# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-16T14:54:20+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 'Chemistry of Materials') AND volume = 32 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
"4003497","5.0576","0.0005","6.2808","0.0006","8.3865","0.0008","87.68","0.002","88.647","0.001","89.031","0.001","266.08","0.04","296","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- I4 O12 Sn -","- I4 O12 Sn -","- I4 O12 Sn -","1","0.5","","Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning","Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2","Chemistry of Materials","2020","32","6","2615","2620","10.1021/acs.chemmater.0c00196","","","0.71073","MoKα","","0.0291","0.0273","","","0.0643","0.0651","","","","","","1.264","","","","has coordinates","257100","2020-10-21","18:00:00",""
"4003498","5.436","0.013","9.91","0.02","6.281","0.015","90","","105.44","0.05","90","","326.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- F2 I2 O6 Sn -","- F2 I2 O6 Sn -","- F4 I4 O12 Sn2 -","2","1","","Luo, Min; Liang, Fei; Hao, Xia; Lin, Donghong; Li, Bingxuan; Lin, Zheshuai; Ye, Ning","Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F2","Chemistry of Materials","2020","32","6","2615","2620","10.1021/acs.chemmater.0c00196","","","0.71073","MoKα","","0.0359","0.0328","","","0.065","0.0656","","","","","","0.905","","","","has coordinates","257100","2020-10-21","18:00:00",""
"4003523","9.9327","0.0005","9.829","0.0005","33.11","0.0018","90","","96.721","0.002","90","","3210.3","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C120 H168 N12 O36 -","6","3","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0376","0.0366","","","0.0915","0.0924","","","","","","1.037","","","","has coordinates,has disorder","257096","2020-10-21","18:00:00",""
"4003524","9.9333","0.0005","9.8326","0.0005","33.0974","0.0016","90","","96.739","0.002","90","","3210.3","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C120 H168 N12 O36 -","6","3","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0378","0.0367","","","0.0947","0.0957","","","","","","1.022","","","","has coordinates,has disorder","257096","2020-10-21","18:00:00",""
"4003525","9.8888","0.0004","15.5","0.0006","15.1398","0.0006","90","","104.637","0.001","90","","2245.26","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0529","0.0495","","","0.1421","0.1457","","","","","","1.04","","","","has coordinates","257096","2020-10-21","18:00:00",""
"4003526","16.0197","0.001","6.7614","0.0004","9.9344","0.0006","90","","104.48","0.002","90","","1041.87","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C40 H56 N4 O12 -","2","0.5","","Ghosh, Dipankar; Farahani, Abbas D.; Martin, Adam D.; Thordarson, Pall; Damodaran, Krishna K.","Unraveling the Self-Assembly Modes in Multicomponent Supramolecular Gels Using Single-Crystal X-ray Diffraction","Chemistry of Materials","2020","32","8","3517","3527","10.1021/acs.chemmater.0c00475","","","1.54178","CuKα","","0.0469","0.0428","","","0.1156","0.119","","","","","","1.084","","","","has coordinates","257096","2020-10-21","18:00:00",""
"4003527","11.4483","0.0006","8.1332","0.0005","7.8077","0.0004","90","","90.239","0.004","90","","726.98","0.07","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- I5 K2 Na O14 -","- I5 K2 Na O14 -","- I10 K4 Na2 O28 -","2","1","","Abudouwufu, Tushagu; Zhang, Min; Cheng, Shichao; Zeng, Hao; Yang, Zhihua; Pan, Shilie","K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions","Chemistry of Materials","2020","32","8","3608","3614","10.1021/acs.chemmater.0c00878","","","0.71073","MoKα","","0.0421","0.0391","","","0.0862","0.0881","","","","","","1.029","","","","has coordinates","257098","2020-10-21","18:00:00",""
"4003528","25.92","0.02","25.92","0.02","6.857","0.006","90","","90","","120","","3990","6","298","","298","","","","","","","","","4","R -3 :H","-R 3","148","Zn2(dobdc)(CO2)1.0","","","- C9 H2 O7.99 Zn2 -","- C9 H2 O8 Zn2 -","- C81 H18 O72 Zn18 -","9","0.5","","Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.","Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks","Chemistry of Materials","2020","32","8","3570","3576","10.1021/acs.chemmater.0c00745","","","0.7288","synchrotron","","0.1231","0.0752","","","0.1815","0.2071","","","","","","1.089","","","","has coordinates","257097","2020-10-21","18:00:00",""
"4003529","25.931","0.018","25.931","0.018","6.839","0.005","90","","90","","120","","3983","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","Zn2(dobdc)(CO2)2.0","","","- C9.98 H2 O9.96 Zn2 -","- C9.986 H2 O9.966 Zn2 -","- C89.874 H18 O89.694 Zn18 -","9","0.5","","Forse, Alexander C.; Colwell, Kristen A.; Gonzalez, Miguel I.; Benders, Stefan; Torres-Gavosto, Rodolfo M.; Blümich, Bernhard; Reimer, Jeffrey A.; Long, Jeffrey R.","Influence of Pore Size on Carbon Dioxide Diffusion in Two Isoreticular Metal‒Organic Frameworks","Chemistry of Materials","2020","32","8","3570","3576","10.1021/acs.chemmater.0c00745","","","0.7288","synchrotron","","0.0877","0.0646","","","0.1657","0.1813","","","","","","1.032","","","","has coordinates,has disorder","257097","2020-10-21","18:00:00",""
"4003530","7.137","0.002","7.605","0.002","10.036","0.002","87.757","0.004","77.802","0.004","80.176","0.003","524.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag Ga I4 O12 -","- Ag Ga I4 O12 -","- Ag2 Ga2 I8 O24 -","2","1","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0366","0.0358","","","0.1001","0.1007","","","","","","1.146","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003531","7.342","0.0015","15.218","0.003","14.997","0.003","90","","101.01","0.03","90","","1644.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag3 I12 In3 O36 -","- Ag3 I12 In3 O36 -","- Ag6 I24 In6 O72 -","2","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0543","0.0494","","","0.144","0.1462","","","","","","1.112","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003532","8.116","0.0016","10.426","0.002","11.11","0.002","75.09","0.03","89.91","0.03","76.2","0.03","880.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag3 I6 In O18 -","- Ag3 I6 In O18 -","- Ag6 I12 In2 O36 -","2","1","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","x-ray","0.63","synchrotron","","0.0465","0.0457","","","0.1303","0.1312","","","","","","1.064","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003533","7.5396","0.0003","7.5656","0.0003","7.595","0.0003","99.546","0.001","96.843","0.001","96.51","0.001","420.25","0.03","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","- Ga H I6 K2 O18 -","1","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","","0.71073","MoKα","","0.0342","0.0292","","","0.0626","0.0687","","","","","","1.238","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003534","7.6379","0.0005","7.6553","0.0005","7.6882","0.0005","99.145","0.002","96.914","0.002","97.321","0.002","435.64","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","- Ga H I6 O18 Rb2 -","1","0.5","","Park, Geonju; Byun, Hye Ryung; Jang, Joon I.; Ok, Kang Min","Dimensionality‒Band Gap‒Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates","Chemistry of Materials","2020","32","8","3621","3630","10.1021/acs.chemmater.0c01054","","","0.71073","MoKα","","0.0396","0.0392","","","0.0976","0.0978","","","","","","1.266","","","","has coordinates","257099","2020-10-21","18:00:00",""
"4003630","29.824","0.007","12.296","0.002","22.185","0.004","90","","111.789","0.002","90","","7554","3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br2 O8 -","- C40 H50 Br2 O8 -","- C320 H400 Br16 O64 -","8","2","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.6525","","","0.0999","0.0907","","","0.2364","0.2426","","","","","","1.107","","","","has coordinates,has disorder","257103","2020-10-21","18:00:00",""
"4003631","18.775","0.003","12.5243","0.0019","16.115","0.003","90","","92.208","0.006","90","","3786.5","1.1","173","2","172.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br2 O8 -","- C40 H50 Br2 O8 -","- C160 H200 Br8 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.71073","MoKα","","0.1542","0.0622","","","0.1428","0.1918","","","","","","0.953","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003632","15.3015","0.0005","22.8272","0.0006","18.6041","0.0005","90","","110.21","0.001","90","","6098.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 O8 -","- C72 H78 O8 -","- C288 H312 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","0.71073","MoKα","","0.1274","0.0757","","","0.1864","0.2308","","","","","","1.014","","","","has coordinates,has disorder","257103","2020-10-21","18:00:00",""
"4003633","18.2924","0.0007","23.5585","0.0008","59.258","0.002","90","","90","","90","","25536.7","1.6","170","2","170.02","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C72 H78 F6 O8 Sb -","- C72 H78 F6 O8 Sb -","- C1152 H1248 F96 O128 Sb16 -","16","0.5","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","1.34139","GaKα","","0.1524","0.0876","","","0.2448","0.2937","","","","","","1.024","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003634","14.4186","0.0006","26.1598","0.001","16.3989","0.0007","90","","107.052","0.003","90","","5913.5","0.4","173","2","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H78 O8 -","- C72 H78 O8 -","- C288 H312 O32 -","4","1","","Guo, Jing; Zhou, Cong; Xie, Sheng; Luo, Shenglian; Gopalakrishna, Tullimilli Y.; Sun, Zhe; Jouha, Jabrane; Wu, Jishan; Zeng, Zebing","Large Aromatic Hydrocarbon Radical Cation with Global Aromaticity and State-Associated Magnetic Activity","Chemistry of Materials","2020","32","14","5927","5936","10.1021/acs.chemmater.9b05099","","","1.34139","GaKα","","0.2423","0.0974","","","0.2286","0.3278","","","","","","0.98","","","","has coordinates","257103","2020-10-21","18:00:00",""
"4003644","10.009","0.004","16.663","0.008","14.61","0.006","90","","106.65","0.03","90","","2334.5","1.8","100","2","100.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H16 Cl2.667 N12 Zn3.267 -","- C24 H16 Cl2.66667 N12 Zn3.26667 -","- C72 H48 Cl8 N36 Zn9.8 -","3","0.75","","Mian, Mohammad Rasel; Islamoglu, Timur; Afrin, Unjila; Goswami, Subhadip; Cao, Ran; Kirlikovali, Kent O.; Hall, Morgan G.; Peterson, Gregory W.; Farha, Omar K.","Catalytic Degradation of an Organophosphorus Agent at Zn‒OH Sites in a Metal‒Organic Framework","Chemistry of Materials","2020","32","16","6998","7004","10.1021/acs.chemmater.0c02373","","","1.54184","CuKα","","0.0973","0.084","","","0.232","0.2464","","","","","","1.0994","","","","has coordinates","257101","2020-10-21","18:00:00",""
"4003658","27.953","0.004","27.953","","9.9004","0.0019","90","","90","","120","","6699.5","1.6","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La41.44 Mo7.56 O85.12 -","- La41.4436 Mo7.55644 O85.1211 -","- La124.331 Mo22.6693 O255.363 -","3","0.0833333","","López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.","Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity","Chemistry of Materials","2020","32","16","7052","7062","10.1021/acs.chemmater.0c02673","powder diffraction","neutron","1.1545","","","","","","","","","0.04363","","3.18","","","","","","","has coordinates","257102","2020-10-21","18:00:00",""
"4003659","20.4941","0.0022","20.4941","","9.5181","0.0011","90","","90","","120","","3462.1","0.5","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- La21.17 Mo3.83 O44.88 -","- La21.1668 Mo3.8332 O44.8842 -","- La63.5004 Mo11.4996 O134.653 -","3","0.0833333","","López-Vergara, Adrián; Vizcaíno-Anaya, Lucía; Porras-Vázquez, José M.; Baldinozzi, Gianguido; Santos-Gómez, Lucía dos; Canales-Vazquez, Jesús; Marrero-López, David; Losilla, Enrique R.","Unravelling Crystal Superstructures and Transformations in the La6‒xMoO12−δ (0.6 ≤ x ≤ 3.0) Series: A System with Tailored Ionic/Electronic Conductivity","Chemistry of Materials","2020","32","16","7052","7062","10.1021/acs.chemmater.0c02673","powder diffraction","neutron","1.1545","","","","","","","","","0.0654","","2.7","","","","","","","has coordinates","257102","2020-10-21","18:00:00",""
"4003674","9.696","0.002","14.231","0.003","14.463","0.003","61.9","0.03","80.4","0.01","81.798","0.01","1731","0.8","338","","338.01","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","","0.0993","0.0669","","","0.1744","0.1976","","","","","","1.028","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003675","12.0252","0.0007","11.2377","0.0008","12.8272","0.0007","90","","107.647","0.005","90","","1651.84","0.18","293","2","292.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","K-L~3~","0.046","0.0435","","","0.1264","0.1298","","","","","","1.042","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003676","10.6975","0.0018","15.393","0.003","13.243","0.002","90","","106.48","0.012","90","","2091.1","0.6","400","","400","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","1.54178","CuKα","","0.101","0.0938","","","0.3217","0.3423","","","","","","1.513","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003677","10.8057","0.001","15.6397","0.0011","12.2854","0.0012","90","","103.71","0.007","90","","2017.1","0.3","292.95","","292.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","1.54178","CuKα","","0.0471","0.0451","","","0.1331","0.1358","","","","","","1.053","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003678","11.905","0.004","10.908","0.003","12.779","0.004","90","","106.98","0.009","90","","1587.1","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","K-L~3~","0.0449","0.0382","","","0.1017","0.1076","","","","","","1.033","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003679","11.435","0.004","12.244","0.004","12.327","0.004","75.535","0.016","89.055","0.016","84.774","0.019","1664.2","1","250","","250.01","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0673","0.0463","","","0.1141","0.1252","","","","","","1.037","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003680","10.567","0.003","10.408","0.003","14.788","0.004","90","","95.028","0.012","90","","1620.1","0.8","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Nifedipine","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","","0.71073","MoKα","","0.037","0.0355","","","0.0981","0.0994","","","","","","1.061","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003681","10.784","0.006","15.647","0.01","11.918","0.007","90","","102.459","0.014","90","","1964","2","100.01","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","K-L~3~","0.0482","0.0403","","","0.1085","0.1138","","","","","","1.064","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003682","11.4502","0.0005","12.3005","0.0006","12.3562","0.0008","75.627","0.01","89.094","0.006","84.933","0.007","1679.19","0.17","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O5.9995 -","- C68 H72 N8 O23.998 -","4","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","1.54178","CuKα","","0.0474","0.0438","","","0.1181","0.1216","","","","","","1.036","","","","has coordinates,has disorder","257104","2020-10-21","18:00:00",""
"4003683","10.929","0.003","10.304","0.004","14.812","0.005","90","","93.166","0.017","90","","1665.5","1","297","2","297.44","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0868","0.0473","","","0.1076","0.1255","","","","","","1.031","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003684","19.065","0.006","11.506","0.004","15.109","0.005","90","","108.962","0.018","90","","3134.5","1.8","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C136 H144 N16 O48 -","8","2","","Gui, Yue; Yao, Xin; Guzei, Ilia A.; Aristov, Michael M.; Yu, Junguang; Yu, Lian","A Mechanism for Reversible Solid-State Transitions Involving Nitro Torsion","Chemistry of Materials","2020","32","18","7754","7765","10.1021/acs.chemmater.0c02209","","x-ray","0.71073","MoKα","","0.0613","0.0576","","","0.1581","0.1603","","","","","","1.129","","","","has coordinates","257104","2020-10-21","18:00:00",""
"4003695","11.4701","0.0004","11.2676","0.0004","10.4804","0.0004","90","","90","","90","","1354.49","0.08","293","","293","","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- Ga3 La2 O7.5 -","- Ga3 La2 O7.5 -","- Ga24 La16 O60 -","8","1","","Fan, Jintai; Sarou-Kanian, Vincent; Yang, Xiaoyan; Diaz-Lopez, Maria; Fayon, Franck; Kuang, Xiaojun; Pitcher, Michael J.; Allix, Mathieu","La2Ga3O7.5: A Metastable Ternary Melilite with a Super-Excess of Interstitial Oxide Ions Synthesized by Direct Crystallization of the Melt","Chemistry of Materials","2020","32","20","9016","9025","10.1021/acs.chemmater.0c03441","powder diffraction","x-ray","0.41273","","","0.019","0.019","","0.0239","0.0239","","","","1.75","","","","","","","has coordinates","258706","2020-11-04","01:19:33",""
"4003704","12.3556","0.0012","11.0024","0.0011","7.2861","0.0007","90","","90","","90","","990.48","0.17","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Se2 -","- Ba F2 Mo2 O10 Se2 -","- Ba4 F8 Mo8 O40 Se8 -","4","0.5","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response","Chemistry of Materials","2020","32","22","9688","9695","10.1021/acs.chemmater.0c03353","","","0.71073","MoKα","","0.0394","0.039","","","0.1013","0.1016","","","","","","1.093","","","","has coordinates","259513","2020-12-04","02:15:51",""
"4003705","12.5605","0.0007","11.0264","0.0006","7.2858","0.0006","90","","90","","90","","1009.06","0.11","293","2","293","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- Ba F2 Mo2 O10 Te2 -","- Ba F2 Mo2 O10 Te2 -","- Ba4 F8 Mo8 O40 Te8 -","4","0.5","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","Ba(MoO2F)2(QO3)2 (Q = Se, Te): Partial Fluorination of MoO6 Octahedra Enabling Two Polar Solids with Strong and Phase Matchable SHG Response","Chemistry of Materials","2020","32","22","9688","9695","10.1021/acs.chemmater.0c03353","","","0.71073","MoKα","","0.0249","0.0235","","","0.0559","0.0568","","","","","","1.053","","","","has coordinates","259513","2020-12-04","02:15:51",""
"4003830","7.534","0.0003","8.0865","0.0004","13.015","0.0005","101.614","0.004","96.329","0.003","103.651","0.004","744.31","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 Cu2 I3 N4 -","- C7 H15 Cu2 I3 N4 -","- C14 H30 Cu4 I6 N8 -","2","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0286","0.0218","","","0.0484","0.0491","","","","","","0.953","","","","has coordinates","260416","2021-01-04","03:07:18",""
"4003831","8.8107","0.0003","11.8934","0.0004","15.5661","0.0006","90","","97.24","0.004","90","","1618.15","0.1","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H19 Cu2 I3 N4 -","- C9 H19 Cu2 I3 N4 -","- C36 H76 Cu8 I12 N16 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0195","0.017","","","0.0309","0.0314","","","","","","1.179","","","","has coordinates","260416","2021-01-04","03:07:21",""
"4003832","8.53445","0.00017","18.4144","0.0004","13.5504","0.0004","90","","93.443","0.002","90","","2125.69","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cu4 I5 N5 -","- C9 H18 Cu4 I5 N5 -","- C36 H72 Cu16 I20 N20 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing","Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds","Chemistry of Materials","2020","32","24","10708","10718","10.1021/acs.chemmater.0c03984","","x-ray","0.71073","MoKα","","0.0339","0.0218","","","0.0305","0.0319","","","","","","0.909","","","","has coordinates","260416","2021-01-04","03:07:21",""
"4003833","5.6326","0.0011","5.6326","0.0011","8.0606","0.0018","90","","90","","120","","221.47","0.08","298","","298","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- O8 P2 Rb3 Yb -","- O7.9998 P2 Rb3 Yb -","- O7.9998 P2 Rb3 Yb -","1","0.0833333","","Guo, Shu; Zhong, Ruidan; Górnicka, Karolina; Klimczuk, Tomasz; Cava, R. J.","Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2","Chemistry of Materials","2020","32","24","10670","10677","10.1021/acs.chemmater.0c03850","","","0.71073","MoKα","","0.0194","0.0182","","","0.0454","0.0458","","","","","","1.173","","","","has coordinates,has disorder","260417","2021-01-04","03:07:28",""
"4003834","10.392","0.002","11.488","0.002","10.99","0.002","90","","107.422","0.007","90","","1251.8","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 F3 K N O3 S -","- C7 H13 F3 K N O3 S -","- C28 H52 F12 K4 N4 O12 S4 -","4","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.1583","0.0814","","","0.1689","0.1983","","","","","","1.035","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003835","18.2533","0.0014","32.815","0.003","32.965","0.003","90","","90","","90","","19745","3","100","","100","","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C7.25 H11.5 Cl0.5 F3 K N O3 S -","- C7.25 H11.5 Cl0.5 F3 K N O3 S -","- C464 H736 Cl32 F192 K64 N64 O192 S64 -","64","2","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","","0.71073","MoKα","","0.0639","0.0392","","","0.094","0.1061","","","","","","1.047","","","","has coordinates,has disorder","260418","2021-01-04","03:07:43",""
"4003836","10.2695","0.0006","10.8187","0.0006","14.2434","0.0009","87.874","0.002","74.624","0.002","86.247","0.002","1522.24","0.16","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 K N O3 S -","- C5 H9 F3 K N O3 S -","- C30 H54 F18 K6 N6 O18 S6 -","6","3","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.0277","0.0218","","","0.0508","0.0542","","","","","","1.029","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003837","6.4411","0.0006","8.8961","0.001","11.4897","0.0012","87.753","0.004","73.755","0.003","81.989","0.003","625.91","0.11","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C7 H13 F3 K N O4 S -","- C7 H13 F3 K N O4 S -","- C14 H26 F6 K2 N2 O8 S2 -","2","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","","0.71073","MoKα","","0.0281","0.0258","","","0.0608","0.0614","","","","","","1.074","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003838","7.344","0.0005","7.7957","0.0005","9.1286","0.0006","96.33","0.002","90.086","0.002","95.585","0.002","516.94","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 F3 K N O4 S -","- C5 H9 F3 K N O4 S -","- C10 H18 F6 K2 N2 O8 S2 -","2","1","","Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying","Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures","Chemistry of Materials","2020","32","24","10423","10434","10.1021/acs.chemmater.0c02983","","x-ray","0.71073","MoKα","","0.0276","0.0221","","","0.0508","0.0548","","","","","","1.115","","","","has coordinates","260418","2021-01-04","03:07:43",""
"4003839","10.519","0.0012","17.848","0.002","11.6429","0.0013","90","","94.87","0.001","90","","2178","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.67 H2.89 N0.22 O0.22 S0.22 -","- C2.66667 H2.88889 N0.222222 O0.222222 S0.222222 -","- C96 H104 N8 O8 S8 -","36","9","","Zhang, Bingjie; Zhang, Yueyan; Yang, Xiaodong; Li, Guoping; Zhang, Sikun; Zhang, Yanfeng; Yu, Demei; Liu, Zishun; He, Gang","Isometric Thionated Naphthalene Diimides As Organic Cathodes for High Capacity Lithium Batteries","Chemistry of Materials","2020","32","24","10575","10583","10.1021/acs.chemmater.0c03661","","","0.71073","MoKα","","0.0464","0.0379","","","0.1016","0.1083","","","","","","1.03","","","","has coordinates","260419","2021-01-04","03:07:56",""
"4003840","9.90381","0.00009","9.90381","0.00009","7.44188","0.00009","90","","90","","120","","632.147","0.011","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- F0.9 H0.1 Mn3 O12.1 Sr5 -","- F0.9 H0.102 Mn3 O12.102 Sr5 -","- F1.8 H0.204 Mn6 O24.204 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.041","2.2","","","","","","","has coordinates","260420","2021-01-04","03:08:07",""
"4003841","9.90213","0.00011","9.90213","0.00011","7.44471","0.0001","90","","90","","120","","632.173","0.013","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- F0.83 Mn2.826 O12 Si0.174 Sr5 -","- F0.825 Mn2.826 O12 Si0.174 Sr5 -","- F1.65 Mn5.652 O24 Si0.348 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.3994","2","","","","","","","has coordinates","260420","2021-01-04","03:08:12",""
"4003842","9.95283","0.00009","9.95283","0.00009","7.45254","0.00009","90","","90","","120","","639.334","0.011","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","","","","- H Mn3 O13 Sr5 -","- H Mn3 O13 Sr5 -","- H2 Mn6 O26 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.9519","2","","","","","","","has coordinates","260420","2021-01-04","03:08:15",""
"4003843","9.9572","0.00016","9.9572","0.00016","7.44779","0.00016","90","","90","","120","","639.49","0.02","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- H0.84 Mn2.841 O12.84 Si0.159 Sr5 -","- H0.842 Mn2.841 O12.842 Si0.159 Sr5 -","- H1.684 Mn5.682 O25.684 Si0.318 Sr10 -","2","0.166667","","Varela, Aurea; Gómez-Recio, Isabel; Serrador, Laura; Hernando, María; Matesanz, Emilio; Torres-Pardo, Almudena; Fernández-Díaz, María Teresa; Martínez, Jose L.; Gonell, Francisco; Rousse, Gwenaelle; Sanchez, Clément; Laberty-Robert, Christel; Portehault, David; González-Calbet, José M.; Parras, Marina","Hydroxyapatites as Versatile Inorganic Hosts of Unusual Pentavalent Manganese Cations","Chemistry of Materials","2020","32","24","10584","10593","10.1021/acs.chemmater.0c03673","powder diffraction","","1.594","neutron","","","","","","","","","2.731","1.6","","","","","","","has coordinates","260420","2021-01-04","03:08:15",""