# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-02T15:08:52+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 'ACS Materials Letters') AND volume = 1 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
"4515189","12.2981","0.0007","12.3163","0.0008","17.2102","0.0011","83.575","0.002","79.708","0.002","89.976","0.002","2548.2","0.3","302","2","302","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 F10 I8 N4 Pb2 -","- C32 H38 F10 I8 N4 Pb2 -","- C64 H76 F20 I16 N8 Pb4 -","2","1","","Hu, Jun; Oswald, Iain W. H.; Hu, Huamin; Stuard, Samuel J.; Nahid, Masrur Morshed; Yan, Liang; Chen, Zheng; Ade, Harald; Neilson, James R.; You, Wei","Aryl-Perfluoroaryl Interaction in Two-Dimensional Organic‒Inorganic Hybrid Perovskites Boosts Stability and Photovoltaic Efficiency","ACS Materials Letters","2019","1","1","171","","10.1021/acsmaterialslett.9b00102","","","0.71073","MoKα","","0.1095","0.0717","","","0.1832","0.2018","","","","","","1.168","","","","has coordinates,has disorder","220291","2020-10-21","18:00:00",""
"4515190","11.7229","0.0007","16.091","0.0008","19.5838","0.0011","83.814","0.005","74.318","0.005","87.882","0.005","3535.8","0.4","149.8","","149.8","","","","","","","","","4","P -1","-P 1","2","","","","- C160 H164 N5 O28 -","- C160 H164 N5 O28 -","- C160 H164 N5 O28 -","1","0.5","","Shi, Bingbing; Shangguan, Liqing; Wang, Huanhuan; Zhu, Huangtianzhi; Xing, Hao; Liu, Peiren; Liu, Yuezhou; Liu, Jiyong; Huang, Feihe","Pillar[5]arene-Based Molecular Recognition Induced Crystal-to-Crystal Transformation and Its Application in Adsorption of Adiponitrile in Water","ACS Materials Letters","2019","1","1","111","","10.1021/acsmaterialslett.9b00163","","","0.71073","MoKα","","0.1188","0.0719","","","0.1887","0.2299","","","","","","1.036","","","","has coordinates,has disorder","220292","2020-10-21","18:00:00",""
"4515191","11.8512","0.0005","16.3125","0.0008","19.6256","0.001","84.105","0.004","74.395","0.004","88.433","0.004","3634.9","0.3","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C164 H180 N5 O28 -","- C164 H180 N5 O28 -","- C164 H180 N5 O28 -","1","0.5","","Shi, Bingbing; Shangguan, Liqing; Wang, Huanhuan; Zhu, Huangtianzhi; Xing, Hao; Liu, Peiren; Liu, Yuezhou; Liu, Jiyong; Huang, Feihe","Pillar[5]arene-Based Molecular Recognition Induced Crystal-to-Crystal Transformation and Its Application in Adsorption of Adiponitrile in Water","ACS Materials Letters","2019","1","1","111","","10.1021/acsmaterialslett.9b00163","","","0.71073","MoKα","","0.1169","0.063","","","0.1505","0.1865","","","","","","1.023","","","","has coordinates","220293","2020-10-21","18:00:00",""
"4515192","14.50238","0.00013","21.17437","0.00016","21.92873","0.00017","90","","90","","90","","6733.85","0.09","140","0.1","140","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C81 H56 B4 Cl4 N4 O8 -","- C81 H56 B4 Cl4 N4 O8 -","- C324 H224 B16 Cl16 N16 O32 -","4","1","","Stephens, Alexander J.; Scopelliti, Rosario; Tirani, Farzaneh Fadaei; Solari, Euro; Severin, Kay","Crystalline Polymers Based on Dative Boron‒Nitrogen Bonds and the Quest for Porosity","ACS Materials Letters","2019","1","1","3","","10.1021/acsmaterialslett.9b00054","","x-ray","1.54184","CuKα","","0.074","0.0666","","","0.1891","0.1987","","","","","","1.057","","","","has coordinates,has disorder","220294","2020-10-21","18:00:00",""
"4515193","12.1125","0.0008","15.6299","0.001","23.3077","0.0012","87.084","0.005","75.549","0.005","72.54","0.006","4074.7","0.5","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C73 H52 B4 N8 O8 -","- C73 H52 B4 N8 O8 -","- C146 H104 B8 N16 O16 -","2","1","","Stephens, Alexander J.; Scopelliti, Rosario; Tirani, Farzaneh Fadaei; Solari, Euro; Severin, Kay","Crystalline Polymers Based on Dative Boron‒Nitrogen Bonds and the Quest for Porosity","ACS Materials Letters","2019","1","1","3","","10.1021/acsmaterialslett.9b00054","","x-ray","1.54184","CuKα","","0.1516","0.1298","","","0.4025","0.4293","","","","","","1.6","","","","has coordinates","220295","2020-10-21","18:00:00",""
"4515194","25.3403","0.0003","25.3403","0.0003","25.3403","0.0003","90","","90","","90","","16271.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C36 H24 N12 Ni4 O3 -","- C36 H24 N12 Ni4 O3 -","- C288 H192 N96 Ni32 O24 -","8","0.0416667","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong","Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks","ACS Materials Letters","2019","1","1","20","","10.1021/acsmaterialslett.9b00021","","x-ray","0.71073","MoKα","","0.0319","0.0286","","","0.0791","0.0808","","","","","","1.1","","","","has coordinates","220296","2020-10-21","18:00:00",""
"4515195","28.7935","0.0002","28.7935","0.0002","21.0494","0.0003","90","","90","","90","","17451.3","0.3","253","2","253","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C66 H34 N12 Ni4 O3 -","- C66 H34 N12 Ni4 O3 -","- C264 H136 N48 Ni16 O12 -","4","0.25","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong","Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks","ACS Materials Letters","2019","1","1","20","","10.1021/acsmaterialslett.9b00021","","x-ray","1.54178","CuKα","","0.1208","0.1108","","","0.3317","0.3406","","","","","","1.062","","","","has coordinates,has disorder","220297","2020-10-21","18:00:00",""
"4515196","25.351","0.0005","25.351","0.0005","25.351","0.0005","90","","90","","90","","16292.4","0.6","100","10","100","10","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C78 H24 N30 Ni8 O6 -","- C78 H24 N30 Ni8 O6 -","- C312 H96 N120 Ni32 O24 -","4","0.0208333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong","Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks","ACS Materials Letters","2019","1","1","20","","10.1021/acsmaterialslett.9b00021","","x-ray","1.54178","CuKα","","0.0736","0.0673","","","0.2136","0.2284","","","","","","1.179","","","","has coordinates","220298","2020-10-21","18:00:00",""
"4515197","24.844","0.005","19.736","0.004","29.107","0.006","90","","109.15","0.03","90","","13482","5","194","2","194","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C122 H107 Au10 F12 N9 O P10 S4 -","- C122 H107 Au10 F12 N9 O P10 S4 -","- C488 H428 Au40 F48 N36 O4 P40 S16 -","4","1","","Chu, Anlea; Hau, Franky Ka-Wah; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Decanuclear Gold(I) Sulfido Pseudopolymorphs Displaying Stimuli-Responsive RGBY Luminescence Changes","ACS Materials Letters","2019","1","2","277","","10.1021/acsmaterialslett.9b00175","","","0.7199","synchrotron","","0.0323","0.0297","","","0.0803","0.0819","","","","","","1.032","","","","has coordinates,has disorder","220299","2020-10-21","18:00:00",""
"4515198","19.326","0.004","24.028","0.005","30.005","0.006","90","","91.82","0.03","90","","13926","5","194","2","194","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C124 H112 Au10 Cl8 F12 N8 P10 S4 -","- C124 H112 Au10 Cl8 F12 N8 P10 S4 -","- C496 H448 Au40 Cl32 F48 N32 P40 S16 -","4","1","","Chu, Anlea; Hau, Franky Ka-Wah; Yao, Liao-Yuan; Yam, Vivian Wing-Wah","Decanuclear Gold(I) Sulfido Pseudopolymorphs Displaying Stimuli-Responsive RGBY Luminescence Changes","ACS Materials Letters","2019","1","2","277","","10.1021/acsmaterialslett.9b00175","","","0.7199","synchrotron","","0.0751","0.0666","","","0.1856","0.197","","","","","","1.056","","","","has coordinates","220300","2020-10-21","18:00:00",""
"4515199","8.393608","","11.86567","","8.395668","","90","","90","","90","","836.173","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","formamidinium lead bromide","formamidinium lead(II) tribromide","","- C H5 Br3 N2 Pb -","- C H5 Br3 N2 Pb -","- C4 H20 Br12 N8 Pb4 -","4","0.5","","Mozur, Eve M.; Trowbridge, Julia C.; Maughan, Annalise E.; Gorman, Matthew J.; Brown, Craig M.; Prisk, Timothy R.; Neilson, James R.","Dynamical Phase Transitions and Cation Orientation-Dependent Photoconductivity in CH(NH2)2PbBr3","ACS Materials Letters","2019","1","2","260","","10.1021/acsmaterialslett.9b00209","","","","synchrotronx-ray","","","","","","","","","","","","","","","","","has coordinates","220301","2020-10-21","18:00:00",""
"4515200","6.03793","","6.03793","","6.03793","","90","","90","","90","","220.122","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","formamidinium lead bromide","formamidinium lead(II) tribromide","","- C H5 Br3 N2 Pb -","- C H5.0034 Br3 N2.0016 Pb -","- C H5.0034 Br3 N2.0016 Pb -","1","0.0208333","","Mozur, Eve M.; Trowbridge, Julia C.; Maughan, Annalise E.; Gorman, Matthew J.; Brown, Craig M.; Prisk, Timothy R.; Neilson, James R.","Dynamical Phase Transitions and Cation Orientation-Dependent Photoconductivity in CH(NH2)2PbBr3","ACS Materials Letters","2019","1","2","260","","10.1021/acsmaterialslett.9b00209","","","","synchrotronx-ray","","","","","","","","","","","","","","","","","has coordinates","220303","2020-10-21","18:00:00",""
"4515201","35.762","0.013","21.04","0.009","29.441","0.01","90","","94.412","0.012","90","","22087","14","130","2","130.04","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H240 Cl24 Cu61 S32 -","- C110 H240 Cl24 Cu61 S32 -","- C440 H960 Cl96 Cu244 S128 -","4","0.5","","Ghosh, Atanu; Huang, Ren-Wu; Alamer, Badriah; Abou-Hamad, Edy; Hedhili, Mohamed Nejib; Mohammed, Omar F.; Bakr, Osman M.","[Cu61(StBu)26S6Cl6H14]+: A Core‒Shell Superatom Nanocluster with a Quasi-J36 Cu19 Core and an “18-Crown-6” Metal-Sulfide-like Stabilizing Belt","ACS Materials Letters","2019","1","3","297","","10.1021/acsmaterialslett.9b00122","","","0.71073","MoKα","","0.1167","0.0616","","","0.1367","0.1539","","","","","","1.024","","","","has coordinates,has disorder","220304","2020-10-21","18:00:00",""
"4515202","34.4434","0.0018","11.1624","0.0003","19.7605","0.0009","90","","97.631","0.005","90","","7530.1","0.6","149.97","0.1","149.97","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H78 F4 N4 O2 S4 -","- C94 H78 F4 N4 O2 S4 -","- C376 H312 F16 N16 O8 S16 -","4","1","","Cai, Guilong; Wang, Wei; Zhou, Jiadong; Xiao, Yiqun; Liu, Kuan; Xie, Zengqi; Lu, Xinhui; Lian, Jiarong; Zeng, Pengju; Wang, Yiping; Zhan, Xiaowei","Comparison of Linear- and Star-Shaped Fused-Ring Electron Acceptors","ACS Materials Letters","2019","1","3","367","","10.1021/acsmaterialslett.9b00253","","x-ray","1.54184","CuKα","","0.2025","0.104","","","0.2601","0.3219","","","","","","1.033","","","","has coordinates","220305","2020-10-21","18:00:00",""