# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:47:30+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemistry of Materials') AND volume = 28 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
"4002641","5.5526","0.00005","5.5526","0.00005","6.07271","0.00008","90","","90","","90","","187.23","0.003","295","","295","","","","100","","","","","3","P -4 n 2","P -4 -2n","118","δ-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B4 H16 Mn2 -","2","0.25","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.82577","synchrotron","","","","","","","","","5.2091","3.96","","","","","","","has coordinates","175776","2020-10-21","18:00:00",""
"4002642","7.85254","0.00006","7.85254","0.00006","12.14548","0.00017","90","","90","","90","","748.919","0.013","295","","295","","","","100","","","","","3","I 41/a c d :2","-I 4bd 2c","142","δ-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B16 H64 Mn8 -","8","0.25","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.82577","synchrotron","","","","","","","","","5.1809","4.01","","","","","","","has coordinates","175776","2020-10-21","18:00:00",""
"4002643","12.638","0.015","9.321","0.01","9.205","0.017","90","","90","","90","","1084","3","295","","295","","","","11800000","","","","","3","F d d d :2","-F 2uv 2vw","70","δ'-manganese borohydride","manganese ditetrahydroborate","","- B2 H8 Mn -","- B2 H8 Mn -","- B32 H128 Mn16 -","16","0.5","","Tumanov, Nikolay A.; Roedern, Elsa; Łodziana, Zbigniew; Nielsen, Dorrit B.; Jensen, Torben R.; Talyzin, Alexandr V.; Černý, Radovan; Chernyshov, Dmitry; Dmitriev, Vladimir; Palasyuk, Taras; Filinchuk, Yaroslav","High-Pressure Study of Mn(BH4)2Reveals a Stable Polymorph with High Hydrogen Density","Chemistry of Materials","2016","28","1","274","","10.1021/acs.chemmater.5b04102","powder diffraction","","0.7092","synchrotron","","","","","","","","","10.6194","53.85","","","","","","","has coordinates","270525","2021-11-08","17:37:12",""
"4002644","13.0754","0.0008","11.4619","0.0007","15.1442","0.001","90","","112.377","0.0008","90","","2098.7","0.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cd N2 Te2 -","- C18 H26 Cd N2 Te2 -","- C72 H104 Cd4 N8 Te8 -","4","1","","Campos, Michael P.; Owen, Jonathan S.","Synthesis and Surface Chemistry of Cadmium Carboxylate Passivated CdTe Nanocrystals from Cadmiumbis(Phenyltellurolate)","Chemistry of Materials","2016","28","1","227","","10.1021/acs.chemmater.5b03914","","","0.71073","MoKα","","0.0206","0.0184","","","0.0424","0.0432","","","","","","1.105","","","","has coordinates","175777","2020-10-21","18:00:00",""
"4002645","13.6287","0.0005","13.9657","0.0004","26.6535","0.0019","85.319","0.006","89.286","0.006","86.172","0.006","5044.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H43 N6 O14 Zn3 -","- C60 H43 N6 O14 Zn3 -","- C120 H86 N12 O28 Zn6 -","2","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.0961","0.0779","","","0.2361","0.2662","","","","","","1.105","","","","has coordinates,has disorder","175778","2020-10-21","18:00:00",""
"4002646","44.6954","0.0009","44.6954","0.0009","26.7782","0.0019","90","","90","","120","","46327","4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C48 H36 N4 O12 Zn3 -","- C48 H36 N4 O12 Zn3 -","- C864 H648 N72 O216 Zn54 -","18","0.5","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.1507","0.0983","","","0.2875","0.3463","","","","","","1.11","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002647","32.8962","0.0008","32.8962","0.0008","40.309","0.003","90","","90","","120","","37777","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H26 N3.33 O8 Zn2 -","- C36 H26 N3.33333 O8 Zn2 -","- C648 H468 N60 O144 Zn36 -","18","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.124","0.1083","","","0.3194","0.3445","","","","","","1.228","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002648","32.8817","0.0005","32.8817","0.0005","40.272","0.003","90","","90","","120","","37709","3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C35.75 H25.8 N3.28 O8 Zn2 -","- C35.745 H25.796 N3.28233 O8 Zn2 -","- C643.41 H464.328 N59.082 O144 Zn36 -","18","1","","Lee, Seok J.; Doussot, Celine; Baux, Anthony; Liu, Lujia; Jameson, Geoffrey B.; Richardson, Christopher; Pak, Joshua J.; Trousselet, Fabien; Coudert, François-Xavier; Telfer, Shane G.","Multicomponent Metal‒Organic Frameworks as Defect-Tolerant Materials","Chemistry of Materials","2016","28","1","368","","10.1021/acs.chemmater.5b04306","","","1.54178","CuKα","","0.0931","0.0775","","","0.2572","0.2665","","","","","","1.128","","","","has coordinates","175778","2020-10-21","18:00:00",""
"4002650","28.9416","0.0004","28.9416","0.0004","28.9416","0.0004","90","","90","","90","","24242","0.6","100","2","100","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","UHM-25-Ala-Boc","","","- C36 H32 Cu2 N O13 -","- C32.625 H25.125 Cu2 N O11.5 -","- C391.5 H301.5 Cu24 N12 O138 -","12","0.5","","Sartor, Michael; Stein, Timo; Hoffmann, Frank; Fröba, Michael","A New Set of Isoreticular, Homochiral Metal‒Organic Frameworks with ucp Topology","Chemistry of Materials","2016","28","2","519","","10.1021/acs.chemmater.5b03723","","","1.54178","CuKα","","0.0857","0.0772","","","0.2309","0.2414","","","","","","1.097","","","","has coordinates","175774","2020-10-21","18:00:00",""
"4002651","29.0261","0.0006","29.0261","0.0006","29.0261","0.0006","90","","90","","90","","24454.9","0.9","100","2","100","2","","","","","","","","5","P 4 3 2","P 4 2 3","207","UHM-25-Pro","","","- C33 H27 Cu2 N O11 -","- C33 H27 Cu2 N O11 -","- C396 H324 Cu24 N12 O132 -","12","0.5","","Sartor, Michael; Stein, Timo; Hoffmann, Frank; Fröba, Michael","A New Set of Isoreticular, Homochiral Metal‒Organic Frameworks with ucp Topology","Chemistry of Materials","2016","28","2","519","","10.1021/acs.chemmater.5b03723","","","1.54184","CuKα","","0.149","0.1208","","","0.3108","0.3364","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4002653","12.7943","0.0008","6.3019","0.0004","10.577","0.0005","90","","90","","90","","852.81","0.09","293","","293","","","","","","","","","6","P n a n","-P 2n 2bc","52","","","","- F K0.119 Li0.7 O4 P V -","- F K0.119 Li0.7 O4 P V -","- F8 K0.952 Li5.6 O32 P8 V8 -","8","1","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","","electron","0.0251","electron","","0.3257","0.2502","","","0.2521","0.2544","","","","11.34","11.34","8.38","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002654","12.82","0.0003","6.39516","0.00014","10.61151","0.00017","90","","90","","90","","869.99","0.03","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F K O4 P V -","- F K O4 P V -","- F8 K8 O32 P8 V8 -","8","2","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","powder diffraction","x-ray","1.5418","CuKa","","0.0319","0.0271","","0.0304","0.0281","","","","1.51","","","","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002655","12.928","0.0008","6.2741","0.0004","10.6536","0.0006","90","","90","","90","","864.13","0.09","293","","293","","","","","","","","","5","P n a n","-P 2n 2bc","52","","","","- F K0.173 O4 P V -","- F K0.173 O4 P V -","- F8 K1.384 O32 P8 V8 -","8","1","","Fedotov, Stanislav S.; Khasanova, Nellie R.; Samarin, Aleksandr Sh.; Drozhzhin, Oleg A.; Batuk, Dmitry; Karakulina, Olesia M.; Hadermann, Joke; Abakumov, Artem M.; Antipov, Evgeny V.","AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries","Chemistry of Materials","2016","28","2","411","","10.1021/acs.chemmater.5b04065","","electron","0.0251","electron","","0.2139","0.2023","","","0.2181","0.2183","","","","12.47","12.47","11.93","","","","has coordinates","288310","2023-12-14","13:40:52",""
"4002656","6.405","0.0006","6.405","0.0006","6.1427","0.0006","90","","90","","120","","218.24","0.04","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Al1.62 Na1.62 Sn4.38 -","- Al1.62 Na1.62 Sn4.38 -","- Al1.62 Na1.62 Sn4.38 -","1","0.0833333","","Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki","Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24)","Chemistry of Materials","2016","28","2","601","","10.1021/acs.chemmater.5b04239","","","0.71075","MoKα","","0.012","0.0108","","","0.0216","0.0219","","","","","","1.128","","","","has coordinates","208253","2020-10-21","18:00:00",""
"4002657","6.3984","0.0003","6.3984","0.0003","6.1529","0.0003","90","","90","","120","","218.149","0.018","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Al1.76 Na1.76 Sn4.24 -","- Al1.758 Na1.758 Sn4.242 -","- Al1.758 Na1.758 Sn4.242 -","1","0.0833333","","Kanno, Masahiro; Yamada, Takahiro; Yamane, Hisanori; Nagai, Hideaki","Synthesis, Crystal Structure, and Thermoelectric Properties of Na2+xAl2+xSn4‒x(x= −0.38, ‒0.24)","Chemistry of Materials","2016","28","2","601","","10.1021/acs.chemmater.5b04239","","","0.71075","MoKα","","0.0134","0.0126","","","0.0263","0.0266","","","","","","1.119","","","","has coordinates","208253","2020-10-21","18:00:00",""
"4002658","5.1965","0.0002","5.1965","0.0002","6.3464","0.0003","90","","90","","90","","171.376","0.012","1023","","1023","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.0199","0.0136","","0.0191","0.0132","","","0.0196","1.15","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002659","5.15885","0.00017","5.15885","0.00017","6.27","0.0003","90","","90","","90","","166.868","0.011","345","","345","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.021","0.0177","","0.0196","0.0193","","","0.028","1.39","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002660","5.2252","0.0002","5.2252","0.0002","6.4038","0.0003","90","","90","","90","","174.841","0.013","1475","","1475","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","γ-lithium aluminate","γ-lithium aluminium dioxide","","- Al Li O2 -","- Al Li O2 -","- Al4 Li4 O8 -","4","0.5","","Wiedemann, Dennis; Nakhal, Suliman; Rahn, Johanna; Witt, Elena; Islam, Mazharul M.; Zander, Stefan; Heitjans, Paul; Schmidt, Harald; Bredow, Thomas; Wilkening, Martin; Lerch, Martin","Unravelling Ultraslow Lithium-Ion Diffusion in γ-LiAlO2: Experiments with Tracers, Neutrons, and Charge Carriers","Chemistry of Materials","2016","28","3","915","","10.1021/acs.chemmater.5b04608","powder diffraction","neutron","1.7982","neutron","","0.0167","0.0115","","0.0132","0.012","","","0.016","1.2","","","","","","","has coordinates","177394","2020-10-21","18:00:00",""
"4002661","9.42424","0.00012","4.05707","0.00005","13.34148","0.00018","90","","121.955","0.0007","90","","432.809","0.01","295","","295","","","","101.3","","","","","4","P 1 21/c 1","-P 2ybc","14","Strontium Oxide Antimony Selenide","Distrontium dioxide diantimony triselenide","","- O2 Sb2 Se3 Sr2 -","- O2 Sb2 Se3 Sr2 -","- O4 Sb4 Se6 Sr4 -","2","0.5","","Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M.","Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3","Chemistry of Materials","2016","28","3","890","","10.1021/acs.chemmater.5b04536","","x-ray","1.5406","CuKα","CuK-L~3~","","","","","","","","","1.67","","","","","","","has coordinates","177393","2020-10-21","18:00:00",""
"4002662","9.49954","0.00004","4.084794","0.000016","13.43734","0.00005","90","","122.861","0.0002","90","","437.984","0.003","295","","295","","","","101.3","","","","","4","P 1 21/c 1","-P 2ybc","14","Strontium Oxide Bismuth Selenide","Distrontium dioxide dibismuth triselenide","","- Bi2 O2 Se3 Sr2 -","- Bi2 O2 Se3 Sr2 -","- Bi4 O4 Se6 Sr4 -","2","0.5","","Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M.","Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3","Chemistry of Materials","2016","28","3","890","","10.1021/acs.chemmater.5b04536","","x-ray","1.5406","CuKα","CuK-L~3~","","","","","","","","","1.7","","","","","","","has coordinates","177393","2020-10-21","18:00:00",""
"4002663","9.82047","0.00006","4.19033","0.00003","13.90442","0.00008","90","","123.692","0.0003","90","","476.073","0.006","295","","295","","","","101.3","","","","","4","P 1 21/c 1","-P 2ybc","14","Barium Oxide Bismuth Selenide","Dibarium dioxide dibismuth triselenide","","- Ba2 Bi2 O2 Se3 -","- Ba2 Bi2 O2 Se3 -","- Ba4 Bi4 O4 Se6 -","2","0.5","","Panella, Jessica R.; Chamorro, Juan; McQueen, Tyrel M.","Synthesis and Structure of Three New Oxychalcogenides: A2O2Bi2Se3(A = Sr, Ba) and Sr2O2Sb2Se3","Chemistry of Materials","2016","28","3","890","","10.1021/acs.chemmater.5b04536","","x-ray","1.5406","CuKα","CuK-L~3~","","","","","","","","","1.78","","","","","","","has coordinates","177393","2020-10-21","18:00:00",""
"4002664","22.415","0.003","22.415","0.003","22.415","0.003","90","","90","","90","","11262","3","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Calcium lithium nitridoaluminate","","","- Al156 Ca75.04 Li42.05 N220 -","- Al156 Ca75.04 Li42.048 N220 -","- Al312 Ca150.08 Li84.096 N440 -","2","0.0104167","","Wagatha, Peter; Pust, Philipp; Weiler, Volker; Wochnik, Angela S.; Schmidt, Peter J.; Scheu, Christina; Schnick, Wolfgang","Ca18.75Li10.5[Al39N55]:Eu2+—Supertetrahedron Phosphor for Solid-State Lighting","Chemistry of Materials","2016","28","4","1220","","10.1021/acs.chemmater.5b04929","","","0.71073","MoKα","","0.0414","0.0257","","","0.0569","0.0604","","","","","","0.991","","","","has coordinates","177392","2020-10-21","18:00:00",""
"4002665","30.927","0.004","26.416","0.003","31.341","0.004","90","","90","","90","","25605","5","291","2","291","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C210 H175 Au25 Cl2 F6 P10 Sb Se5 -","- C210 H175 Au25 Cl2 F6 P10 Sb Se5 -","- C840 H700 Au100 Cl8 F24 P40 Sb4 Se20 -","4","0.5","","Song, Yongbo; Jin, Shan; Kang, Xi; Xiang, Ji; Deng, Huijuan; Yu, Haizhu; Zhu, Manzhou","How a Single Electron Affects the Properties of the “Non-Superatom” Au25Nanoclusters","Chemistry of Materials","2016","28","8","2609","","10.1021/acs.chemmater.5b04655","","","0.71073","MoKα","","0.0501","0.0503","","","0.1211","0.1215","","","","","","1.065","","","","has coordinates","182490","2020-10-21","18:00:00",""
"4002666","27.378","0.002","29.361","0.002","40.7368","0.0016","90","","133.273","0.002","90","","23842","3","291","2","291","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C234 H195 Au25 B Cl2 F6 P10 Sb Se5 -","- C234 H195 Au25 B Cl2 F6 P10 Sb Se5 -","- C936 H780 Au100 B4 Cl8 F24 P40 Sb4 Se20 -","4","1","","Song, Yongbo; Jin, Shan; Kang, Xi; Xiang, Ji; Deng, Huijuan; Yu, Haizhu; Zhu, Manzhou","How a Single Electron Affects the Properties of the “Non-Superatom” Au25Nanoclusters","Chemistry of Materials","2016","28","8","2609","","10.1021/acs.chemmater.5b04655","","","0.71073","MoKα","","0.0564","0.0549","","","0.1375","0.1379","","","","","","1.009","","","","has coordinates","182490","2020-10-21","18:00:00",""
"4002667","9.1111","0.0003","8.6338","0.0003","28.408","0.001","90","","90","","90","","2234.67","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0183","0.0173","","","0.0428","0.0435","","","","","","1.18","","","","has coordinates","184455","2020-10-21","18:00:00",""
"4002668","8.7068","0.001","15.9947","0.0019","16.7613","0.0019","73.823","0.006","85.57","0.005","88.01","0.006","2234.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 I7 N3 Pb2 -","- C30 H48 I7 N3 Pb2 -","- C60 H96 I14 N6 Pb4 -","2","1","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0949","0.0758","","","0.2021","0.2252","","","","","","1.184","","","","has coordinates","184456","2020-10-21","18:00:00",""
"4002669","8.5278","0.0008","29.824","0.003","33.208","0.003","90","","90","","90","","8445.9","1.4","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C54 H84 I14 N6 Pb4 -","- C54 H84 I14 N6 Pb4 -","- C216 H336 I56 N24 Pb16 -","4","1","","Kamminga, Machteld E.; Fang, Hong-Hua; Filip, Marina R.; Giustino, Feliciano; Baas, Jacob; Blake, Graeme R.; Loi, Maria Antonietta; Palstra, Thomas T. M.","Confinement Effects in Low-Dimensional Lead Iodide Perovskite Hybrids","Chemistry of Materials","2016","28","13","4554","","10.1021/acs.chemmater.6b00809","","","0.71073","MoKα","","0.0212","0.0202","","","0.0472","0.0478","","","","","","1.114","","","","has coordinates","184457","2020-10-21","18:00:00",""
"4002670","4.0576","0.0005","13.6319","0.0016","21.547","0.003","90","","90","","90","","1191.8","0.3","90","2","90","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl La3 P6 Zn4 -","- Cl La3 P6 Zn4 -","- Cl4 La12 P24 Zn16 -","4","0.25","","Wang, Jian; Kaseman, Derrick; Lee, Kathleen; Sen, Sabyasachi; Kovnir, Kirill","Enclathration of X@La4Tetrahedra in Channels of Zn‒P Frameworks in La3Zn4P6X (X = Cl, Br)","Chemistry of Materials","2016","28","13","4741","","10.1021/acs.chemmater.6b01752","","","0.71073","MoKα","","0.0444","0.0313","","","0.0598","0.0644","","","","","","1.067","","","","has coordinates","184804","2020-10-21","18:00:00",""
"4002671","17.6943","0.001","17.6943","0.001","13.2921","0.0008","90","","90","","120","","3604.1","0.4","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C24 H92 Ca Cu6 N6 O53 -","- C24 H87 Ca Cu6 N6 O52.9999 -","- C48 H174 Ca2 Cu12 N12 O106 -","2","0.333333","","Grancha, Thais; Ferrando-Soria, Jesús; Cano, Joan; Amorós, Pedro; Seoane, Beatriz; Gascon, Jorge; Bazaga-García, Montse; Losilla, Enrique R.; Cabeza, Aurelio; Armentano, Donatella; Pardo, Emilio","Insights into the Dynamics of Grotthuss Mechanism in a Proton-Conducting ChiralbioMOF","Chemistry of Materials","2016","28","13","4608","","10.1021/acs.chemmater.6b01286","","","0.71073","MoKα","","0.0452","0.0367","","","0.0966","0.1017","","","","","","1.062","","","","has coordinates","184805","2020-10-21","18:00:00",""
"4002672","10.07782","0.000019","10.07782","0.000019","33.44271","0.00009","90","","90","","120","","2941.48","0.011","293","","293","","","","","","","","","4","P 63 c m","P 6c -2","185","","","perovskite","- Ba14 Mn1.75 O42 Ta10.5 -","- Ba14 Mn1.75333 O42 Ta10.2533 -","- Ba42 Mn5.26 O126 Ta30.76 -","3","0.25","","Tao, Fengqiong; Genevois, Cécile; Lu, Fengqi; Kuang, Xiaojun; Porcher, Florence; Li, Liangju; Yang, Tao; Li, Wenbo; Zhou, Di; Allix, Mathieu","First 14-Layer Twinned Hexagonal Perovskite Ba14Mn1.75Ta10.5O42: Atomic-Scale Imaging of Cation Ordering","Chemistry of Materials","2016","28","13","4686","","10.1021/acs.chemmater.6b01566","","","1.225","","","","","","","","","","","","","","","","","","has coordinates","184806","2020-10-21","18:00:00",""
"4002673","5.818857","0.000007","5.818857","0.000007","33.43938","0.00009","90","","90","","120","","980.538","0.003","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","perovskite","- Ba14 Mn1.75 O42 Ta10.5 -","- Ba14 Mn1.75 O42 Ta10.41 -","- Ba14 Mn1.75 O42 Ta10.41 -","1","0.0416667","","Tao, Fengqiong; Genevois, Cécile; Lu, Fengqi; Kuang, Xiaojun; Porcher, Florence; Li, Liangju; Yang, Tao; Li, Wenbo; Zhou, Di; Allix, Mathieu","First 14-Layer Twinned Hexagonal Perovskite Ba14Mn1.75Ta10.5O42: Atomic-Scale Imaging of Cation Ordering","Chemistry of Materials","2016","28","13","4686","","10.1021/acs.chemmater.6b01566","","","1.225","","","","","","","","","","","","","","","","","","has coordinates","184806","2020-10-21","18:00:00",""
"4002674","10.3179","0.0011","10.3179","0.0011","8.3958","0.0013","90","","90","","120","","774.06","0.17","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- B5 Be2 F O12 Sr3 -","- B4.68 Be2.32 F1.32 O11.68 Sr3 -","- B14.04 Be6.96 F3.96 O35.04 Sr9 -","3","0.166667","","Yu, Na; Wang, Shichao; Ye, Ning; Liang, Fei; Lin, Zheshuai; Luo, Min; Poeppelmeier, Kenneth R.","A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3Groups","Chemistry of Materials","2016","28","13","4563","","10.1021/acs.chemmater.6b01111","","x-ray","0.71073","MoKα","","0.0156","0.0156","","","0.037","0.037","","","","","","1.094","","","","has coordinates","184807","2020-10-21","18:00:00",""
"4002675","7.4676","0.0012","7.4676","0.0012","39.564","0.01","90","","90","","90","","2206.3","0.7","360","2","360","2","","","","","","","","5","I -4","I -4","82","","","","- C3.38 H0.12 Cl Cu N0.25 -","- C3 H8 Cl0.9975 Cu0.25 N0.5 -","- C48 H128 Cl15.96 Cu4 N8 -","16","2","","Ferreira, Cauê F.; Pérez-Cordero, Eduardo E.; Abboud, Khalil A.; Talham, Daniel R.","Reversible Medium-Dependent Solid‒Solid Phase Transformations in Two-Dimensional Hybrid Perovskites","Chemistry of Materials","2016","28","15","5522","","10.1021/acs.chemmater.6b02208","","","0.71073","MoKα","","0.172","0.118","","","0.2876","0.3166","","","","","","2.18","","","","has coordinates,has disorder","186208","2020-10-21","18:00:00",""
"4002676","10.4935","0.0004","10.5081","0.0004","18.6574","0.0007","81.916","0.001","79.455","0.001","88.315","0.001","2002.43","0.13","233","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H32 Cl4 Cu N2 -","- C12 H32 Cl4 Cu N2 -","- C48 H128 Cl16 Cu4 N8 -","4","2","","Ferreira, Cauê F.; Pérez-Cordero, Eduardo E.; Abboud, Khalil A.; Talham, Daniel R.","Reversible Medium-Dependent Solid‒Solid Phase Transformations in Two-Dimensional Hybrid Perovskites","Chemistry of Materials","2016","28","15","5522","","10.1021/acs.chemmater.6b02208","","","0.71073","MoKα","","0.0733","0.0542","","","0.1639","0.1847","","","","","","1.053","","","","has coordinates,has disorder","186209","2020-10-21","18:00:00",""
"4002677","9.7756","0.0008","10.5354","0.0009","14.2909","0.0012","80.888","0.004","87.554","0.004","67.288","0.004","1340.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H72 N2 O2 S6 -","- C58 H72 N2 O2 S6 -","- C58 H72 N2 O2 S6 -","1","0.5","","Huang, Chi-Feng; Wu, San-Lien; Huang, Yi-Fan; Chen, Ying-Cheng; Chang, Shu-Ting; Wu, Tzu-Yi; Wu, Kuan-Yi; Chuang, Wei-Tsung; Wang, Chien-Lung","Packing Principles for Donor‒Acceptor Oligomers from Analysis of Single Crystals","Chemistry of Materials","2016","28","15","5175","","10.1021/acs.chemmater.6b00671","","","0.71073","MoKα","","0.1041","0.0778","","","0.2262","0.2654","","","","","","1.125","","","","has coordinates","186210","2020-10-21","18:00:00",""
"4002678","7.7059","0.0003","18.4574","0.0007","8.7525","0.0003","90","","90","","90","","1244.88","0.08","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H14 Cl4 F2 N2 Pb -","- C4 H14 Cl4 F2 N2 Pb -","- C16 H56 Cl16 F8 N8 Pb4 -","4","0.5","","Lermer, Claudia; Birkhold, Susanne T.; Moudrakovski, Igor L.; Mayer, Peter; Schoop, Leslie M.; Schmidt-Mende, Lukas; Lotsch, Bettina V.","Toward Fluorinated Spacers for MAPI-Derived Hybrid Perovskites: Synthesis, Characterization, and Phase Transitions of (FC2H4NH3)2PbCl4","Chemistry of Materials","2016","28","18","6560","","10.1021/acs.chemmater.6b02151","","","0.71073","MoKα","","0.0184","0.0115","","","0.0232","0.025","","","","","","1.08","","","","has coordinates","186902","2020-10-21","18:00:00",""
"4002679","4.4434","0.0002","11.2688","0.0006","13.7677","0.0007","83.8913","0.0014","81.48","0.0017","83.1354","0.0017","674.11","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H14 Br3 F N2 O Pb -","- C5 H14 Br3 F N2 O Pb -","- C10 H28 Br6 F2 N4 O2 Pb2 -","2","1","","Lermer, Claudia; Birkhold, Susanne T.; Moudrakovski, Igor L.; Mayer, Peter; Schoop, Leslie M.; Schmidt-Mende, Lukas; Lotsch, Bettina V.","Toward Fluorinated Spacers for MAPI-Derived Hybrid Perovskites: Synthesis, Characterization, and Phase Transitions of (FC2H4NH3)2PbCl4","Chemistry of Materials","2016","28","18","6560","","10.1021/acs.chemmater.6b02151","","","0.71073","MoKα","","0.0333","0.0247","","","0.0498","0.0523","","","","","","1.052","","","","has coordinates","186902","2020-10-21","18:00:00",""
"4002680","27.88","0.003","27.88","0.003","16.0459","0.0018","90","","90","","120","","10801","2","173","2","173","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","Pan004","","","- C48 H96 Bi7 I24 Na3 O12 -","- Bi7 I24 Na3 -","- Bi21 I72 Na9 -","3","0.0833333","","Hamdeh, Umar H.; Nelson, Rainie D.; Ryan, Bradley J.; Bhattacharjee, Ujjal; Petrich, Jacob W.; Panthani, Matthew G.","Solution-Processed BiI3Thin Films for Photovoltaic Applications: Improved Carrier Collection via Solvent Annealing","Chemistry of Materials","2016","28","18","6567","","10.1021/acs.chemmater.6b02347","","","0.71073","MoKα","","0.0699","0.036","","","0.1073","0.161","","","","","","0.731","","","","has coordinates","286259","2023-09-07","05:55:28",""
"4002681","15.1588","0.001","30.997","0.002","15.7999","0.001","90","","117.826","0.001","90","","6565.6","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Bi4 I12 N8 O8 -","- C24 H56 Bi4 I12 N8 O8 -","- C96 H224 Bi16 I48 N32 O32 -","4","1","","Hamdeh, Umar H.; Nelson, Rainie D.; Ryan, Bradley J.; Bhattacharjee, Ujjal; Petrich, Jacob W.; Panthani, Matthew G.","Solution-Processed BiI3Thin Films for Photovoltaic Applications: Improved Carrier Collection via Solvent Annealing","Chemistry of Materials","2016","28","18","6567","","10.1021/acs.chemmater.6b02347","","","0.71073","MoKα","","0.0715","0.0406","","","0.0858","0.1045","","","","","","1.067","","","","has coordinates","186904","2020-10-21","18:00:00",""
"4002682","8.3699","0.0004","10.7774","0.0006","22.7215","0.0012","90","","91.857","0.001","90","","2048.53","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(py3tren)Al","","","- C21 H24 Al N7 -","- C21 H24 Al N7 -","- C84 H96 Al4 N28 -","4","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0536","0.0383","","","0.0914","0.1002","","","","","","1.022","","","","has coordinates","186905","2020-10-21","18:00:00",""
"4002683","14.511","0.002","9.9585","0.0014","15.004","0.002","90","","101.548","0.002","90","","2124.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(py3tren)AlCoCl","","","- C21 H24 Al Cl Co N7 -","- C21 H24 Al Cl Co N7 -","- C84 H96 Al4 Cl4 Co4 N28 -","4","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0647","0.0368","","","0.074","0.0842","","","","","","1.008","","","","has coordinates","186905","2020-10-21","18:00:00",""
"4002684","9.3796","0.0015","10.578","0.0017","14.373","0.002","78.924","0.002","72.613","0.002","81.559","0.002","1329.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(py3tren)AlCoMe","(py3tren)AlCoMe","","- C28 H33 Al Co N7 -","- C28 H33 Al Co N7 -","- C56 H66 Al2 Co2 N14 -","2","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0595","0.0401","","","0.0892","0.099","","","","","","1.026","","","","has coordinates,has disorder","186905","2020-10-21","18:00:00",""
"4002685","10.724","0.002","15.309","0.003","15.309","","90","","90","","90","","2513.3","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(py3tren)AlCoOPh","(py3tren)AlCoOPh","","- C27 H29 Al Co N7 O -","- C27 H29 Al Co N7 O -","- C108 H116 Al4 Co4 N28 O4 -","4","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0359","0.0333","","","0.0827","0.0843","","","","","","1.016","","","","has coordinates","186905","2020-10-21","18:00:00",""
"4002686","8.176483","0.000076","8.176483","0.000076","3.35754","0.000036","90","","90","","90","","224.468","0.004","300","","300","","","","","","","","","5","I 4/m","-I 4","87","","","","- Al3.94 Ce0.03 Mg4.06 N8 Sr1.97 -","- Al3.936 Ce0.03 Mg4.064 N8 Sr1.97 -","- Al3.936 Ce0.03 Mg4.064 N8 Sr1.97 -","1","0.0625","","Leano, Julius; Lin, Shing-Ying; Mahlik, Sebastian; Grinberg, Marek; Liang, Chaolun; Zhou, Wuzong; Molokeev, Maxim; Atuchin, Victor; Tsai, Yi-Ting; Lin, Cun Che; Sheu, Hwo-Shuenn; Liu, Ru-Shi","Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4] Phosphor for White Light-emitting Diodes","Chemistry of Materials","2016","28","19","6822","6825","10.1021/acs.chemmater.6b03442","powder diffraction","x-ray","0.68863","synchrotron","","","","","","","","","0.745","0.264","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"4002689","10.3481","0.0004","11.3487","0.0004","10.7207","0.0003","90","","111.199","0.0012","90","","1173.82","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N2 O2 S2 -","- C26 H30 N2 O2 S2 -","- C52 H60 N4 O4 S4 -","2","0.5","","Zhang, Zhiyun; Chen, Yi-An; Hung, Wen-Yi; Tang, Wei-Feng; Hsu, Yen-Hao; Chen, Chi-Lin; Meng, Fan-Yi; Chou, Pi-Tai","Control of the Reversibility of Excited-State Intramolecular Proton Transfer (ESIPT) Reaction: Host-Polarity Tuning White Organic Light Emitting Diode on a New Thiazolo[5,4-d]thiazole ESIPT System","Chemistry of Materials","2016","28","23","8815","","10.1021/acs.chemmater.6b04707","","","0.71073","MoKα","","0.0471","0.0342","","","0.0805","0.0858","","","","","","1.03","","","","has coordinates","189938","2020-10-21","18:00:00",""
"4002690","9.8522","0.0002","10.8009","0.0002","11.8811","0.0003","116.941","0.0008","95.0276","0.0008","91.8151","0.0008","1119.12","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N2 O2 S2 -","- C25 H28 N2 O2 S2 -","- C50 H56 N4 O4 S4 -","2","1","","Zhang, Zhiyun; Chen, Yi-An; Hung, Wen-Yi; Tang, Wei-Feng; Hsu, Yen-Hao; Chen, Chi-Lin; Meng, Fan-Yi; Chou, Pi-Tai","Control of the Reversibility of Excited-State Intramolecular Proton Transfer (ESIPT) Reaction: Host-Polarity Tuning White Organic Light Emitting Diode on a New Thiazolo[5,4-d]thiazole ESIPT System","Chemistry of Materials","2016","28","23","8815","","10.1021/acs.chemmater.6b04707","","","1.54178","CuKα","","0.0484","0.0413","","","0.1065","0.1112","","","","","","1.048","","","","has coordinates","189938","2020-10-21","18:00:00",""
"4002691","11.6583","0.0003","5.5671","0.0001","22.911","0.0006","90","","100.901","0.002","90","","1460.16","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SBMOF1_C2H2","","","- C14.69 H8.69 Ca O6 S -","- C14.69 H8.69 Ca O6 S -","- C58.76 H34.76 Ca4 O24 S4 -","4","1","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","1.54184","CuKα","","0.0569","0.0446","","","0.1152","0.1221","","","","","","1.106","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002692","11.5955","0.0003","5.5581","0.0001","22.9548","0.0005","90","","101.062","0.003","90","","1451.93","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SBMOF1_C2H4","","","- C14.67 H9.35 Ca O6 S -","- C14.68 H9.36 Ca O6 S -","- C58.72 H37.44 Ca4 O24 S4 -","4","1","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.71073","MoKα","","0.0442","0.0346","","","0.0845","0.0905","","","","","","1.053","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002693","11.6667","0.0011","5.5586","0.0005","22.935","0.002","90","","101.011","0.003","90","","1460","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SBMOF1_C2H6","","","- C14.86 H10.58 Ca O6 S -","- C14.86 H10.58 Ca O6 S -","- C59.44 H42.32 Ca4 O24 S4 -","4","1","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.41328","","","0.1098","0.0998","","","0.2532","0.2658","","","","","","1.082","","","","has coordinates","275236","2022-05-09","00:14:58",""
"4002694","5.1634","0.0002","10.5518","0.0005","15.4849","0.0007","82.725","0.004","87.233","0.004","83.782","0.004","831.44","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SBMOF2_C2H2","","","- C37.5 H23.5 Ca O8 -","- C37.502 H23.502 Ca O8 -","- C37.502 H23.502 Ca O8 -","1","0.5","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.71073","MoKα","","0.0682","0.0464","","","0.1103","0.1244","","","","","","1.037","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002695","5.1803","0.0003","10.6508","0.0005","15.2914","0.0006","82.591","0.004","85.945","0.004","82.739","0.004","828.67","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SBMOF1_C2H2","","","- C36.93 H25.86 Ca O8 -","- C36.93 H25.86 Ca O8 -","- C36.93 H25.86 Ca O8 -","1","0.5","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","1.54184","CuKα","","0.0743","0.053","","","0.1155","0.126","","","","","","1.07","","","","has coordinates,has disorder","275236","2022-05-09","00:14:58",""
"4002696","5.2195","0.0002","10.5691","0.0005","15.3604","0.0007","82.533","0.001","86.657","0.001","83","0.001","833.14","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","SBMOF2_C2H6","","","- C37.16 H29.47 Ca O8 -","- C37.158 H29.474 Ca O8 -","- C37.158 H29.474 Ca O8 -","1","0.5","","Plonka, Anna M.; Chen, Xianyin; Wang, Hao; Krishna, Rajamani; Dong, Xinglong; Banerjee, Debasis; Woerner, William R.; Han, Yu; Li, Jing; Parise, John B.","Light Hydrocarbon Adsorption Mechanisms in Two Calcium-Based Microporous Metal Organic Frameworks","Chemistry of Materials","2016","28","6","1636","1646","10.1021/acs.chemmater.5b03792","","","0.41328","","","0.0426","0.0384","","","0.1169","0.1298","","","","","","1.208","","","","has coordinates","275236","2022-05-09","00:14:58",""
"4003191","8.7442","0.0006","20.7536","0.0014","34.333","0.002","90","","90","","90","","6230.5","0.7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1568","0.124","","0.3313","0.3159","0.3313","","","","","","1.0478","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003192","8.777","0.006","20.772","0.014","34.38","0.02","90","","90","","90","","6268","7","293","","293","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H6 O6 Sc -","- C12 H6 O6 Sc -","- C192 H96 O96 Sc16 -","16","0.5","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1027","0.0545","","0.1315","0.1115","0.1315","","","","","","0.9012","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003193","8.681","0.004","20.723","0.007","34.341","0.013","90","","90","","90","","6178","4","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 O12 Sc2 -","- C24 H12 O12 Sc2 -","- C192 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1792","0.1578","","0.336","0.3206","0.336","","","","","","1.4507","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003194","8.7561","0.0013","20.752","0.002","34.297","0.005","90","","90","","90","","6232","1.4","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C25.8 H12 O12 Sc2 -","- C25.8 H12 O12 Sc2 -","- C206.4 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0893","0.0593","","0.1465","0.1258","0.1465","","","","","","0.9276","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003195","8.7373","0.0015","20.691","0.002","34.124","0.006","90","","90","","90","","6169.1","1.6","293","","293","","","","400000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0942","0.0744","","0.1741","0.1658","0.1741","","","","","","1.0247","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003196","8.7185","0.0007","20.7142","0.0008","34.265","0.0017","90","","90","","90","","6188.1","0.6","293","","293","","","","400000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C29 H12 O12 Sc2 -","- C29 H12 O12 Sc2 -","- C232 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0933","0.0605","","0.1822","0.1472","0.1822","","","","","","0.8477","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003197","8.7578","0.0009","20.7293","0.0011","34.292","0.003","90","","90","","90","","6225.5","0.9","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 O12 Sc2 -","- C24 H12 O12 Sc2 -","- C192 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0742","0.0523","","0.1222","0.1141","0.1222","","","","","","1.0082","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003198","8.7745","0.0015","20.668","0.002","34.203","0.005","90","","90","","90","","6202.8","1.5","293","","293","","","","500000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1108","0.079","","0.1831","0.1599","0.1831","","","","","","1.0668","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003199","8.6945","0.0019","20.808","0.002","34.079","0.004","90","","90","","90","","6165.4","1.6","293","","293","","","","300000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0992","0.0688","","0.1844","0.1628","0.1844","","","","","","0.9973","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003200","8.6945","0.0019","20.808","0.002","34.079","0.004","90","","90","","90","","6165.4","1.6","293","","293","","","","700000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.092","0.0643","","0.1377","0.1222","0.1377","","","","","","0.954","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003201","8.779","0.003","20.742","0.003","34.287","0.007","90","","90","","90","","6243","3","293","","293","","","","200000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C28.5 H12 O12 Sc2 -","- C28.5 H12 O12 Sc2 -","- C228 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0973","0.0579","","0.1602","0.1284","0.1602","","","","","","0.8839","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003202","8.779","0.003","20.742","0.003","34.287","0.007","90","","90","","90","","6243","3","293","","293","","","","500000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.1108","0.0774","","0.1447","0.1292","0.1447","","","","","","1.0493","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003203","8.779","0.003","20.742","0.003","34.287","0.007","90","","90","","90","","6243","3","293","","293","","","","800000","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C30 H12 O12 Sc2 -","- C30 H12 O12 Sc2 -","- C240 H96 O96 Sc16 -","8","0.25","","McKellar, Scott C.; Sotelo, Jorge; Greenaway, Alex; Mowat, John P. S.; Kvam, Odin; Morrison, Carole A.; Wright, Paul A.; Moggach, Stephen A.","Pore Shape Modification of a Microporous Metal‒Organic Framework Using High Pressure: Accessing a New Phase with Oversized Guest Molecules","Chemistry of Materials","2016","28","2","466","","10.1021/acs.chemmater.5b02891","","x-ray","0.71073","MoKα","","0.0999","0.0722","","0.1467","0.127","0.1467","","","","","","1.1091","","","","has coordinates","231424","2020-10-21","18:00:00",""
"4003216","30.4638","0.0003","30.4638","0.0003","44.2772","0.0007","90","","90","","90","","41091.2","0.9","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C33 H24 Cu3 N6 O18 -","- C33 H18 Cu3 N6 O18 -","- C528 H288 Cu48 N96 O288 -","16","1","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.1083","0.0764","","","0.2187","0.258","","","","","","0.974","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003217","30.5919","0.0007","30.5919","0.0007","44.8181","0.0019","90","","90","","90","","41944","2","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C33 H24 N6 O18 Zn3 -","- C33 H18 N6 O18 Zn3 -","- C528 H288 N96 O288 Zn48 -","16","1","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.139","0.0931","","","0.2665","0.3265","","","","","","1.034","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003218","33.9803","0.0005","33.9803","0.0005","33.9803","0.0005","90","","90","","90","","39235.7","1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C60 H42 N12 O19 Zn4 -","- C60 H42 N12 O19 Zn4 -","- C240 H168 N48 O76 Zn16 -","4","0.166667","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.2716","0.1684","","","0.3433","0.3897","","","","","","1.08","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003219","24.4186","0.0005","24.4186","0.0005","55.4757","0.0011","90","","90","","120","","28646.7","1","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C60 H48 In3 N12 O22 -","- C60 H42 In3 N12 O22 -","- C180 H126 In9 N36 O66 -","3","0.5","","Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang","De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform","Chemistry of Materials","2016","28","7","2000","","10.1021/acs.chemmater.5b03999","","","1.54184","CuKα","","0.1078","0.0627","","","0.1506","0.1905","","","","","","0.899","","","","has coordinates","231437","2020-10-21","18:00:00",""
"4003220","14.691","0.003","14.818","0.003","17.713","0.004","98.13","0.03","93.1","0.03","115.29","0.03","3423","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","MnAQDC","'Mn7(2,7-AQDC)6(2,6-AQDC)(DMA)6'","","- C136 H96 Mn7 N6 O48 -","- C136 H96 Mn7 N6 O48 -","- C136 H96 Mn7 N6 O48 -","1","0.5","","Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio","Discovery of a “Bipolar Charging” Mechanism in the Solid-State Electrochemical Process of a Flexible Metal‒Organic Framework","Chemistry of Materials","2016","28","5","1298","","10.1021/acs.chemmater.5b04075","","","0.71073","MoKα","","0.4365","0.2141","","","0.4587","0.5737","","","","","","1.068","","","","has coordinates","231438","2020-10-21","18:00:00",""
"4003221","14.615","0.003","16.585","0.003","20.559","0.004","99.33","0.03","107.46","0.03","100.74","0.03","4542","2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","MnAQDC","'Mn7(2,7-AQDC)7(2,6-AQDC)(DMA)6'","","- C130 H78 Mn7 N4 O48 -","- C130 H78 Mn7 N4 O48 -","- C130 H78 Mn7 N4 O48 -","1","0.5","","Zhang, Zhongyue; Yoshikawa, Hirofumi; Awaga, Kunio","Discovery of a “Bipolar Charging” Mechanism in the Solid-State Electrochemical Process of a Flexible Metal‒Organic Framework","Chemistry of Materials","2016","28","5","1298","","10.1021/acs.chemmater.5b04075","","","0.71073","MoKα","","0.1727","0.1006","","","0.2658","0.321","","","","","","0.941","","","","has coordinates","231439","2020-10-21","18:00:00",""
"4003222","21.847","0.005","21.847","","6.8729","0.0021","90","","90","","120","","2840.9","1.1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D11.14 Fe O3 -","- C7 H D11.13 Fe O3 -","- C42 H6 D66.78 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.09831","","1.55","","","","","","","has coordinates","231440","2020-10-21","18:00:00",""
"4003223","21.831","0.004","21.831","","6.8543","0.0022","90","","90","","120","","2829.1","1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D3.74 Fe O3 -","- C7 H D3.74 Fe O3 -","- C42 H6 D22.44 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.06852","","1.33","","","","","","","has coordinates","231441","2020-10-21","18:00:00",""
"4003224","21.813","0.005","21.813","","6.8688","0.0021","90","","90","","120","","2830.4","1.1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D7.64 Fe O3 -","- C7 H D7.64 Fe O3 -","- C42 H6 D45.84 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.05963","","1.62","","","","","","","has coordinates","231442","2020-10-21","18:00:00",""
"4003225","21.7036","0.0005","21.7036","0.0005","6.844","0.0002","90","","90","","120","","2791.93","0.12","100","","100","2","","","","","","","","5","P 32 2 1","P 32 2""","154","Co2(dobpdc)(DEF)2","","","- C24 H28 Co2 N2 O8 -","- C24 H28 Co2 N2 O8 -","- C72 H84 Co6 N6 O24 -","3","0.5","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","","","0.8856","synchrotron","","0.0604","0.0537","","","0.1515","0.1558","","","","","","1.126","","","","has coordinates,has disorder","231443","2020-10-21","18:00:00",""
"4003226","21.848","0.004","21.848","","6.8136","0.0025","90","","90","","120","","2816.6","1.2","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H0.98 D2.02 Fe O3 -","- C7 H0.976 D2.024 Fe O3 -","- C42 H5.856 D12.144 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.06722","","1.3","","","","","","","has coordinates","231444","2020-10-21","18:00:00",""
"4003227","21.823","0.004","21.823","","6.8695","0.0022","90","","90","","120","","2833.2","1","","","","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C7 H D5.2 Fe O3 -","- C7 H D5.2 Fe O3 -","- C42 H6 D31.2 Fe6 O18 -","6","1","","Gygi, David; Bloch, Eric D.; Mason, Jarad A.; Hudson, Matthew R.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Darwish, Tamim A.; Queen, Wendy L.; Brown, Craig M.; Long, Jeffrey R.","Hydrogen Storage in the Expanded Pore Metal‒Organic Frameworks M2(dobpdc) (M = Mg, Mn, Fe, Co, Ni, Zn)","Chemistry of Materials","2016","28","4","1128","","10.1021/acs.chemmater.5b04538","powder diffraction","neutron","2.078","","","","","","","","","0.05471","","1.33","","","","","","","has coordinates","231445","2020-10-21","18:00:00",""
"4003228","4.7647","0.0004","7.7093","0.0006","48.853","0.004","90","","91.616","0.006","90","","1793.8","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Fu, Chaoying; Lin, Hua-ping; Macleod, Jennifer M.; Krayev, Andrey; Rosei, Federico; Perepichka, Dmitrii F.","Unravelling the Self-Assembly of Hydrogen Bonded NDI Semiconductors in 2D and 3D","Chemistry of Materials","2016","28","3","951","","10.1021/acs.chemmater.5b04706","","x-ray","1.54178","CuKα","","0.1986","0.1413","","","0.3651","0.3983","","","","","","1.23","","","","has coordinates","231446","2020-10-21","18:00:00",""
"4003229","10.122","0.002","16.708","0.003","14.856","0.003","90","","108.14","0.03","90","","2387.6","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","WO2(tBuNC(Me)CtBu)2","","- C20 H42 N4 O2 W -","- C20 H42 N4 O2 W -","- C80 H168 N16 O8 W4 -","4","1","","Mouat, Aidan R.; Mane, Anil U.; Elam, Jeffrey W.; Delferro, Massimiliano; Marks, Tobin J.; Stair, Peter C.","Volatile Hexavalent Oxo-amidinate Complexes: Molybdenum and Tungsten Precursors for Atomic Layer Deposition","Chemistry of Materials","2016","28","6","1907","","10.1021/acs.chemmater.6b00248","","","0.71073","MoKα","","0.0359","0.0338","","","0.1079","0.1105","","","","","","1.071","","","","has coordinates,has disorder","231447","2020-10-21","18:00:00",""
"4003230","10.129","0.002","16.708","0.003","14.87","0.003","90","","107.8","0.03","90","","2396.1","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(tBuNC(Me)NtBu)2MoO2","","- C20 H42 Mo N4 O2 -","- C20 H42 Mo N4 O2 -","- C80 H168 Mo4 N16 O8 -","4","1","","Mouat, Aidan R.; Mane, Anil U.; Elam, Jeffrey W.; Delferro, Massimiliano; Marks, Tobin J.; Stair, Peter C.","Volatile Hexavalent Oxo-amidinate Complexes: Molybdenum and Tungsten Precursors for Atomic Layer Deposition","Chemistry of Materials","2016","28","6","1907","","10.1021/acs.chemmater.6b00248","","","0.71073","MoKα","","0.0406","0.0397","","","0.1199","0.1213","","","","","","1.107","","","","has coordinates,has disorder","231448","2020-10-21","18:00:00",""
"4003231","10.76","0.002","24.074","0.005","12.908","0.003","90","","97.8","0.03","90","","3312.7","1.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","W2O2(u2-O)2(tBuAMD)2","","- C25 H53 N4 O4 W2 -","- C25 H53 N4 O4 W2 -","- C100 H212 N16 O16 W8 -","4","1","","Mouat, Aidan R.; Mane, Anil U.; Elam, Jeffrey W.; Delferro, Massimiliano; Marks, Tobin J.; Stair, Peter C.","Volatile Hexavalent Oxo-amidinate Complexes: Molybdenum and Tungsten Precursors for Atomic Layer Deposition","Chemistry of Materials","2016","28","6","1907","","10.1021/acs.chemmater.6b00248","","","0.71073","MoKα","","0.0987","0.078","","","0.1952","0.2111","","","","","","1.071","","","","has coordinates","231449","2020-10-21","18:00:00",""
"4003232","8.0892","0.0008","15.9002","0.0017","3.5273","0.0004","90","","101.662","0.01","90","","444.32","0.08","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C3 Ca2 F Na3 O9 -","- C3 Ca2 F Na3 O9 -","- C6 Ca4 F2 Na6 O18 -","2","0.5","","Luo, Min; Song, Yunxia; Lin, Chensheng; Ye, Ning; Cheng, Wendan; Long, XiFa","Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material","Chemistry of Materials","2016","28","7","2301","","10.1021/acs.chemmater.6b00360","","","0.71073","MoKα","","0.0224","0.0213","","","0.0423","0.0427","","","","","","1.076","","","","has coordinates","231450","2020-10-21","18:00:00",""
"4003233","12.9","0.03","7.972","0.01","20.23","0.02","90","","100.25","0.07","90","","2047","6","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 I5 Pb2 S4 -","- C6 I5 Pb2 S4 -","- C24 I20 Pb8 S16 -","4","1","","Evans, Hayden A.; Lehner, Anna J.; Labram, John G.; Fabini, Douglas H.; Barreda, Omar; Smock, Sara R.; Wu, Guang; Chabinyc, Michael L.; Seshadri, Ram; Wudl, Fred","(TTF)Pb2I5: A Radical Cation-Stabilized Hybrid Lead Iodide with Synergistic Optoelectronic Signatures","Chemistry of Materials","2016","28","11","3607","","10.1021/acs.chemmater.6b00633","","","0.71073","MoKα","","0.203","0.0643","","","0.0872","0.1195","","","","","","0.945","","","","has coordinates","231451","2020-10-21","18:00:00",""
"4003234","8.947","0.0004","39.347","0.002","8.8589","0.0006","90","","90","","90","","3118.7","0.3","293","2","","","","","","","","","","5","C c 2 m","C -2c -2c","40","Butylammonium Methylammonium Lead Iodide","","","- C9 H30 I7 N3 Pb2 -","- C9 H30 I7 N3 Pb2 -","- C36 H120 I28 N12 Pb8 -","4","0.5","","Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.","Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors","Chemistry of Materials","2016","28","8","2852","","10.1021/acs.chemmater.6b00847","","","","","","0.0632","0.0529","","","0.1394","0.1478","","","","","","1.145","","","","has coordinates","231452","2020-10-21","18:00:00",""
"4003235","8.9275","0.0006","51.959","0.004","8.8777","0.0006","90","","90","","90","","4118","0.5","293","2","","","","","","","","","","5","C 2 e b","C -2ac 2","41","Butylammonium Methylammonium Lead Iodide","","","- C10 H36 I10 N4 Pb3 -","- C10 H36 I10 N4 Pb3 -","- C40 H144 I40 N16 Pb12 -","4","0.5","","Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.","Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors","Chemistry of Materials","2016","28","8","2852","","10.1021/acs.chemmater.6b00847","","","","","","0.1234","0.0781","","","0.1748","0.1997","","","","","","1.103","","","","has coordinates","231452","2020-10-21","18:00:00",""
"4003236","8.9274","0.0004","64.383","0.003","8.8816","0.0004","90","","90","","90","","5104.9","0.4","293","2","293","2","","","","","","","","5","C c 2 m","C -2c -2c","40","Bytulammonium Methylammonium Lead iodide","","","- C11 H42 I13 N5 Pb4 -","- C11 H42 I13 N5 Pb4 -","- C44 H168 I52 N20 Pb16 -","4","0.5","","Stoumpos, Constantinos C.; Cao, Duyen H.; Clark, Daniel J.; Young, Joshua; Rondinelli, James M.; Jang, Joon I.; Hupp, Joseph T.; Kanatzidis, Mercouri G.","Ruddlesden‒Popper Hybrid Lead Iodide Perovskite 2D Homologous Semiconductors","Chemistry of Materials","2016","28","8","2852","","10.1021/acs.chemmater.6b00847","","","0.71073","MoKα","","0.0864","0.0431","","","0.1123","0.1387","","","","","","0.986","","","","has coordinates","231452","2020-10-21","18:00:00",""
"4003237","12.2088","0.0008","19.5943","0.0012","12.295","0.0008","90","","99.209","0.003","90","","2903.3","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H60 Cl4 F2 N4 O8 -","- C64 H60 Cl4 F2 N4 O8 -","- C128 H120 Cl8 F4 N8 O16 -","2","0.5","","Chen, Hu; Bryant, Daniel; Troughton, Joel; Kirkus, Mindaugas; Neophytou, Marios; Miao, Xiaohe; Durrant, James R.; McCulloch, Iain","One-Step Facile Synthesis of a Simple Hole Transport Material for Efficient Perovskite Solar Cells","Chemistry of Materials","2016","28","8","2515","","10.1021/acs.chemmater.6b00858","","","1.54178","CuKα","","0.0558","0.0492","","","0.1316","0.1367","","","","","","1.044","","","","has coordinates","231453","2020-10-21","18:00:00",""
"4003238","20.1106","0.0017","7.3879","0.0006","24.51","0.002","90","","90","","90","","3641.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Urorosein Sulfate Acetate","3H-indol-1-ium-3-ylmethylene-3H-indol-1-ium","","- C19 H18 N2 O6 S -","- C19 H18 N2 O6 S -","- C152 H144 N16 O48 S8 -","8","1","","Hall, Victoria M.; Cox, Kristin A.; Sours, Ryan E.; Swift, Jennifer A.","Urochrome Pigment in Uric Acid Crystals","Chemistry of Materials","2016","28","11","3862","","10.1021/acs.chemmater.6b00977","","","0.41328","synchrotron","","0.0965","0.0479","","","0.092","0.1088","","","","","","1.035","","","","has coordinates","231454","2020-10-21","18:00:00",""
"4003239","17.1512","0.0006","21.8564","0.0007","4.5358","0.0002","90","","90","","90","","1700.31","0.11","100","","100","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C8 H26 I8 N4 O2 Pb3 -","- C8 H26 I8 N4 O2 Pb3 -","- C16 H52 I16 N8 O4 Pb6 -","2","0.25","","Umeyama, Daiki; Lin, Yu; Karunadasa, Hemamala I.","Red-to-Black Piezochromism in a Compressible Pb‒I‒SCN Layered Perovskite","Chemistry of Materials","2016","28","10","3241","","10.1021/acs.chemmater.6b01147","","","0.71073","MoKα","","0.0255","0.0221","","","0.045","0.0459","","","","","","1.11","","","","has coordinates,has disorder","231455","2020-10-21","18:00:00",""
"4003240","8.533","0.003","8.835","0.003","10.245","0.003","76.559","0.01","66.59","0.009","85.826","0.013","689.2","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 N2 O8 S2 Zn -","- C10 H10 N2 O8 S2 Zn -","- C20 H20 N4 O16 S4 Zn2 -","2","1","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0325","0.0311","","","0.1068","0.1093","","","","","","0.946","","","","has coordinates","231456","2020-10-21","18:00:00",""
"4003241","14.352","0.009","14.352","0.009","9.142","0.006","90","","90","","90","","1883","2","223","2","223","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H22 N4 O8 S2 Zn -","- C12 H22 N4 O8 S2 Zn -","- C48 H88 N16 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0904","0.0646","","","0.1475","0.1595","","","","","","1.095","","","","has coordinates","231457","2020-10-21","18:00:00",""
"4003242","14.489","0.008","14.489","0.008","9.173","0.005","90","","90","","90","","1925.7","1.8","433","2","433","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H22 N4 O8 S2 Zn -","- C12 H22 N4 O8 S2 Zn -","- C48 H88 N16 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0715","0.0472","","","0.1084","0.1164","","","","","","1.145","","","","has coordinates","231458","2020-10-21","18:00:00",""
"4003243","17.309","0.008","9.215","0.003","9.142","0.004","90","","118.615","0.018","90","","1280.1","0.9","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H16 N2 O8 S2 Zn -","- C4 H16 N2 O8 S2 Zn -","- C16 H64 N8 O32 S8 Zn4 -","4","0.5","","Ogiwara, Naoki; Inukai, Munehiro; Itakura, Tomoya; Horike, Satoshi; Kitagawa, Susumu","Fast Conduction of Organic Cations in Metal Sulfate Frameworks","Chemistry of Materials","2016","28","11","3968","","10.1021/acs.chemmater.6b01284","","","0.71075","MoKα","","0.0278","0.0268","","","0.0954","0.0977","","","","","","0.877","","","","has coordinates","231459","2020-10-21","18:00:00",""
"4003244","32.65","0.006","9.5","0.0019","35.77","0.007","90","","108.44","0.03","90","","10525","4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C392 H512 F12 N32 O62 -","- C392 H512 F12 N32 O62 -","- C392 H512 F12 N32 O62 -","1","0.5","","Pellach, Michal; Mondal, Sudipta; Shimon, Linda J. W.; Adler-Abramovich, Lihi; Buzhansky, Ludmila; Gazit, Ehud","Molecular Engineering of Self-Assembling Diphenylalanine Analogues Results in the Formation of Distinctive Microstructures","Chemistry of Materials","2016","28","12","4341","","10.1021/acs.chemmater.6b01322","","","0.7","synchrotron","","0.1114","0.1082","","","0.3159","0.32","","","","","","1.714","","","","has coordinates","231460","2020-10-21","18:00:00",""
"4003245","15.6387","0.0007","11.6835","0.0005","16.3316","0.0011","90","","117.909","0.002","90","","2637","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C120 H144 N12 O18 -","6","3","","Pellach, Michal; Mondal, Sudipta; Shimon, Linda J. W.; Adler-Abramovich, Lihi; Buzhansky, Ludmila; Gazit, Ehud","Molecular Engineering of Self-Assembling Diphenylalanine Analogues Results in the Formation of Distinctive Microstructures","Chemistry of Materials","2016","28","12","4341","","10.1021/acs.chemmater.6b01322","","","0.71073","MoKα","","0.0654","0.0552","","","0.1204","0.1274","","","","","","1.106","","","","has coordinates","231461","2020-10-21","18:00:00",""
"4003246","14.699","0.004","14.699","0.004","19.102","0.005","90","","90","","120","","3574.3","1.7","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Cl6 N3 -","- C12 H36 Bi Cl6 N3 -","- C72 H216 Bi6 Cl36 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0109","0.0109","","","0.0295","0.0295","","","","","","1.092","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003247","14.739","0.005","14.739","0.005","19.17","0.005","90","0.005","90","0.005","120","0.005","3607","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br0.81 Cl5.19 N3 -","- C12 H36 Bi Br0.798 Cl5.202 N3 -","- C72 H216 Bi6 Br4.788 Cl31.212 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71073","MoKα","","0.0155","0.0154","","","0.0379","0.038","","","","","","1.067","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003248","14.796","0.005","14.796","0.005","19.268","0.005","90","0.005","90","0.005","120","0.005","3653","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br1.53 Cl4.47 N3 -","- C12 H36 Bi Br1.5288 Cl4.4712 N3 -","- C72 H216 Bi6 Br9.1728 Cl26.8272 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0107","0.0105","","","0.0276","0.0277","","","","","","0.938","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003249","14.848","0.005","14.848","0.005","19.363","0.005","90","0.005","90","0.005","120","0.005","3697","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br2.31 Cl3.69 N3 -","- C12 H36 Bi Br2.313 Cl3.687 N3 -","- C72 H216 Bi6 Br13.878 Cl22.122 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0129","0.0123","","","0.0299","0.0302","","","","","","0.912","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003250","15.076","0.005","15.076","0.005","19.631","0.005","90","0.005","90","0.005","120","0.005","3864","2","100","2","100","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br5.08 Cl0.92 N3 -","- C12 H36 Bi Br5.079 Cl0.921 N3 -","- C72 H216 Bi6 Br30.474 Cl5.526 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0213","0.0186","","","0.0332","0.0338","","","","","","0.969","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003251","15.166","0.005","15.166","0.005","19.733","0.005","90","0.005","90","0.005","120","0.005","3931","2","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H36 Bi Br6 N3 -","- C12 H36 Bi Br6 N3 -","- C72 H216 Bi6 Br36 N18 -","6","0.333333","","Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang","Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation","Chemistry of Materials","2016","28","12","4421","","10.1021/acs.chemmater.6b01622","","","0.71069","MoKα","","0.0156","0.0146","","","0.0302","0.0304","","","","","","0.911","","","","has coordinates","231462","2020-10-21","18:00:00",""
"4003252","13.8553","0.0001","17.3992","0.0002","5.03855","0.00005","90","","90","","90","","1214.65","0.02","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","polyacetylene/TON","","","- C4 O24 Si12 -","- C4.008 O24 Si12 -","- C8.016 O48 Si24 -","2","0.25","","Santoro, Mario; Scelta, Demetrio; Dziubek, Kamil; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Garbarino, Gaston; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Hermet, Patrick; Rouquette, Jerome; van der Lee, Arie; Haines, Julien","Synthesis of 1D Polymer/Zeolite Nanocomposites under High Pressure","Chemistry of Materials","2016","28","11","4065","","10.1021/acs.chemmater.6b01639","powder diffraction","","0.415352","synchrotron","","","","","","","","","4.1515","0.845","","","","","","","has coordinates","231463","2020-10-21","18:00:00",""
"4003253","13.8867","0.0004","17.4429","0.0009","5.04748","0.00019","90","","90","","90","","1222.62","0.09","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","polycarbon monoxide/TON","","","- C1.2 O25.2 Si12 -","- C1.204 O25.204 Si12 -","- C2.408 O50.408 Si24 -","2","0.25","","Santoro, Mario; Scelta, Demetrio; Dziubek, Kamil; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Garbarino, Gaston; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Hermet, Patrick; Rouquette, Jerome; van der Lee, Arie; Haines, Julien","Synthesis of 1D Polymer/Zeolite Nanocomposites under High Pressure","Chemistry of Materials","2016","28","11","4065","","10.1021/acs.chemmater.6b01639","powder diffraction","","0.415352","synchrotron","","","","","","","","","3.0518","0.25","","","","","","","has coordinates","231464","2020-10-21","18:00:00",""
"4003254","13.61328","0.00022","13.61328","","20.249","0.0004","90","","90","","120","","3249.82","0.08","295","","295","","","","","","","","","7","P -3 1 c","-P 3 2c","163","SAPO-56 as-prepared dehydrated","","","- C6.13 H13.23 Al4 N1.4 O16 P3 Si -","- C6.134 H13.234 Al4 N1.614 O16 P3 Si -","- C36.804 H79.404 Al24 N9.684 O96 P18 Si6 -","6","0.5","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.12215","","1.36","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003255","13.7594","0.00031","13.7594","","19.761","0.001","90","","90","","120","","3239.95","0.18","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO-56 calcined dehydrated(trimethylamine,diDABCO-C4)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al24 O96 P18 Si6 -","24","2","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.15609","","1.55","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003256","13.64075","0.00031","13.64075","","45.4999","0.0013","90","","90","","120","","7331.9","0.3","295","","295","","","","","","","","","7","R -3 :H","-R 3","148","SAPO-SFW as-prepared dehydrated","","","- C3.78 H8.43 Al3 N0.74 O12 P2.25 Si0.75 -","- C3.7814 H8.4318 Al3 N0.9368 O12 P2.25 Si0.75 -","- C68.0652 H151.772 Al54 N16.8624 O216 P40.5 Si13.5 -","18","1","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.12935","","1.96","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003257","13.7954","0.00018","13.7954","","44.6461","0.0015","90","","90","","120","","7358.4","0.3","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C6)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.04869","","1.64","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003258","13.8077","0.0005","13.8077","","9.9138","0.0005","90","","90","","120","","1636.87","0.1","295","","295","","","","","","","","","4","P -3 1 c","-P 3 2c","163","SAPO GME calcined dehydrated","","","- Al12 O48 P8.4 Si3.6 -","- Al12 O48 P8.4 Si3.6 -","- Al12 O48 P8.4 Si3.6 -","1","0.0833333","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.06231","","1.41","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003259","13.78419","0.00017","13.78419","0.00017","44.5996","0.0015","90","","90","","120","","7338.8","0.3","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C7)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.03949","","1.37","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003260","13.79468","0.00013","13.79468","","44.6557","0.0009","90","","90","","120","","7359.2","0.16","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C8)","","","- Al O4 P0.75 Si0.25 -","- Al O4 P0.75 Si0.25 -","- Al54 O216 P40.5 Si13.5 -","54","3","","Turrina, Alessandro; Garcia, Raquel; Cox, Paul A.; Casci, John L.; Wright, Paul A.","Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves","Chemistry of Materials","2016","28","14","4998","","10.1021/acs.chemmater.6b01676","powder diffraction","x-ray","1.54056","","","","","","","","","0.06715","","1.65","","","","","","","has coordinates","231465","2020-10-21","18:00:00",""
"4003261","9.2363","0.0013","8.0254","0.0011","13.7678","0.0019","90","","101.054","0.002","90","","1001.6","0.2","210","2","210","2","","","101.3","","","","Sigma","4","P 1 21/n 1","-P 2yn","14","210K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.0602","0.0472","","","0.1224","0.1311","","","","","","1.067","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003262","9.0205","0.0006","8.5963","0.0004","14.2881","0.0008","90","","107.101","0.003","90","","1058.96","0.11","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","200K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0292","0.0245","","","0.055","0.0574","","","","","","1.036","","","","has coordinates","231467","2020-10-21","18:00:00",""
"4003263","9.0605","0.0003","8.6754","0.0002","14.2921","0.0005","90","","106.832","0.002","90","","1075.28","0.06","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","260K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0452","0.0334","","","0.075","0.0814","","","","","","1.022","","","","has coordinates","231468","2020-10-21","18:00:00",""
"4003264","9.0683","0.0003","8.6955","0.0002","14.2945","0.0005","90","","106.751","0.002","90","","1079.34","0.06","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","273K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0514","0.0354","","","0.0795","0.0879","","","","","","1.028","","","","has coordinates","231469","2020-10-21","18:00:00",""
"4003265","9.0082","0.0006","8.5752","0.0005","14.2853","0.0008","90","","107.142","0.003","90","","1054.48","0.11","180","2","180.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","180K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0252","0.0221","","","0.0489","0.0505","","","","","","1.03","","","","has coordinates","231470","2020-10-21","18:00:00",""
"4003266","9.1465","0.0001","8.4358","0.0001","13.6024","0.0002","90","","104.915","0.001","90","","1014.17","0.02","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","240K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0779","0.0552","","","0.167","0.1839","","","","","","1.095","","","","has coordinates,has disorder","231471","2020-10-21","18:00:00",""
"4003267","9.1309","0.0002","8.4825","0.0001","13.6493","0.0002","90","","104.776","0.001","90","","1022.22","0.03","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","273K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0844","0.0579","","","0.1714","0.1915","","","","","","1.071","","","","has coordinates,has disorder","231472","2020-10-21","18:00:00",""
"4003268","9.1488","0.0015","8.1812","0.0013","13.928","0.002","90","","101.529","0.002","90","","1021.5","0.3","260","2","260","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","260K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.1035","0.0737","","","0.2245","0.2492","","","","","","1.084","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003269","9.1539","0.0001","8.4091","0.0001","13.5804","0.0002","90","","104.987","0.001","90","","1009.81","0.02","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","220K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0749","0.0557","","","0.1644","0.1783","","","","","","1.086","","","","has coordinates,has disorder","231474","2020-10-21","18:00:00",""
"4003270","9.1653","0.0002","8.3545","0.0002","13.5416","0.0003","90","","105.108","0.001","90","","1001.06","0.04","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","180K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0778","0.0639","","","0.1752","0.1847","","","","","","1.095","","","","has coordinates,has disorder","231475","2020-10-21","18:00:00",""
"4003271","9.2668","0.0013","7.9623","0.0011","13.7151","0.0019","90","","100.907","0.002","90","","993.7","0.2","180","2","180","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","180K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.0492","0.0406","","","0.1031","0.1087","","","","","","1.085","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003272","9.0471","0.0004","8.647","0.0003","14.2901","0.0005","90","","106.938","0.002","90","","1069.42","0.07","240","2","240.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","240K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0386","0.0308","","","0.0692","0.0733","","","","","","1.032","","","","has coordinates","231477","2020-10-21","18:00:00",""
"4003273","9.1378","0.0001","8.4636","0.0001","13.6287","0.0002","90","","104.84","0.001","90","","1018.87","0.02","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","260K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0829","0.0561","","","0.1752","0.1947","","","","","","1.093","","","","has coordinates,has disorder","231478","2020-10-21","18:00:00",""
"4003274","9.162","0.0001","8.3819","0.0001","13.5583","0.0002","90","","105.053","0.001","90","","1005.48","0.02","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","200K","","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C32 H60 N4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0703","0.0559","","","0.1615","0.1727","","","","","","1.092","","","","has coordinates,has disorder","231479","2020-10-21","18:00:00",""
"4003275","9.1231","0.0014","8.2311","0.0013","13.982","0.002","90","","101.676","0.002","90","","1028.2","0.3","273","2","273","2","","","101.3","","","","sigma","4","P 1 21/n 1","-P 2yn","14","273K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.1167","0.0823","","","0.2599","0.2926","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003276","9.1902","0.0015","8.1108","0.0013","13.853","0.002","90","","101.313","0.002","90","","1012.5","0.3","240","2","240","2","","","101.3","","","","Sigma","4","P 1 21/n 1","-P 2yn","14","240K","","","- C14 H30 N2 O10 -","- C14 H30 N2 O10 -","- C28 H60 N4 O20 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","x-ray","0.71073","MoKα","","0.0821","0.0604","","","0.1757","0.193","","","","","","1.113","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003277","9.0319","0.0005","8.6191","0.0004","14.286","0.0007","90","","107.033","0.002","90","","1063.34","0.09","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","220K","","","- C14 H30 I2 O6 -","- C14 H30 I2 O6 -","- C28 H60 I4 O12 -","2","0.5","","Engel, Emile R.; Smith, Vincent J.; Bezuidenhout, Charl X.; Barbour, Leonard J.","Thermoresponsive Organic Inclusion Compounds: Modification of Thermal Expansion Behavior by Simple Guest Replacement","Chemistry of Materials","2016","28","14","5073","","10.1021/acs.chemmater.6b01916","","","0.71073","MoKα","","0.0331","0.0272","","","0.0591","0.0622","","","","","","1.024","","","","has coordinates","231482","2020-10-21","18:00:00",""
"4003278","20.9002","0.0018","8.6559","0.0007","6.2386","0.0006","90","","90","","90","","1128.63","0.17","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H12 S2 -","- C14 H12 S2 -","- C56 H48 S8 -","4","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.0738","0.063","","","0.1865","0.1945","","","","","","1.147","","","","has coordinates","231483","2020-10-21","18:00:00",""
"4003279","22.031","0.004","8.6634","0.0014","6.8845","0.001","90","","90","","90","","1314","0.4","100","2","99.99","","","","","","","","","3","P c c a","-P 2a 2ac","54","","","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.1107","0.0988","","","0.2546","0.2626","","","","","","1.186","","","","has coordinates","231484","2020-10-21","18:00:00",""
"4003280","10.5548","0.0013","8.0291","0.001","6.8298","0.0009","90","","98.038","0.008","90","","573.11","0.13","100","2","99.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 S2 -","- C14 H12 S2 -","- C28 H24 S4 -","2","0.5","","Takai, Atsuro; Chen, Zhihua; Yu, Xinge; Zhou, Nanjia; Marks, Tobin J.; Facchetti, Antonio","Annulated Thienyl-Vinylene-Thienyl Building Blocks for π-Conjugated Copolymers: Ring Dimensions and Isomeric Structure Effects on π-Conjugation Length and Charge Transport","Chemistry of Materials","2016","28","16","5772","","10.1021/acs.chemmater.6b02007","","","1.54178","CuKα","","0.0437","0.0378","","","0.0965","0.1005","","","","","","1.126","","","","has coordinates","231485","2020-10-21","18:00:00",""
"4003281","9.246","0.003","10.857","0.003","60.062","0.016","90","","90","","90","","6029","3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1-(2-methyl-5-(4-(phenylcarbarylmethyl)phenyl)-3-thienyl)-2-(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C35 H25 F6 N O2 S2 -","- C35 H25 F6 N O2 S2 -","- C280 H200 F48 N8 O16 S16 -","8","1","","Kitagawa, Daichi; Okuyama, Tomohiro; Tanaka, Rika; Kobatake, Seiya","Photoinduced Rapid and Explosive Fragmentation of Diarylethene Crystals Having Urethane Bonding","Chemistry of Materials","2016","28","14","4889","","10.1021/acs.chemmater.6b02017","","","0.71075","MoKα","","0.1074","0.0942","","","0.2454","0.2616","","","","","","1.014","","","","has coordinates,has disorder","231486","2020-10-21","18:00:00",""
"4003282","32.197","0.019","9.269","0.005","10.859","0.006","90","","98.61","0.05","90","","3204","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2-methyl-5-(4-(benzylcarbarylmethyl)phenyl)-3-thienyl)-2-(2-methyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C36 H27 F6 N O2 S2 -","- C36 H27 F6 N O2 S2 -","- C144 H108 F24 N4 O8 S8 -","4","1","","Kitagawa, Daichi; Okuyama, Tomohiro; Tanaka, Rika; Kobatake, Seiya","Photoinduced Rapid and Explosive Fragmentation of Diarylethene Crystals Having Urethane Bonding","Chemistry of Materials","2016","28","14","4889","","10.1021/acs.chemmater.6b02017","","","0.71075","MoKα","","0.0749","0.0632","","","0.1843","0.1901","","","","","","1.087","","","","has coordinates","231486","2020-10-21","18:00:00",""
"4003283","6.5409","0.0005","10.6885","0.0008","13.6742","0.0011","112.492","0.002","94.702","0.003","98.455","0.002","863.63","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 Se -","- C19 H28 Se -","- C38 H56 Se2 -","2","1","","Tsai, Che-En; Yu, Ruo-Han; Lin, Fang-Ju; Lai, Yu-Ying; Hsu, Jhih-Yang; Cheng, Sheng-Wen; Hsu, Chain-Shu; Cheng, Yen-Ju","Synthesis of a 4,9-Didodecyl Angular-Shaped Naphthodiselenophene Building Block To Achieve High-Mobility Transistors","Chemistry of Materials","2016","28","14","5121","","10.1021/acs.chemmater.6b02042","","","0.71073","MoKα","","0.0352","0.0279","","","0.0667","0.0697","","","","","","1.082","","","","has coordinates","231487","2020-10-21","18:00:00",""
"4003284","8.84","0.003","28.972","0.008","9.023","0.003","90","","106.224","0.004","90","","2218.9","1.2","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 N3 O -","- C30 H21 N3 O -","- C120 H84 N12 O4 -","4","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.1244","0.0816","","","0.2196","0.2367","","","","","","1.374","","","","has coordinates","231488","2020-10-21","18:00:00",""
"4003285","8.83","0.005","8.862","0.005","13.016","0.008","104.659","0.009","99.961","0.01","104.811","0.008","921.4","0.9","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H16 N O -","- C27 H17 N O -","- C54 H34 N2 O2 -","2","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.1326","0.0977","","","0.2527","0.2904","","","","","","1.066","","","","has coordinates","231489","2020-10-21","18:00:00",""
"4003286","8.804","0.002","9.4013","0.0018","14.585","0.004","72.697","0.011","86.345","0.016","72.304","0.014","1097.5","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 N2 O -","- C32 H22 N2 O -","- C64 H44 N4 O2 -","2","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.1224","0.0614","","","0.1556","0.1877","","","","","","0.94","","","","has coordinates","231490","2020-10-21","18:00:00",""
"4003287","23.9625","0.0004","12.8754","0.0002","12.4685","0.0003","90","","90","","90","","3846.87","0.13","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H19 N O -","- C28 H19 N O -","- C224 H152 N8 O8 -","8","1","","Ando, Shinji; Fukushima, Takanori; Yamaguchi, Takeo","Discrete Self-Assembly and Functionality of Guest Molecules in an Organic Framework","Chemistry of Materials","2016","28","16","5847","","10.1021/acs.chemmater.6b02230","","","0.71073","MoKα","","0.0753","0.0513","","","0.1428","0.1577","","","","","","1.074","","","","has coordinates","231491","2020-10-21","18:00:00",""
"4003288","13.386","0.004","21.482","0.005","10.176","0.002","90","","94.752","0.008","90","","2916.1","1.2","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.05 H8 Cd O6.05 S -","- C14.05 H8 Cd O6.05 S -","- C112.4 H64 Cd8 O48.4 S8 -","8","1","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.0653","0.0376","","","0.0711","0.0782","","","","","","1.03","","","","has coordinates,has disorder","231492","2020-10-21","18:00:00",""
"4003289","13.391","0.003","21.45","0.004","10.1758","0.0015","90","","94.96","0.005","90","","2911.9","1","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.43 H8 Cd O6.8 S -","- C14.431 H8 Cd O6.797 S -","- C115.448 H64 Cd8 O54.376 S8 -","8","1","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.0502","0.0314","","","0.0591","0.064","","","","","","1.047","","","","has coordinates,has disorder","231493","2020-10-21","18:00:00",""
"4003290","5.8815","0.0016","13.035","0.003","19.371","0.004","90","","90","","90","","1485.1","0.6","110","","110","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14.45 H8 O6.89 Pb S -","- C14.447 H8 O6.894 Pb S -","- C57.788 H32 O27.576 Pb4 S4 -","4","0.5","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.0385","0.0249","","","0.0404","0.0431","","","","","","1.04","","","","has coordinates,has disorder","231494","2020-10-21","18:00:00",""
"4003291","13.376","0.003","21.481","0.005","10.168","0.0017","90","","94.756","0.007","90","","2911.5","1.1","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cd O6 S -","- C14 H8 Cd O6 S -","- C112 H64 Cd8 O48 S8 -","8","1","","Chen, Shoushun; Lucier, Bryan E.G.; Boyle, Paul D.; Huang, Yining","Understanding The Fascinating Origins of CO2 Adsorption and Dynamics in MOFs","Chemistry of Materials","2016","28","16","5829","","10.1021/acs.chemmater.6b02239","","","0.71073","MoKα","","0.041","0.0264","","","0.0521","0.056","","","","","","1.033","","","","has coordinates,has disorder","231495","2020-10-21","18:00:00",""
"4003292","7.343","0.002","36.61","0.011","13.592","0.004","90","","90","","90","","3653.9","1.8","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2FeBr4","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 Br4 Fe I4 S4 Se8 -","- C64 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0386","0.0303","","","0.0768","0.081","","","","","","1.039","","","","has coordinates","231496","2020-10-21","18:00:00",""
"4003293","7.339","0.002","35.846","0.011","13.576","0.004","90","","90","","90","","3571.5","1.8","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2GaCl4","","","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C16 Cl4 Ga I4 S4 Se8 -","- C64 Cl16 Ga4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0362","0.0266","","","0.0707","0.0778","","","","","","1.04","","","","has coordinates","231497","2020-10-21","18:00:00",""
"4003294","7.3315","0.0009","35.801","0.004","13.5837","0.0016","90","","90","","90","","3565.4","0.7","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2FeCl4","","","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C16 Cl4 Fe I4 S4 Se8 -","- C64 Cl16 Fe4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0319","0.0261","","","0.0672","0.0715","","","","","","1.077","","","","has coordinates","231498","2020-10-21","18:00:00",""
"4003295","7.3519","0.0013","36.69","0.006","13.606","0.002","90","","90","","90","","3670.1","1","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","(DIETSe)2GaBr4","","","- C16 H8 Br4 Ga I4 S4 Se8 -","- C16 Br4 Ga I4 S4 Se8 -","- C64 Br16 Ga4 I16 S16 Se32 -","4","0.25","","Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi","Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge","Chemistry of Materials","2016","28","20","7276","","10.1021/acs.chemmater.6b02495","","","0.71073","MoKα","","0.0381","0.0297","","","0.0714","0.076","","","","","","1.038","","","","has coordinates","231499","2020-10-21","18:00:00",""
"4003296","22.28","0.02","22.2","0.02","11.198","0.01","90","","90.931","0.008","90","","5538","9","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29.33 H26.67 Cu1.33 N5.33 O8 S2.67 -","- C29.3333 H26.6667 Cu1.33333 N5.33333 O8 S2.66667 -","- C176 H160 Cu8 N32 O48 S16 -","6","1.5","","Zhang, Guiyang; Wei, Guangfeng; Liu, Zhipan; Oliver, Scott R. J.; Fei, Honghan","A Robust Sulfonate-Based Metal‒Organic Framework with Permanent Porosity for Efficient CO2 Capture and Conversion","Chemistry of Materials","2016","28","17","6276","","10.1021/acs.chemmater.6b02511","","","0.71073","MoKα","","0.0444","0.0371","","","0.0916","0.0951","","","","","","1.052","","","","has coordinates","231500","2020-10-21","18:00:00",""
"4003297","15.877","0.005","8.568","0.005","23.078","0.005","90","0.005","90","0.005","90","0.005","3139","2","296","","296","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H10 Br3 N Sn -","- C3 Br3 N Sn -","- C36 Br36 N12 Sn12 -","12","3","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0735","0.0389","","","0.084","0.0929","","","","","","1.134","","","","has coordinates","231501","2020-10-21","18:00:00",""
"4003298","9.598","0.005","8.368","0.005","12.416","0.005","90","0.005","90","0.005","90","0.005","997.2","0.9","420","","420","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cl3 N Sn -","- C3 H9 Cl3 N Sn -","- C12 H36 Cl12 N4 Sn4 -","4","0.5","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0357","0.0262","","","0.0611","0.0672","","","","","","1.043","","","","has coordinates","231502","2020-10-21","18:00:00",""
"4003299","9.37","0.007","8.267","0.007","12.355","0.01","90","","92.172","0.009","90","","956.4","1.3","260","","260","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H10 Cl3 N Sn -","- C3 Cl3 N Sn -","- C12 Cl12 N4 Sn4 -","4","1","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71073","MoKα","","0.0815","0.0805","","","0.2178","0.2186","","","","","","1.065","","","","has coordinates","231503","2020-10-21","18:00:00",""
"4003300","9.476","0.005","8.29","0.005","12.34","0.005","90","0.005","90","0.005","90","0.005","969.4","0.9","296","","296","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Cl3 N Sn -","- C3 H9 Cl3 N Sn -","- C12 H36 Cl12 N4 Sn4 -","4","0.5","","Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang","Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br)","Chemistry of Materials","2016","28","19","6968","","10.1021/acs.chemmater.6b02653","","","0.71069","MoKα","","0.0177","0.0171","","","0.0432","0.0435","","","","","","1.098","","","","has coordinates","231504","2020-10-21","18:00:00",""
"4003301","21.9524","0.0006","21.9524","0.0006","21.9524","0.0006","90","","90","","90","","10579","0.5","296","2","296.15","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C24 H9 Fe3 N3 O16 -","- C24 H9 Fe3 N3 O16 -","- C192 H72 Fe24 N24 O128 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","0.7709","synchrotronx-ray","","0.0453","0.0377","","","0.0867","0.0892","","","","","","0.972","","","","has coordinates","231505","2020-10-21","18:00:00",""
"4003302","22.453","0.0004","22.453","0.0004","22.453","0.0004","90","","90","","90","","11319.4","0.3","100","2","100","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H25.5 Br In3 N3 O21.25 -","- C24 H10.5 Br0.99 In3 N3 O21.27 -","- C192 H84 Br7.92 In24 N24 O170.16 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","1.54178","CuKα","","0.0426","0.0391","","","0.1121","0.1145","","","","","","1.076","","","","has coordinates","231506","2020-10-21","18:00:00",""
"4003303","21.872","0.0009","21.872","0.0009","21.872","0.0009","90","","90","","90","","10463.2","0.7","225","2","225","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H15 Cl Fe3 N3 O16 -","- C24 H9 Cl1.01 Fe3 N3 O16 -","- C192 H72 Cl8.08 Fe24 N24 O128 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","1.54178","CuKα","","0.0917","0.0621","","","0.1665","0.1804","","","","","","1.016","","","","has coordinates","231507","2020-10-21","18:00:00",""
"4003304","22.457","0.0003","22.457","0.0003","22.457","0.0003","90","","90","","90","","11325.4","0.3","100","2","100","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C24 H23.7 Cl In3 N3 O20.35 -","- C24 H9 Cl0.99 In3 N3 O20.33 -","- C192 H72 Cl7.92 In24 N24 O162.64 -","8","0.333333","","Cairns, Amy J.; Eckert, Juergen; Wojtas, Lukasz; Thommes, Matthias; Wallacher, Dirk; Georgiev, Peter A.; Forster, Paul M.; Belmabkhout, Youssef; Ollivier, Jacques; Eddaoudi, Mohamed","Gaining Insights on the H2‒Sorbent Interactions: Robust soc-MOF Platform as a Case Study","Chemistry of Materials","2016","28","20","7353","","10.1021/acs.chemmater.6b02817","","","1.54178","CuKα","","0.0417","0.0385","","","0.1116","0.1139","","","","","","1.053","","","","has coordinates","231508","2020-10-21","18:00:00",""
"4003305","7.642","0.0006","14.5365","0.0012","14.957","0.0012","90","","90","","90","","1661.5","0.2","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0387","0.0309","","","0.0725","0.075","","","","","","0.982","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003306","7.4503","0.0016","14.465","0.003","15.649","0.003","90","","90","","90","","1686.5","0.6","330","","330","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H11 Cr Mn N8 O2 -","- C36 H44 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0505","0.0371","","","0.0904","0.0942","","","","","","0.981","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003307","7.4439","0.0007","14.4725","0.0014","15.6319","0.0015","90","","90","","90","","1684.1","0.3","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H13 Cr Mn N8 O2 -","- C36 H52 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0455","0.0364","","","0.0882","0.0913","","","","","","0.963","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003308","7.6421","0.001","14.5416","0.0019","14.958","0.002","90","","90","","90","","1662.3","0.4","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H15 Cr Mn N8 O2 -","- C36 H60 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0402","0.0322","","","0.0743","0.0772","","","","","","0.978","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003309","7.425","0.0006","14.5177","0.0011","15.5242","0.0012","90","","90","","90","","1673.4","0.2","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0352","0.0303","","","0.0733","0.0749","","","","","","1.003","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003310","7.6459","0.0007","14.5442","0.0012","14.9647","0.0013","90","","90","","90","","1664.1","0.3","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.039","0.0311","","","0.0727","0.0751","","","","","","0.982","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003311","7.712","0.003","13.401","0.005","14.058","0.005","90","","90","","90","","1452.9","0.9","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cr Mn N8 -","- C9 H11 Cr Mn N8 -","- C36 H44 Cr4 Mn4 N32 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.1096","0.0707","","","0.1594","0.1817","","","","","","1.136","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003312","7.6695","0.0016","14.586","0.003","15.013","0.003","90","","90","","90","","1679.5","0.6","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H11 Cr Mn N8 O2 -","- C36 H44 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.1497","0.0897","","","0.1937","0.23","","","","","","1.256","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003313","8.9159","0.0007","20.0335","0.0015","8.9925","0.0006","90","","91.875","0.006","90","","1605.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 I4 N3 Pb -","- C5 H11 I4 N3 Pb -","- C20 H44 I16 N12 Pb4 -","4","1","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0639","0.0541","","","0.141","0.1501","","","","","","1.027","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003314","8.7411","0.0004","20.0449","0.0007","8.9845","0.0003","90","","91.571","0.003","90","","1573.62","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 I4 N3 Sn -","- C5 H11 I4 N3 Sn -","- C20 H44 I16 N12 Sn4 -","4","1","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.1111","0.0583","","","0.0916","0.1087","","","","","","1.096","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003315","9.1561","0.0005","8.6894","0.0003","28.7762","0.0015","90","","90","0.004","90","","2289.46","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0727","0.0575","","","0.1308","0.1398","","","","","","1.099","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003316","9.0944","0.0004","8.6613","0.0006","28.764","0.0013","90","","90","","90","","2265.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Sn -","- C14 H20 I4 N2 Sn -","- C56 H80 I16 N8 Sn4 -","4","0.5","","Mao, Lingling; Tsai, Hsinhan; Nie, Wanyi; Ma, Lin; Im, Jino; Stoumpos, Constantinos C.; Malliakas, Christos D.; Hao, Feng; Wasielewski, Michael R.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","Role of Organic Counterion in Lead- and Tin-Based Two-Dimensional Semiconducting Iodide Perovskites and Application in Planar Solar Cells","Chemistry of Materials","2016","28","21","7781","","10.1021/acs.chemmater.6b03054","","","0.71073","MoKα","","0.0469","0.0354","","","0.0852","0.0894","","","","","","1.089","","","","has coordinates","231510","2020-10-21","18:00:00",""
"4003317","17.41","0.002","27.438","0.004","18.341","0.002","90","","111.323","0.002","90","","8161.7","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H162 Ag7.22 Au17.77 S18 -","- C144 H162 Ag7.224 Au17.776 S18 -","- C288 H324 Ag14.448 Au35.552 S36 -","2","0.5","","Yan, Nan; Liao, Lingwen; Yuan, Jinyun; Lin, Yue-jian; Weng, Lin-hong; Yang, Jinlong; Wu, Zhikun","Bimetal Doping in Nanoclusters: Synergistic or Counteractive?","Chemistry of Materials","2016","28","22","8240","","10.1021/acs.chemmater.6b03132","","","0.71073","MoKα","","0.1218","0.0525","","","0.1184","0.155","","","","","","1.014","","","","has coordinates,has disorder","231511","2020-10-21","18:00:00",""
"4003318","13.448","0.002","15.035","0.002","15.51","0.003","115.552","0.003","93.416","0.003","109.388","0.003","2592","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H39 Ir N3 O3 P -","- C51 H39 Ir N3 O3 P -","- C102 H78 Ir2 N6 O6 P2 -","2","1","","Xu, Xianbin; Guo, Haoran; Zhao, Jiang; Liu, Boao; Yang, Xiaolong; Zhou, Guijiang; Wu, Zhaoxin","Asymmetric tris-Heteroleptic IridiumIII Complexes Containing a 9-Phenyl-9-phosphafluorene Oxide Moiety with Enhanced Charge Carrier Injection/Transporting Properties for Highly Efficient Solution-Processed Organic Light-Emitting Diodes","Chemistry of Materials","2016","28","23","8556","","10.1021/acs.chemmater.6b03177","","","0.71073","MoKα","","0.1311","0.0781","","","0.2092","0.23","","","","","","1.233","","","","has coordinates","231512","2020-10-21","18:00:00",""
"4003319","28.9782","0.001","17.9781","0.001","12.4794","0.0005","90","","90","","90","","6501.4","0.5","170","2","170","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C27 H21 Br Cd Cl N3 O10 -","- C27 H21 Br Cd Cl N3 O10 -","- C216 H168 Br8 Cd8 Cl8 N24 O80 -","8","1","","An, Wen; Aulakh, Darpandeep; Zhang, Xuan; Verdegaal, Wolfgang; Dunbar, Kim R.; Wriedt, Mario","Switching of Adsorption Properties in a Zwitterionic Metal‒Organic Framework Triggered by Photogenerated Radical Triplets","Chemistry of Materials","2016","28","21","7825","","10.1021/acs.chemmater.6b03224","","","0.71073","MoKα","","0.1894","0.0686","","","0.1539","0.1892","","","","","","0.804","","","","has coordinates","231513","2020-10-21","18:00:00",""
"4003320","21.432","0.003","21.539","0.003","21.91","0.003","87.7621","0.0017","64.8727","0.0016","60.9692","0.0015","7826.3","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","- C176 H328 Ag62 B2 S44 -","1","0.5","","Jin, Shan; Wang, Shuxin; Xiong, Ling; Zhou, Meng; Chen, Shuang; Du, Wenjun; Xia, Andong; Pei, Yong; Zhu, Manzhou","Two Electron Reduction: From Quantum Dots to Metal Nanoclusters","Chemistry of Materials","2016","28","21","7905","","10.1021/acs.chemmater.6b03472","","","0.71073","MoKα","","0.1655","0.1134","","","0.323","0.3597","","","","","","1.121","","","","has coordinates,has disorder","231514","2020-10-21","18:00:00",""
"4003321","21.5488","0.0017","21.6774","0.0017","22.0348","0.0018","88","0.001","64.954","0.001","60.919","0.0012","7957.5","1.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C176 H328 Ag62 B2 S45 -","- C176 H328 Ag62 B2 S45 -","- C176 H328 Ag62 B2 S45 -","1","0.5","","Jin, Shan; Wang, Shuxin; Xiong, Ling; Zhou, Meng; Chen, Shuang; Du, Wenjun; Xia, Andong; Pei, Yong; Zhu, Manzhou","Two Electron Reduction: From Quantum Dots to Metal Nanoclusters","Chemistry of Materials","2016","28","21","7905","","10.1021/acs.chemmater.6b03472","","","0.71073","MoKα","","0.0512","0.0488","","","0.1136","0.1146","","","","","","1.039","","","","has coordinates","231515","2020-10-21","18:00:00",""
"4003322","22.4465","0.0009","22.4465","0.0009","38.2453","0.0018","90","","90","","120","","16688.1","1.2","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C387 H291 Cl5 Cu29 N24 -","- C387 H291 Cl5 Cu29 N24 -","- C774 H582 Cl10 Cu58 N48 -","2","0.333333","","Nguyen, Thuy-Ai D.; Jones, Zachary R.; Leto, Domenick F.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","Ligand-Exchange-Induced Growth of an Atomically Precise Cu29 Nanocluster from a Smaller Cluster","Chemistry of Materials","2016","28","22","8385","","10.1021/acs.chemmater.6b03879","","","0.71073","MoKα","","0.1383","0.0697","","","0.1578","0.1888","","","","","","1.019","","","","has coordinates","231516","2020-10-21","18:00:00",""
"4003323","11.622","0.0006","16.3129","0.001","24.6222","0.0011","90","","96.269","0.003","90","","4640.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55 Cl Cu N2 O3 P -","- C54 H55 Cl Cu N2 O3 P -","- C216 H220 Cl4 Cu4 N8 O12 P4 -","4","1","","Nguyen, Thuy-Ai D.; Jones, Zachary R.; Leto, Domenick F.; Wu, Guang; Scott, Susannah L.; Hayton, Trevor W.","Ligand-Exchange-Induced Growth of an Atomically Precise Cu29 Nanocluster from a Smaller Cluster","Chemistry of Materials","2016","28","22","8385","","10.1021/acs.chemmater.6b03879","","","0.71073","MoKα","","0.1438","0.0738","","","0.1728","0.2075","","","","","","1.021","","","","has coordinates","231516","2020-10-21","18:00:00",""
"4003324","36.821","0.003","7.8463","0.0007","16.111","0.0014","90","","99.967","0.001","90","","4584.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-mesityl-3-methyl-1-(4-methylbenzyl)-1H-benzimidazolium iodide hemihydrate","","- C25 H28 I N2 O0.5 -","- C25 H28 I N2 O0.5 -","- C200 H224 I8 N16 O4 -","8","1","","Weissbach, Thomas; Wright, Andrew G.; Peckham, Timothy J.; Sadeghi Alavijeh, Alireza; Pan, Vivian; Kjeang, Erik; Holdcroft, Steven","Simultaneous, Synergistic Control of Ion Exchange Capacity and Cross-Linking of Sterically-Protected Poly(benzimidazolium)s","Chemistry of Materials","2016","28","21","8060","","10.1021/acs.chemmater.6b03902","","","0.71073","MoKα","","0.0303","0.0246","","","0.0645","0.0691","","","","","","1.031","","","","has coordinates","231517","2020-10-21","18:00:00",""
"4003325","4.982","0.003","4.982","0.003","29.2","0.03","90","","90","","120","","627.7","0.8","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Br2 O3 Rb Zn2 -","- B Br2 O3 Rb Zn2 -","- B3 Br6 O9 Rb3 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0597","0.0546","","","0.1234","0.1262","","","","","","1.079","","","","has coordinates","231518","2020-10-21","18:00:00",""
"4003326","4.9618","0.0006","4.9618","0.0006","28.199","0.007","90","","90","","120","","601.23","0.18","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Br2 K O3 Zn2 -","- B Br2 K O3 Zn2 -","- B3 Br6 K3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0322","0.0302","","","0.0591","0.0596","","","","","","0.984","","","","has coordinates","231519","2020-10-21","18:00:00",""
"4003327","4.952","0.006","4.952","0.006","27.05","0.05","90","","90","","120","","574.5","1.4","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- B Cl2 H4 N O3 Zn2 -","- B Cl2 N O3 Zn2 -","- B3 Cl6 N3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.046","0.0449","","","0.1012","0.1016","","","","","","1.05","","","","has coordinates","231520","2020-10-21","18:00:00",""
"4003328","4.9624","0.0006","4.9624","0.0006","26.386","0.005","90","","90","","120","","562.71","0.14","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 K O3 Zn2 -","- B Cl2 K O3 Zn2 -","- B3 Cl6 K3 O9 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0215","0.0197","","","0.0389","0.0394","","","","","","1.034","","","","has coordinates","231521","2020-10-21","18:00:00",""
"4003329","4.9611","0.0005","4.9611","0.0005","27.221","0.006","90","","90","","120","","580.22","0.15","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B Cl2 O3 Rb Zn2 -","- B Cl2 O3 Rb Zn2 -","- B3 Cl6 O9 Rb3 Zn6 -","3","0.166667","","Yang, Guangsai; Gong, Pifu; Lin, Zheshuai; Ye, Ning","AZn2BO3X2(A = K, Rb, NH4; X = Cl, Br): New Members of KBBF Family Exhibiting Large SHG Response and the Enhancement of Layer Interaction by Modified Structures","Chemistry of Materials","2016","28","24","9122","","10.1021/acs.chemmater.6b04272","","","0.71073","MoKα","","0.0506","0.0472","","","0.124","0.1258","","","","","","1.035","","","","has coordinates","231522","2020-10-21","18:00:00",""
"4003330","7.6279","0.0011","7.6279","0.0011","13.99","0.003","90","","90","","120","","705","0.2","153.15","","153.15","","","","","","","","","5","P 63","P 6c","173","","","","- B Ba Be2 F3 O3 -","- B Ba Be2 F3 O3 -","- B6 Ba6 Be12 F18 O18 -","6","1","","Guo, Shu; Jiang, Xingxing; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","BaBe2BO3F3: A KBBF-Type Deep-Ultraviolet Nonlinear Optical Material with Reinforced [Be2BO3F2]∞Layers and Short Phase-Matching Wavelength","Chemistry of Materials","2016","28","24","8871","","10.1021/acs.chemmater.6b04403","","","0.71073","MoKα","","0.0502","0.0363","","","0.0768","0.0825","","","","","","1.01","","","","has coordinates","231523","2020-10-21","18:00:00",""