004","35.7149","0.0014","90","","94.171","0.001","90","","3398","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 N6 -","- C44 H32 N6 -","- C176 H128 N24 -","4","1","","Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi","Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.","Materials horizons","2024","11","16","3928","3934","10.1039/d4mh00441h","","","0.71073","MoKα","","0.1136","0.0602","","","0.129","0.1566","","","","","","1.047","","","","has coordinates","294646","2024-09-06","02:10:35",""
"1571797","9.431","0.003","11.607","0.003","13.247","0.004","87.189","0.009","78.325","0.009","74.102","0.01","1365.7","0.7","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 I N O3 S -","- C32 H30 I N O3 S -","- C64 H60 I2 N2 O6 S2 -","2","1","","Liu, Yang; Gong, Xiao-Ting; Wang, Kang-Nan; He, Simeng; Wang, Yumeng; Lin, Qiaowen; Liu, Zhiqiang; Yu, Xiaoqiang; Liu, Bin","Dual-targeted fluorescent probe for tracking polarity and phase transition processes during lipophagy.","Materials horizons","2024","11","14","3287","3297","10.1039/d4mh00190g","","","1.54178","CuKα","","0.0325","0.0317","","","0.0865","0.0871","","","","","","1.043","","","","has coordinates,has disorder","293947","2024-08-05","20:09:58",""
"1571933","25.733","0.002","25.06","0.002","20.5893","0.0016","90","","107.794","0.003","90","","12642.2","1.7","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C106 H122 F4 N12 O2 S6 -","- C106 H122 F4 N12 O2 S6 -","- C424 H488 F16 N48 O8 S24 -","4","0.5","","Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Bi, Xingqi; Zhong, Cheng; Li, Yulu; Long, Yuhong; Tu, Kaihuai; Zhang, Weichao; Yang, Ke; Zhou, Huiqiong; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng","The anti-correlation effect of alkyl chain size on the photovoltaic performance of centrally extended non-fullerene acceptors.","Materials horizons","2024","11","18","4413","4423","10.1039/d4mh00699b","","x-ray","1.34139","GaKα","","0.2404","0.1854","","","0.4187","0.45","","","","","","1.057","","","","has coordinates","295352","2024-10-06","09:32:56",""
"1571934","20.6737","0.0013","21.441","0.0015","25.983","0.0019","90","","107.449","0.004","90","","10987.4","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CH-HP","","- C96 H102 F4 N12 O2 S6 -","- C96 H102 F4 N12 O2 S6 -","- C384 H408 F16 N48 O8 S24 -","4","1","","Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Bi, Xingqi; Zhong, Cheng; Li, Yulu; Long, Yuhong; Tu, Kaihuai; Zhang, Weichao; Yang, Ke; Zhou, Huiqiong; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng","The anti-correlation effect of alkyl chain size on the photovoltaic performance of centrally extended non-fullerene acceptors.","Materials horizons","2024","11","18","4413","4423","10.1039/d4mh00699b","","","1.54178","CuKα","","0.2641","0.1561","","","0.3549","0.4147","","","","","","1.013","","","","has coordinates","295352","2024-10-06","09:32:58",""
"1571963","9.2242","0.0002","34.8178","0.0007","6.4291","0.0001","90","","92.597","0.002","90","","2062.69","0.07","200","2","200.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N16 O10 -","- C12 H20 N16 O10 -","- C48 H80 N64 O40 -","4","1","","Li, Yanqiang; Zhou, Yang; Ahmed, Belal; Xu, Qianting; Huang, Weiqi; Song, Yipeng; Song, Xianyu; Chen, Bin; Luo, Junhua; Zhao, Sangen","A highly birefringent metal-free crystal assembled by cooperative non-covalent interactions.","Materials horizons","2024","11","18","4393","4399","10.1039/d4mh00422a","","","1.54184","CuKα","","0.0312","0.0241","","","0.0625","0.0669","","","","","","1.0939","","","","has coordinates","295351","2024-10-06","09:32:29",""
"1572048","9.2454","0.0013","19.524","0.003","29.571","0.006","90","","92.763","0.007","90","","5331.6","1.6","193","","193","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H64 B Cl N O3.5 P -","- C58.5 H58 B Cl N O2 P -","- C234 H232 B4 Cl4 N4 O8 P4 -","4","2","","Wang, Yu; Lv, Zi-Yi; Chen, Zi-Xuan; Xing, Shuai; Huo, Zhong-Zhong; Hong, Xian-Fang; Yuan, Li; Li, Wei; Zheng, You-Xuan","Multiple-resonance thermally activated delayed fluorescence materials based on phosphorus central chirality for efficient circularly polarized electroluminescence","Materials Horizons","2024","11","19","4722","4729","10.1039/D4MH00605D","","","1.54178","CuKα","","0.1465","0.0923","","","0.2425","0.2883","","","","","","1.009","","","","has coordinates,has disorder","295349","2024-10-06","09:31:48",""
"1572049","32.7114","0.0013","32.7114","0.0013","23.7266","0.0014","90","","90","","120","","21986.9","1.8","193","","193","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C69 H72 B Cl8 N2 O2 P -","- C64 H60 B N2 O P -","- C768 H720 B12 N24 O12 P12 -","12","2","","Wang, Yu; Lv, Zi-Yi; Chen, Zi-Xuan; Xing, Shuai; Huo, Zhong-Zhong; Hong, Xian-Fang; Yuan, Li; Li, Wei; Zheng, You-Xuan","Multiple-resonance thermally activated delayed fluorescence materials based on phosphorus central chirality for efficient circularly polarized electroluminescence","Materials Horizons","2024","11","19","4722","4729","10.1039/D4MH00605D","","x-ray","1.54178","CuKα","","0.1217","0.0827","","","0.2313","0.2824","","","","","","1.002","","","","has coordinates,has disorder","295349","2024-10-06","09:31:48",""
"1572118","11.0508","0.0008","16.0816","0.0011","28.825","0.002","90","","93.905","0.002","90","","5110.7","0.6","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H59 B N2 -","- C65 H59 B N2 -","- C260 H236 B4 N8 -","4","1","","Cheng, Hu; Lan, Jingbo; Yang, Yudong; Bin, Zhengyang","Spirobifluorene-fused strategy enables pure-green multiple resonance emitters with low efficiency roll-off.","Materials horizons","2024","11","19","4674","4680","10.1039/d4mh00634h","","","0.71073","MoKα","","0.1033","0.0527","","","0.109","0.1371","","","","","","1.0913","","","","has coordinates,has disorder","295350","2024-10-06","09:32:11",""