# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-15T21:52:00+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 'The Journal of Physical Chemistry C') AND volume = 125 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
"1559931","24.7443","0.0003","24.7443","0.0003","24.7443","0.0003","90","","90","","90","","15150.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.75 -","- O384 Si192 Zn35.776 -","- O384 Si192 Zn35.776 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0659","0.0574","","","0.1602","0.174","","","","","","1.224","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559932","24.7012","0.0003","24.7012","0.0003","24.7012","0.0003","90","","90","","90","","15071.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O394.64 Si192 Zn38.54 -","- O394.656 Si192 Zn38.576 -","- O394.656 Si192 Zn38.576 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0662","0.0605","","","0.1642","0.1685","","","","","","1.199","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559933","24.7342","0.0003","24.7342","0.0003","24.7342","0.0003","90","","90","","90","","15131.9","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn37.08 -","- O384 Si192 Zn37.088 -","- O384 Si192 Zn37.088 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0792","0.0713","","","0.1966","0.2077","","","","","","1.254","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559934","24.7409","0.0003","24.7409","0.0003","24.7409","0.0003","90","","90","","90","","15144.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn36.44 -","- O384 Si192 Zn36.352 -","- O384 Si192 Zn36.352 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0734","0.0649","","","0.1787","0.1979","","","","","","1.288","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559935","24.7367","0.0003","24.7367","0.0003","24.7367","0.0003","90","","90","","90","","15136.5","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn37 -","- O384 Si192 Zn36.848 -","- O384 Si192 Zn36.848 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0877","0.0702","","","0.1929","0.2176","","","","","","1.327","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559936","24.7334","0.0003","24.7334","0.0003","24.7334","0.0003","90","","90","","90","","15130.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.93 -","- O384 Si192 Zn35.888 -","- O384 Si192 Zn35.888 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0796","0.0725","","","0.2099","0.2155","","","","","","1.174","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559937","24.706","0.0003","24.706","0.0003","24.706","0.0003","90","","90","","90","","15080.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O393.88 Si192 Zn37.67 -","- O393.878 Si192 Zn37.68 -","- O393.878 Si192 Zn37.68 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0418","0.0411","","","0.1232","0.1235","","","","","","1.254","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559938","24.7496","0.0003","24.7496","0.0003","24.7496","0.0003","90","","90","","90","","15160.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.51 -","- O384 Si192 Zn35.472 -","- O384 Si192 Zn35.472 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0625","0.0585","","","0.1744","0.178","","","","","","1.203","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559939","24.731","0.0002","24.731","0.0002","24.731","0.0002","90","","90","","90","","15126","0.2","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O389.23 Si192 Zn36.1 -","- O389.251 Si192 Zn36.144 -","- O389.251 Si192 Zn36.144 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.056","0.0525","","","0.1314","0.1382","","","","","","1.249","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559940","24.7323","0.0003","24.7323","0.0003","24.7323","0.0003","90","","90","","90","","15128.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O389.95 Si192 Zn35.28 -","- O389.952 Si192 Zn35.264 -","- O389.952 Si192 Zn35.264 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0649","0.0597","","","0.1809","0.1851","","","","","","1.197","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559941","24.7508","0.0003","24.7508","0.0003","24.7508","0.0003","90","","90","","90","","15162.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn36.19 -","- O384 Si192 Zn36.192 -","- O384 Si192 Zn36.192 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0694","0.064","","","0.1831","0.188","","","","","","1.205","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559942","24.7029","0.0003","24.7029","0.0003","24.7029","0.0003","90","","90","","90","","15074.5","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O393.73 Si192 Zn37.59 -","- O393.744 Si192 Zn37.568 -","- O393.744 Si192 Zn37.568 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0672","0.062","","","0.1882","0.1946","","","","","","1.226","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559943","24.7557","0.0003","24.7557","0.0003","24.7557","0.0003","90","","90","","90","","15171.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.75 -","- O384 Si192 Zn35.68 -","- O384 Si192 Zn35.68 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0634","0.057","","","0.1529","0.1593","","","","","","1.2","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559944","24.743","0.0003","24.743","0.0003","24.743","0.0003","90","","90","","90","","15148.1","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn36.82 -","- O384 Si192 Zn36.8 -","- O384 Si192 Zn36.8 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0725","0.066","","","0.1929","0.1963","","","","","","1.194","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559945","24.7327","0.0003","24.7327","0.0003","24.7327","0.0003","90","","90","","90","","15129.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O389.83 Si192 Zn35.41 -","- O389.818 Si192 Zn35.44 -","- O389.818 Si192 Zn35.44 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0595","0.0561","","","0.1666","0.1728","","","","","","1.204","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1560267","48.002","0.01","35.012","0.007","30.277","0.006","90","","127.84","0.03","90","","40185","2","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C1440 H1104 Ag112 Cl48 F48 P64 Pt8 S48 -","8","1","","Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui","Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters","The Journal of Physical Chemistry C","2021","125","3","2194","2201","10.1021/acs.jpcc.0c10481","","","0.77484","synchrotron","","0.0661","0.0621","","","0.1757","0.1812","","","","","","1.029","","","","has coordinates","261491","2021-02-04","02:50:15",""
"1560268","47.8113","0.0013","34.9302","0.001","30.1732","0.0008","90","","127.995","0.001","90","","39711","2","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C1440 H1104 Ag112 Cl48 F48 P64 Pt8 S48 -","8","1","","Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui","Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters","The Journal of Physical Chemistry C","2021","125","3","2194","2201","10.1021/acs.jpcc.0c10481","","","1.54178","CuKα","","0.0582","0.0436","","","0.1128","0.1234","","","","","","1.023","","","","has coordinates","261492","2021-02-04","02:50:58",""
"1560269","18.9452","0.001","19.2539","0.0012","20.0639","0.0011","89.647","0.004","67.76","0.003","71.704","0.003","6378.7","0.7","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C216 H140 Ag24 Cl20 F20 P4 Pt S20 -","- C216 H140 Ag24 Cl20 F20 P4 Pt S20 -","- C216 H140 Ag24 Cl20 F20 P4 Pt S20 -","1","0.5","","Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui","Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters","The Journal of Physical Chemistry C","2021","125","3","2194","2201","10.1021/acs.jpcc.0c10481","","","1.54178","CuKα","","0.1495","0.1253","","","0.3288","0.3579","","","","","","1.3425","","","","has coordinates","261493","2021-02-04","02:51:48",""
"1560840","16.7002","0.0012","8.989","0.0007","17.8237","0.0014","90","","96.9476","0.0018","90","","2656","0.4","297","","297.41","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C37H25NO","","- C37 H25 N O -","- C37 H25 N O -","- C148 H100 N4 O4 -","4","1","","Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei","Organic Micro-/Nanocrystals of SFX-Based Attractor‒Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement","The Journal of Physical Chemistry C","2021","125","11","6249","6259","10.1021/acs.jpcc.0c09702","","x-ray","0.71073","MoKα","","0.0908","0.0578","","","0.1281","0.146","","","","","","1.0314","","","","has coordinates","263599","2021-04-04","10:03:01",""
"1560841","10.445","0.003","11.048","0.003","15.689","0.005","97.771","0.007","96.286","0.008","94.504","0.008","1775","0.9","298.07","","298.07","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H34 N2 O -","- C49 H34 N2 O -","- C98 H68 N4 O2 -","2","1","","Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei","Organic Micro-/Nanocrystals of SFX-Based Attractor‒Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement","The Journal of Physical Chemistry C","2021","125","11","6249","6259","10.1021/acs.jpcc.0c09702","","","0.71073","MoKα","","0.1437","0.0963","","","0.1939","0.2079","","","","","","1.163","","","","has coordinates","263599","2021-04-04","10:03:01",""
"1561001","9.1686","0.0005","11.5792","0.0006","25.431","0.002","90","","90","","90","","2699.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N6 O9 -","- C28 H24 N6 O9 -","- C112 H96 N24 O36 -","4","1","","Saha, Monochura; Bandyopadhyay, Subhajit","Stimuli Responsive Stable Radical Anion for Conductance Switching","The Journal of Physical Chemistry C","2021","125","11","6427","6432","10.1021/acs.jpcc.1c00230","","x-ray","0.71073","MoKα","","0.0529","0.0463","","","0.1251","0.1299","","","","","","1.106","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1561127","5.4858","0.0004","5.4827","0.0004","7.81681","0.00015","90","","90.123","0.004","90","","235.11","0.02","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Pr W -","- Na Ni O6 Pr W -","- Na2 Ni2 O12 Pr2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.6316","6.8077","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561128","5.45987","0.0001","5.4814","0.0001","7.81308","0.00011","90","","90.164","0.002","90","","233.827","0.007","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Nd Ni O6 W -","- Na Nd Ni O6 W -","- Na2 Nd2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.7979","5.9408","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561129","5.37618","0.00008","5.48688","0.00009","7.78128","0.00012","90","","90.2441","0.0009","90","","229.534","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Gd Na Ni O6 W -","- Gd Na Ni O6 W -","- Gd2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.9224","5.3231","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561130","5.41399","0.00016","5.47939","0.00017","7.7985","0.0002","90","","90.2542","0.0018","90","","231.343","0.012","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Sm W -","- Na Ni O6 Sm W -","- Na2 Ni2 O12 Sm2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","8.0355","4.3695","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561131","5.35966","0.00004","5.48918","0.00005","7.77309","0.00006","90","","90.2581","0.0005","90","","228.683","0.003","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Tb W -","- Na Ni O6 Tb W -","- Na2 Ni2 O12 Tb2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.8667","2.8112","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561132","5.39582","0.00007","5.48536","0.00008","7.79284","0.00011","90","","90.2646","0.0008","90","","230.65","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Eu Na Ni O6 W -","- Eu Na Ni O6 W -","- Eu2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","6.5479","3.2417","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561133","5.5156","0.0008","5.5153","0.0008","7.83952","0.00018","90","","90.137","0.004","90","","238.48","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- La Na Ni O6 W -","- La Na Ni O6 W -","- La2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.4125","8.8474","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561942","8.4255","0.0005","12.3597","0.0008","13.7917","0.0009","104.032","0.003","98.783","0.003","90.292","0.003","1375.7","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Br N5 O8 Ru S3 -","- C19 H30 Br N5 O8 Ru S3 -","- C38 H60 Br2 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; Velazquez-Garcia, Jose de J.","Nanooptomechanical Transduction in a Single Crystal with 100% Photoconversion","The Journal of Physical Chemistry C","2021","125","16","8907","8915","10.1021/acs.jpcc.1c02457","","","0.71073","MoKα","","0.2339","0.0691","","","0.1403","0.1831","","","","","","0.814","","","","has coordinates,has disorder","264821","2021-05-04","00:50:57",""
"1562381","5.34558","0.00006","5.55762","0.00007","7.87444","0.00007","90","","90.2851","0.0007","90","","233.936","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Lu Mn Na O6 W -","- Lu Mn Na O6 W -","- Lu2 Mn2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","12.3278","10.431","","","","","","","has coordinates","265759","2021-06-04","01:03:15",""
"1562382","5.30219","0.00008","5.50632","0.00008","7.76771","0.00011","90","","90.2633","0.0013","90","","226.78","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Lu Na O6 W -","- Co Lu Na O6 W -","- Co2 Lu2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","6.3328","3.8787","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562383","5.32174","0.00003","5.51366","0.00003","7.77534","0.00003","90","","90.2722","0.0004","90","","228.144","0.002","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Na O6 Tm W -","- Co Na O6 Tm W -","- Co2 Na2 O12 Tm2 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","9.2904","4.8644","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562384","5.31027","0.00006","5.51156","0.00007","7.7711","0.00007","90","","90.2794","0.0007","90","","227.441","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Na O6 W Yb -","- Co Na O6 W Yb -","- Co2 Na2 O12 W2 Yb2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","13.469","5.5987","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562385","5.33407","0.00002","5.51959","0.00002","7.78263","0.00002","90","","90.2676","0.0003","90","","229.133","0.0013","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Er Na O6 W -","- Co Er Na O6 W -","- Co2 Er2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","7.455","3.1487","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562675","11.434","0.004","16.592","0.006","7.918","0.003","90","","101.679","0.004","90","","1471","0.9","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 Br3 N2 Pb -","- C9 H17 Br3 N2 Pb -","- C36 H68 Br12 N8 Pb4 -","4","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","","0.71073","MoKα","","0.039","0.025","","","0.0491","0.0525","","","","","","1.047","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562676","7.941","0.002","9.783","0.003","16.168","0.005","90","","90","","90","","1256","0.6","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 Br3 N2 Pb -","- C6 H12 Br3 N2 Pb -","- C24 H48 Br12 N8 Pb4 -","4","0.5","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","","0.71073","MoKα","","0.0319","0.0254","","","0.0551","0.0576","","","","","","1.076","","","","has coordinates,has disorder","265760","2021-06-04","01:03:27",""
"1562677","17.6424","0.0002","7.7315","0.0001","19.1592","0.0002","90","","90","","90","","2613.36","0.05","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Br3 N2 Pb -","- C7 H12 Br3 N2 Pb -","- C56 H96 Br24 N16 Pb8 -","8","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","x-ray","1.54184","CuKα","","0.0408","0.0395","","","0.105","0.106","","","","","","1.067","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562678","10.2578","0.0008","23.1688","0.0018","7.7621","0.0006","90","","101.481","0.001","90","","1807.8","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H23 Br3 N2 O Pb -","- C10 H23 Br3 N2 O Pb -","- C40 H92 Br12 N8 O4 Pb4 -","4","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","","0.71073","MoKα","","0.0734","0.0425","","","0.113","0.1317","","","","","","1.0041","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562684","7.047","0.0014","8.9611","0.0018","9.4376","0.0019","76.52","0.03","71.24","0.03","86.47","0.03","548.7","0.2","333","2","333","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl3 N4 O0.6 -","- C24 H20 Cl3 N4 O0.4 -","- C24 H20 Cl3 N4 O0.4 -","1","0.5","","Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul","Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating","The Journal of Physical Chemistry C","2021","125","20","10991","10997","10.1021/acs.jpcc.0c10644","","","0.63","synchrotron","","0.1322","0.075","","","0.2128","0.2513","","","","","","0.998","","","","has coordinates,has disorder","265761","2021-06-04","01:03:34",""
"1562685","7.0475","0.0005","27.97","0.002","11.386","0.0008","90","","102.511","0.004","90","","2191.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Cl1.19 N2 O0.4 -","- C12 H10 Cl1.187 N2 O0.4 -","- C96 H80 Cl9.496 N16 O3.2 -","8","1","","Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul","Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating","The Journal of Physical Chemistry C","2021","125","20","10991","10997","10.1021/acs.jpcc.0c10644","","","0.71073","MoKα","","0.1509","0.0795","","","0.2307","0.2963","","","","","","1.049","","","","has coordinates","265761","2021-06-04","01:03:34",""
"1563145","8.7239","0.0011","8.507","0.007","6.5045","0.0013","90","","90.697","0.016","90","","482.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.1226","0.0865","","","0.2169","0.2619","","","","","","1.105","","","","has coordinates","266973","2021-07-04","01:49:53",""
"1563146","8.327","0.0011","9.205","0.008","8.4719","0.0014","90","","90.299","0.014","90","","649.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.1248","0.083","","","0.1989","0.2502","","","","","","1.052","","","","has coordinates","266973","2021-07-04","01:50:01",""
"1563147","8.8127","0.0009","8.643","0.006","6.5945","0.0015","90","","90.534","0.011","90","","502.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.1189","0.0939","","","0.2495","0.2946","","","","","","1.143","","","","has coordinates","266973","2021-07-04","01:50:01",""
"1563148","8.83268","0.00013","8.7958","0.001","6.92308","0.00016","90","","90.0647","0.0017","90","","537.86","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0846","0.0475","","","0.102","0.1453","","","","","","1.162","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563149","8.2829","0.0005","9.301","0.005","8.7479","0.001","90","","90.324","0.008","90","","673.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0623","0.0441","","","0.0922","0.1269","","","","","","1.201","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563150","8.3477","0.0004","9.3692","0.0019","8.9074","0.0004","90","","90.318","0.003","90","","696.65","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.2903","synchrotron","","0.0328","0.0285","","","0.0652","0.0688","","","","","","1.026","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563151","8.5901","0.0017","8.483","0.008","6.464","0.002","90","","89.13","0.03","90","","471","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.2117","0.1357","","","0.3502","0.4337","","","","","","1.318","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563152","8.8272","0.0003","8.735","0.002","6.8311","0.0004","90","","90.177","0.004","90","","526.71","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.2082","0.1296","","","0.2798","0.3443","","","","","","1.149","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563153","8.7767","0.0005","8.564","0.004","6.5417","0.0005","90","","90.501","0.006","90","","491.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0779","0.0643","","","0.165","0.1768","","","","","","1.083","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563154","8.3189","0.0002","9.3438","0.0015","8.8428","0.0003","90","","90.322","0.002","90","","687.34","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0288","0.0243","","","0.0517","0.0575","","","","","","1.121","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563155","8.2768","0.0002","9.2699","0.0016","8.6896","0.0003","90","","90.34","0.003","90","","666.7","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0632","0.046","","","0.1204","0.154","","","","","","1.121","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563156","8.8562","0.0003","8.672","0.003","6.6496","0.0005","90","","90.452","0.004","90","","510.68","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0836","0.0676","","","0.175","0.1933","","","","","","1.093","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1564807","14.8483","0.001","26.8994","0.0018","9.0681","0.0006","90","","97.531","0.001","90","","3590.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 I2 N4 O2 -","- C41 H36 I2 N4 O2 -","- C164 H144 I8 N16 O8 -","4","1","","Hossain, Muhammad Saddam; Sindt, Ammon J.; Goodlett, Dustin W.; Shields, Dylan J.; O’Connor, Colin J.; Antevska, Aleksandra; Karakalos, Stavros G.; Smith, Mark D.; Garashchuk, Sophya; Do, Thanh D.; Gudmundsdottir, Anna D.; Shimizu, Linda S.","Effects of Self-Assembly on the Photogeneration of Radical Cations in Halogenated Triphenylamines","The Journal of Physical Chemistry C","2021","125","36","19991","20002","10.1021/acs.jpcc.1c04933","","x-ray","0.71073","MoKα","","0.057","0.0468","","","0.1038","0.1079","","","","","","1.195","","","","has coordinates","269526","2021-10-04","01:24:28",""
"1564808","18.4725","0.0012","19.8765","0.0013","8.9785","0.0006","90","","90","","90","","3296.6","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C39 H32 Cl2 N4 O -","- C39 H32 Cl2 N4 O -","- C156 H128 Cl8 N16 O4 -","4","0.5","","Hossain, Muhammad Saddam; Sindt, Ammon J.; Goodlett, Dustin W.; Shields, Dylan J.; O’Connor, Colin J.; Antevska, Aleksandra; Karakalos, Stavros G.; Smith, Mark D.; Garashchuk, Sophya; Do, Thanh D.; Gudmundsdottir, Anna D.; Shimizu, Linda S.","Effects of Self-Assembly on the Photogeneration of Radical Cations in Halogenated Triphenylamines","The Journal of Physical Chemistry C","2021","125","36","19991","20002","10.1021/acs.jpcc.1c04933","","x-ray","0.71073","MoKα","","0.0562","0.0418","","","0.1028","0.1131","","","","","","1.033","","","","has coordinates,has disorder","269527","2021-10-04","01:24:55",""
"1564809","8.503","0.003","12.437","0.005","14.17","0.006","105.555","0.009","98.36","0.011","90.075","0.008","1427","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 I N5 O8 Ru S3 -","- C19 H16 I0.941 N5 O8 Ru S3 -","- C38 H32 I1.882 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng","Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex","The Journal of Physical Chemistry C","2021","125","36","20059","20066","10.1021/acs.jpcc.1c05903","","","0.41328","synchrotron","","0.1774","0.1146","","","0.2884","0.3406","","","","","","1.043","","","","has coordinates,has disorder","269528","2021-10-04","01:25:21",""
"1564810","8.4103","0.0018","12.454","0.003","14.17","0.003","105.337","0.005","98.52","0.005","90.33","0.004","1414","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 I N5 O8 Ru S3 -","- C19 H16 I0.954 N5 O8 Ru S3 -","- C38 H32 I1.908 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng","Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex","The Journal of Physical Chemistry C","2021","125","36","20059","20066","10.1021/acs.jpcc.1c05903","","","0.41328","synchrotron","","0.1476","0.0907","","","0.2279","0.2791","","","","","","1.046","","","","has coordinates,has disorder","269529","2021-10-04","01:25:45",""
"1564811","8.3091","0.001","12.5928","0.0016","13.8952","0.0018","99.446","0.003","97.962","0.003","90.617","0.003","1419.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 I N5 O8 Ru S3 -","- C19 H12 I0.953 N5 O8 Ru S3 -","- C38 H24 I1.906 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng","Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex","The Journal of Physical Chemistry C","2021","125","36","20059","20066","10.1021/acs.jpcc.1c05903","","","0.41328","synchrotron","","0.2732","0.1111","","","0.2666","0.3471","","","","","","1.025","","","","has coordinates,has disorder","269530","2021-10-04","01:26:13",""
"1565115","16.6705","0.0015","13.9677","0.0012","9.4774","0.0008","90","","93.11","0.002","90","","2203.5","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C120 H76 Cl4 N8 -","4","1","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.0963","0.0576","","","0.1189","0.1611","","","","","","1.134","","","","has coordinates","270290","2021-11-04","01:43:41",""
"1565116","9.2405","0.0008","29.612","0.002","16.2931","0.0013","90","","96.573","0.003","90","","4429","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C240 H152 Cl8 N16 -","8","2","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.128","0.0585","","","0.1009","0.1218","","","","","","1.016","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1565117","9.2679","0.0008","14.4507","0.0011","25.754","0.002","89.104","0.003","88.444","0.003","81.598","0.003","3410.7","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C180 H114 Cl6 N12 -","6","3","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.1458","0.0642","","","0.1177","0.144","","","","","","1.021","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1565118","9.2641","0.0005","14.4485","0.0008","25.7528","0.0014","89.128","0.002","88.531","0.002","81.574","0.002","3408.5","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C180 H114 Cl6 N12 -","6","3","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.153","0.0671","","","0.1218","0.1488","","","","","","1.021","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1565119","10.5351","0.0003","14.631","0.0004","11.9513","0.0003","90","","107.187","0.001","90","","1759.9","0.08","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N6 S -","- C16 H14 Cl2 N6 S -","- C64 H56 Cl8 N24 S4 -","4","1","","Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei","Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals","The Journal of Physical Chemistry C","2021","125","40","22346","22353","10.1021/acs.jpcc.1c07151","","","0.71073","MoKα","","0.0537","0.0439","","","0.1094","0.1155","","","","","","1.05","","","","has coordinates","270294","2021-11-04","01:45:50",""
"1565120","8.3523","0.0002","8.8031","0.0002","13.6886","0.0004","77.895","0.002","76.682","0.002","68.795","0.002","904.19","0.04","199.99","0.1","199.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H3.5 N2 O1.5 S0.25 -","- C4 H3.5 N2 O1.5 S0.25 -","- C32 H28 N16 O12 S2 -","8","4","","Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei","Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals","The Journal of Physical Chemistry C","2021","125","40","22346","22353","10.1021/acs.jpcc.1c07151","","x-ray","1.54184","CuKα","","0.0641","0.0574","","","0.151","0.1562","","","","","","1.039","","","","has coordinates","270295","2021-11-04","01:46:21",""
"1565121","8.1317","0.0016","8.2472","0.0019","13.369","0.003","81.667","0.009","80.676","0.008","65.115","0.007","799.6","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Cl N6 S -","- C16 H13 Cl N6 S -","- C32 H26 Cl2 N12 S2 -","2","1","","Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei","Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals","The Journal of Physical Chemistry C","2021","125","40","22346","22353","10.1021/acs.jpcc.1c07151","","","0.71073","MoKα","","0.0496","0.0399","","","0.1054","0.1097","","","","","","1.08","","","","has coordinates","270296","2021-11-04","01:46:43",""
"1565524","4.58111","0.00005","5.59297","0.00006","4.96249","0.00005","90","","90","","90","","127.149","0.002","295","","295","","","","","","","","Synthesized","3","P b c n","-P 2n 2ab","60","Alpha-Fe2WO6","Iron tungsten oxide","","- Fe2.67 O8 W1.33 -","- Fe2.66664 O8 W1.33336 -","- Fe2.66664 O8 W1.33336 -","1","0.125","","Caubergh, Stéphane; Matsubara, Nami; Damay, Françoise; Fauth, François; Khalyavin, Dmitry D.; Manuel, Pascal; Mahmoud, Abdelfattah; Poelman, Dirk; Martin, Christine; Vertruyen, Bénédicte","Cationic Ordering, Solid Solution Domain, and Diffuse Reflectance in Fe2WO6 Polymorphs","The Journal of Physical Chemistry C","2021","125","46","25907","25916","10.1021/acs.jpcc.1c08314","powder diffraction","x-ray","0.44304","synchrotron","","","","","","","","","5.7481","0.27115","","","","","","","has coordinates","271104","2021-12-04","02:46:04",""
"1565525","7.9798","0.0001","7.2523","0.0001","14.3587","0.0002","90","","92.458","0.002","90","","830.201","0.019","299.98","0.1","299.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 N4 -","- C22 H10 N4 -","- C44 H20 N8 -","2","0.5","","Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De","Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals","The Journal of Physical Chemistry C","2021","125","46","25462","25469","10.1021/acs.jpcc.1c09151","","x-ray","1.54184","CuKα","","0.0611","0.0578","","","0.15","0.1538","","","","","","1.047","","","","has coordinates","271105","2021-12-04","02:46:26",""
"1565526","7.1725","0.0003","10.0841","0.0004","14.7504","0.0005","90","","102.395","0.004","90","","1042","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De","Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals","The Journal of Physical Chemistry C","2021","125","46","25462","25469","10.1021/acs.jpcc.1c09151","","x-ray","1.54184","CuKα","","0.1074","0.095","","","0.3333","0.3622","","","","","","1.542","","","","has coordinates","271106","2021-12-04","02:46:47",""
"1565527","7.0091","0.0004","9.4292","0.0005","13.9875","0.0008","90","","101.465","0.006","90","","905.99","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 -","- C26 H12 N4 -","- C52 H24 N8 -","2","0.5","","Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De","Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals","The Journal of Physical Chemistry C","2021","125","46","25462","25469","10.1021/acs.jpcc.1c09151","","x-ray","1.54184","CuKα","","0.0517","0.0499","","","0.1479","0.1504","","","","","","1.064","","","","has coordinates","271107","2021-12-04","02:47:07",""
"1565528","6.6691","0.0002","22.8845","0.0007","8.3705","0.0003","90","","108.977","0.004","90","","1208.06","0.07","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","x-ray","1.54184","Synchrotron","","0.1687","0.0948","","","0.1766","0.209","","","","","","1.0612","","","","has coordinates","271108","2021-12-04","02:47:39",""
"1565529","6.62655","0.00014","22.8918","0.0004","8.33673","0.00018","90","","109.195","0.002","90","","1194.32","0.04","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","","0.7","synchrotron","","0.1024","0.069","","","0.1604","0.1802","","","","","","1.09","","","","has coordinates","271109","2021-12-04","02:48:02",""
"1565530","6.58484","0.00014","22.9103","0.0005","8.31003","0.00018","90","","109.278","0.002","90","","1183.36","0.05","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","x-ray","0.7","Synchrotron","","0.0776","0.0571","","","0.1497","0.1637","","","","","","1.0632","","","","has coordinates","271110","2021-12-04","02:48:34",""
"1565531","6.6095","0.0001","22.9174","0.0005","8.3274","0.0002","90","","109.247","0.002","90","","1190.87","0.05","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","","0.7","synchrotron","","0.0698","0.0509","","","0.1394","0.153","","","","","","1.054","","","","has coordinates","271111","2021-12-04","02:48:56",""
"1565532","15.8872","0.0003","27.0504","0.0005","8.1864","0.0002","90","","101.837","0.002","90","","3443.33","0.13","298.86","0.1","298.86","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Cl7 N4 O2 Sb -","- C20 H36 Cl7 N4 O2 Sb -","- C80 H144 Cl28 N16 O8 Sb4 -","4","0.5","","Li, Xianli; Peng, Chao; Xiao, Yonghong; Xue, Dongfeng; Luo, Binbin; Huang, Xiao-Chun","Guest-Induced Reversible Phase Transformation of Organic–Inorganic Phenylpiperazinium Antimony (III) Chlorides with Solvatochromic Photoluminescence","The Journal of Physical Chemistry C","2021","125","45","25112","25118","10.1021/acs.jpcc.1c07725","","x-ray","1.54184","CuKα","","0.0311","0.0294","","","0.0828","0.0836","","","","","","1.089","","","","has coordinates","271112","2021-12-04","02:49:19",""
"1565533","12.743","0.0001","28.0958","0.0003","8.4578","0.0001","90","","103.048","0.001","90","","2949.92","0.05","298.3","0.7","298.3","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 Cl7 N4 Sb -","- C20 H32 Cl7 N4 Sb -","- C80 H128 Cl28 N16 Sb4 -","4","0.5","","Li, Xianli; Peng, Chao; Xiao, Yonghong; Xue, Dongfeng; Luo, Binbin; Huang, Xiao-Chun","Guest-Induced Reversible Phase Transformation of Organic–Inorganic Phenylpiperazinium Antimony (III) Chlorides with Solvatochromic Photoluminescence","The Journal of Physical Chemistry C","2021","125","45","25112","25118","10.1021/acs.jpcc.1c07725","","x-ray","1.54184","CuKα","","0.0655","0.0644","","","0.1766","0.177","","","","","","1.257","","","","has coordinates,has disorder","271113","2021-12-04","02:49:46",""
"1565896","14.2798","0.0008","10.3222","0.0006","7.3243","0.0004","90","","90","","90","","1079.59","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 Cs2 H2 In O -","- Cl5 Cs2 H2 In O -","- Cl20 Cs8 H8 In4 O4 -","4","0.5","","Kshirsagar, Anuraj S.; Arfin, Habibul; Banerjee, Srijita; Mondal, Barnali; Nag, Angshuman","Colloidal Sb3±Doped Cs2InCl5·H2O Perovskite Nanocrystals with Temperature-Dependent Luminescence","The Journal of Physical Chemistry C","2021","125","50","27671","27677","10.1021/acs.jpcc.1c08720","","","0.71073","","","0.0255","0.0239","","","0.0845","0.0875","","","","","","0.79","","","","has coordinates","271776","2022-01-04","02:06:20",""
"1565897","11.7566","0.0005","7.5793","0.0003","22.5745","0.0008","90","","90","","90","","2011.54","0.14","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H8 F N -","- C13 H8 F N -","- C104 H64 F8 N8 -","8","1","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0811","0.0501","","","0.1254","0.1533","","","","","","1.052","","","","has coordinates","271777","2022-01-04","02:06:44",""
"1565898","9.4587","0.0013","14.6067","0.0016","15.293","0.002","90","","98.149","0.005","90","","2091.6","0.5","159","2","159","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","2","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0395","0.0356","","","0.076","0.0771","","","","","","1.347","","","","has coordinates,has disorder","271778","2022-01-04","02:07:10",""
"1565899","9.4825","0.0004","14.6148","0.0005","15.3482","0.0006","90","","98.097","0.002","90","","2105.82","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","2","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.039","0.035","","","0.0877","0.0892","","","","","","1.187","","","","has coordinates","271779","2022-01-04","02:07:30",""
"1565900","3.7723","0.0002","11.1607","0.0006","12.1361","0.0007","90","","94.841","0.002","90","","509.13","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H8 Cl N -","- C13 H8 Cl N -","- C26 H16 Cl2 N2 -","2","1","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0678","0.0664","","","0.174","0.1752","","","","","","1.186","","","","has coordinates,has disorder","271781","2022-01-04","02:07:53",""
"1565901","14.0129","0.0005","21.0765","0.0008","15.0463","0.0006","90","","93.872","0.002","90","","4433.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H40 Cd2 N9 O9 -","- C51 H40 Cd2 N9 O9 -","- C204 H160 Cd8 N36 O36 -","4","1","","Sarkar, Anupam; Mistry, Subhradeep; Natarajan, Srinivasan","Friedländer, Knoevenagel, and Michael Reactions Employing the Same MOF: Synthesis, Structure, and Heterogeneous Catalytic Studies of ([Zn(1,4-NDCA)(3-BPDB)0.5]·(DMF)(MeOH) and [Cd4(1,4-NDCA)4(3-BPDB)4]·2(DMF)","The Journal of Physical Chemistry C","2021","125","49","27230","27240","10.1021/acs.jpcc.1c08474","","","0.71073","MoKα","","0.0612","0.0447","","","0.1099","0.1202","","","","","","1.021","","","","has coordinates","271782","2022-01-04","02:08:29",""
"1565902","10.2597","0.0004","10.8766","0.0004","10.9289","0.0005","93.653","0.003","109.577","0.004","97.147","0.003","1132.87","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 N2 O4 Zn -","- C18 H9 N2 O4 Zn -","- C36 H18 N4 O8 Zn2 -","2","1","","Sarkar, Anupam; Mistry, Subhradeep; Natarajan, Srinivasan","Friedländer, Knoevenagel, and Michael Reactions Employing the Same MOF: Synthesis, Structure, and Heterogeneous Catalytic Studies of ([Zn(1,4-NDCA)(3-BPDB)0.5]·(DMF)(MeOH) and [Cd4(1,4-NDCA)4(3-BPDB)4]·2(DMF)","The Journal of Physical Chemistry C","2021","125","49","27230","27240","10.1021/acs.jpcc.1c08474","","x-ray","0.71073","MoKα","","0.064","0.0618","","","0.1902","0.1924","","","","","","1.064","","","","has coordinates","271783","2022-01-04","02:09:02",""