# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:33:59+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'The Journal of Physical Chemistry C') AND volume = 119 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
"1518454","9.5289","0.0003","9.1191","0.0003","8.667","0.0002","90","","90","","90","","753.12","0.04","110","2","110","2","","","","","","","","4","P m n 21","P 2ac -2","31","melamine barbital addition compound","","","- C11 H18 N8 O3 -","- C11 H18 N8 O3 -","- C22 H36 N16 O6 -","2","0.5","","Gryl, Marlena; Cenedese, Simone; Stadnicka, Katarzyna","Crystal Engineering and Charge Density Study of Pharmaceutical Nonlinear Optical Material: Melamine-Barbital Co-Crystal","The Journal of Physical Chemistry C","2015","119","1","590","","10.1021/jp509210g","","","0.71073","MoKα","","0.089","0.028","","","","0.023","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518776","11.703","0.0007","10.8732","0.0006","20.5169","0.0012","90","","92.636","0.002","90","","2608","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 F12 N3 Na O9 S4 -","- C12 H18 F12 N3 Na O9 S4 -","- C48 H72 F48 N12 Na4 O36 S16 -","4","1","","Giffin, Guinevere A.; Tannert, Jens; Jeong, Sangsik; Uhl, Werner; Passerini, Stefano","Crystalline Complexes of Pyr12O1TFSI-Based Ionic Liquid Electrolytes","The Journal of Physical Chemistry C","2015","119","11","5878","","10.1021/jp512895h","","","0.71073","MoKα","","0.0498","0.0371","","","0.0886","0.0955","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518777","11.4359","0.0002","12.0538","0.0002","13.8956","0.0002","69.152","0.001","82.96","0.001","81.651","0.001","1765.86","0.05","153","2","153","2","","","","","","","","7","P 1","P 1","1","","","","- C28 H36 F36 Mg2 N8 O26 S12 -","- C28 H36 F36 Mg2 N8 O26 S12 -","- C28 H36 F36 Mg2 N8 O26 S12 -","1","1","","Giffin, Guinevere A.; Tannert, Jens; Jeong, Sangsik; Uhl, Werner; Passerini, Stefano","Crystalline Complexes of Pyr12O1TFSI-Based Ionic Liquid Electrolytes","The Journal of Physical Chemistry C","2015","119","11","5878","","10.1021/jp512895h","","","0.71073","MoKα","","0.0348","0.0334","","","0.0892","0.0927","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518890","20.9864","0.0005","26.4023","0.0006","3.98755","0.00009","90","","90","","90","","2209.46","0.09","100","2","100","2","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- Mo7.62 O29.23 V2.38 -","- Mo7.625 O29.23 V2.3745 -","- Mo30.5 O116.92 V9.498 -","4","1","","Ishikawa, Satoshi; Kobayashi, Daichi; Konya, Takeshi; Ohmura, Shunpei; Murayama, Toru; Yasuda, Nobuhiro; Sadakane, Masahiro; Ueda, Wataru","Redox Treatment of Orthorhombic Mo29V11O112and Relationships between Crystal Structure, Microporosity and Catalytic Performance for Selective Oxidation of Ethane","The Journal of Physical Chemistry C","2015","119","13","7195","","10.1021/jp512848w","","","0.83077","Synchrotron","","0.0413","0.0351","","","0.079","0.0832","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519661","3.53131","0.00008","3.53131","0.00008","18.609","0.0006","90","","90","","120","","200.967","0.009","973","","973","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","lithium titanium disulfide (lithium deficient)","","- Li0.9 S2 Ti -","- Li0.9 S2 Ti -","- Li2.7 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin","Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study","The Journal of Physical Chemistry C","2015","119","21","11370","","10.1021/acs.jpcc.5b01166","powder diffraction","neutron","1.54829","neutron","","0.0296","0.0229","","0.0305","0.0298","","","0.0296","1.22","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519662","3.49902","0.00007","3.49902","0.00007","18.6498","0.0006","90","","90","","120","","197.741","0.008","873","","873","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","lithium titanium disulfide (lithium deficient)","","- Li0.7 S2 Ti -","- Li0.7 S2 Ti -","- Li2.1 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin","Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study","The Journal of Physical Chemistry C","2015","119","21","11370","","10.1021/acs.jpcc.5b01166","powder diffraction","neutron","1.54829","neutron","","0.0423","0.026","","0.0281","0.0261","","","0.0277","1.17","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519663","3.52138","0.00008","3.52138","0.00008","18.5588","0.0006","90","","90","","120","","199.3","0.009","873","","873","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","lithium titanium disulfide (lithium deficient)","","- Li0.9 S2 Ti -","- Li0.9 S2 Ti -","- Li2.7 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin","Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study","The Journal of Physical Chemistry C","2015","119","21","11370","","10.1021/acs.jpcc.5b01166","powder diffraction","neutron","1.54829","neutron","","0.0261","0.0171","","0.0221","0.0202","","","0.0211","1.23","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519664","3.49658","0.00008","3.49658","0.00008","18.6529","0.0007","90","","90","","120","","197.499","0.01","973","","973","","","","","","","","synthetic","3","R -3 m :H","-R 3 2""","166","","lithium titanium disulfide (lithium deficient)","","- Li0.7 S2 Ti -","- Li0.7 S2 Ti -","- Li2.1 S6 Ti3 -","3","0.0833333","","Wiedemann, Dennis; Islam, Mazharul M.; Nakhal, Suliman; Senyshyn, Anatoliy; Bredow, Thomas; Lerch, Martin","Lithium Diffusion Pathways in 3R-LixTiS2: A Combined Neutron Diffraction and Computational Study","The Journal of Physical Chemistry C","2015","119","21","11370","","10.1021/acs.jpcc.5b01166","powder diffraction","neutron","1.54829","neutron","","0.0366","0.0239","","0.0277","0.0263","","","0.0291","1.04","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520063","5.6265","0.0007","9.1195","0.001","9.5532","0.0011","90","","97.913","0.004","90","","485.52","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 N10 O6 -","- C4 H2 N10 O6 -","- C8 H4 N20 O12 -","2","0.5","","Zhang, Jiaheng; Shreeve, Jean’ne M.","Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties","The Journal of Physical Chemistry C","2015","119","23","12887","","10.1021/acs.jpcc.5b03714","","x-ray","0.71073","MoKα","","0.0619","0.0425","","","0.1021","0.1122","","","","","","1.039","","","","has coordinates","140177","2020-10-21","18:00:00",""
"1520064","7.8","0.0016","8.2","0.0016","8.6","0.0017","90","","115.4","0.03","90","","496.9","0.2","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C4 H2 N10 O7 -","- C4 H2 N10 O7 -","- C8 H4 N20 O14 -","2","1","","Zhang, Jiaheng; Shreeve, Jean’ne M.","Nitroaminofurazans with Azo and Azoxy Linkages: A Comparative Study of Structural, Electronic, Physicochemical, and Energetic Properties","The Journal of Physical Chemistry C","2015","119","23","12887","","10.1021/acs.jpcc.5b03714","","","0.71073","MoKα","","0.0352","0.035","","","0.0815","0.0816","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520296","9.66584","0.00033","9.66584","0.00033","7.19","0.00029","90","","90","","120","","581.75","0.04","300","","300","","","","","","","","","5","P 63/m","-P 6c","176","","","","- B0.6 La10 N1.4 O24.6 Si5.4 -","- B0.6 La10 N1.4 O24.6 Si5.4 -","- B0.6 La10 N1.4 O24.6 Si5.4 -","1","0.0833333","","Xia, Zhiguo; Molokeev, Maxim S.; Im, Won Bin; Unithrattil, Sanjith; Liu, Quanlin","Crystal Structure and Photoluminescence Evolution of La5(Si2+xB1‒x)(O13‒xNx):Ce3+Solid Solution Phosphors","The Journal of Physical Chemistry C","2015","119","17","9488","","10.1021/acs.jpcc.5b01211","powder diffraction","neutron","1.83515","neutron","","","","","","","","","3.1","3.124","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1529074","17.7691","0.0006","7.9596","0.0002","25.4492","0.0008","90","","107.241","0.002","90","","3437.67","0.18","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","VOLF-1","","","- C18 H18 F2 N O4 V -","- C18 H18 F2 N O4 V -","- C144 H144 F16 N8 O32 V8 -","8","2","","Choing, Stephanie N.; Francis, Aaron J.; Clendenning, Graham; Schuurman, Michael S.; Sommer, Roger D.; Tamblyn, Isaac; Weare, Walter W.; Cuk, Tanja","Long-Lived LMCT in a d0Vanadium(V) Complex by Internal Conversion to a State of 3dxyCharacter","The Journal of Physical Chemistry C","2015","119","30","17029","","10.1021/acs.jpcc.5b00513","","","0.71073","MoKα","","0.0553","0.0389","","","0.091","0.0992","","","","","","1.03","","","","has coordinates","152882","2020-10-21","18:00:00",""
"1529460","5.6019","0.00032","5.6019","0.00032","20.9878","0.0012","90","","90","","120","","570.39","0.06","300","","300","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ba3 O8 P2 -","- Ba3 O8 P2 -","- Ba9 O24 P6 -","3","0.0833333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.32","2.181","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1529461","5.54011","0.00024","5.54011","0.00024","20.6573","0.0011","90","","90","","120","","549.09","0.04","300","","300","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba0.81 O4 P Sr0.69 -","- Ba0.8125 O4 P Sr0.6875 -","- Ba4.875 O24 P6 Sr4.125 -","6","0.166667","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.77","2.863","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1529462","5.46471","0.00011","5.46471","0.00011","20.22347","0.00044","90","","90","","120","","523.023","0.019","300","","300","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba1.16 O12 P3 Sr3.34 -","- Ba1.164 O12 P3 Sr3.336 -","- Ba2.328 O24 P6 Sr6.672 -","2","0.0555556","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.38","2.341","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1529463","5.387993","0.000028","5.387993","0.000028","19.78604","0.00011","90","","90","","120","","497.443","0.005","300","","300","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- O8 P2 Sr3 -","- O8 P2 Sr3 -","- O24 P6 Sr9 -","3","0.0833333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.99","1.041","","","","","","","has coordinates,has Fobs","215051","2020-10-21","18:00:00",""
"1529464","10.66855","0.0002","10.66855","0.0002","38.9832","0.00084","90","","90","","120","","3842.54","0.13","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca0.5 O4 P Sr1.05 -","- Ca0.500143 O4 P Sr1.05343 -","- Ca21.006 O168 P42 Sr44.244 -","42","2.33333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","5.07","2.145","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529465","10.56198","0.00031","10.56198","0.00031","38.0712","0.0013","90","","90","","120","","3678.1","0.2","300","","300","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- Ca O4 P Sr0.43 -","- Ca1.00029 O4 P Sr0.426 -","- Ca42.012 O168 P42 Sr17.892 -","42","2.33333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.45","1.665","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529466","10.4414","0.0002","10.4414","0.0002","37.4208","0.00083","90","","90","","120","","3533.14","0.12","300","","300","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Ca11 O28 P7 -","- Ca11 O28 P7 -","- Ca66 O168 P42 -","6","0.333333","","Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu","Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets","The Journal of Physical Chemistry C","2015","119","0","2038","2045","10.1021/jp509743r","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.4","1.408","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529489","9.55299","0.00024","9.55299","0.00024","7.21426","0.00023","90","","90","","120","","570.17","0.03","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","","","","- B La5 O13 Si2 -","- B La5 O13 Si2 -","- B2 La10 O26 Si4 -","2","0.166667","","Zhiguo Xia; Maxim S. Molokeev; Won Bin Im; Sanjith Unithrattil; Quanlin Liu","Crystal Structure and Photoluminescence Evolution of La5(Si2+xB1-x)(O13-xNx):Ce3+ Solid Solution Phosphors","The Journal of Physical Chemistry C","2015","119","17","9488","9495","10.1021/acs.jpcc.5b01211","powder diffraction","","1.83515","neutron","","","","","","","","","1.98","2.31","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529490","9.71207","0.00023","9.71207","0.00023","7.18946","0.0002","90","","90","","120","","587.29","0.03","300","","300","","","","","","","","","4","P 63/m","-P 6c","176","","","","- La5 N O12 Si3 -","- La5 N1.0002 O11.9998 Si3 -","- La10 N2.0004 O23.9996 Si6 -","2","0.166667","","Zhiguo Xia; Maxim S. Molokeev; Won Bin Im; Sanjith Unithrattil; Quanlin Liu","Crystal Structure and Photoluminescence Evolution of La5(Si2+xB1-x)(O13-xNx):Ce3+ Solid Solution Phosphors","The Journal of Physical Chemistry C","2015","119","17","9488","9495","10.1021/acs.jpcc.5b01211","powder diffraction","neutron","1.83515","neutron","","","","","","","","","3.45","3.483","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1554053","10.194","0.002","11.472","0.002","13.683","0.003","90","","97.76","0.03","90","","1585.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Hariharan, P. S.; Venkataramanan, N. S.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-Reversible Mechanochromism and Thermochromism of a Triphenylamine-Based Molecule: Tunable Fluorescence and Nanofabrication Studies","The Journal of Physical Chemistry C","2015","119","17","9460","","10.1021/acs.jpcc.5b00310","","","0.62998","synchrotron","","0.0449","0.0393","","","0.1116","0.1158","","","","","","1.066","","","","has coordinates","236504","2020-10-21","18:00:00",""
"1554054","6.1967","0.0015","12.558","0.003","18.169","0.004","90","","95.745","0.003","90","","1406.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(G3)1:LiPF6","","","- C8 H18 F6 Li O4 P -","- C8 H18 F6 Li O4 P -","- C32 H72 F24 Li4 O16 P4 -","4","1","","Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg; Seo, Daniel M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes","The Journal of Physical Chemistry C","2015","119","16","8492","","10.1021/acs.jpcc.5b00826","","","0.71073","MoKα","","0.036","0.0306","","","0.0726","0.0753","","","","","","1.037","","","","has coordinates","236506","2020-10-21","18:00:00",""
"1554055","9.5125","0.0006","21.8997","0.0013","8.5903","0.0006","90","","90","","90","","1789.5","0.2","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","(DEC)2:LiPF6","","","- C5 H10 F3 Li0.5 O3 P0.5 -","- C5 H10 F3 Li0.5 O3 P0.5 -","- C40 H80 F24 Li4 O24 P4 -","8","1","","Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg; Seo, Daniel M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes","The Journal of Physical Chemistry C","2015","119","16","8492","","10.1021/acs.jpcc.5b00826","","","0.71073","MoKα","","0.1045","0.0826","","","0.2273","0.2381","","","","","","1.19","","","","has coordinates","236506","2020-10-21","18:00:00",""
"1554056","9.93781","0.00014","15.1528","0.0002","17.8125","0.0002","69.7564","0.0013","88.9555","0.0011","87.1772","0.0012","2513.57","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","5,9,14,18-tetraoctyloxy-dinaphto[2,3-a:2,3-h]phenazine","","- C60 H80 N2 O4 -","- C60 H80 N2 O4 -","- C120 H160 N4 O8 -","2","1","","Kotwica, Kamil; Bujak, Piotr; Wamil, Damian; Pieczonka, Adam; Wiosna-Salyga, Gabriela; Gunka, Piotr A.; Jaroch, Tomasz; Nowakowski, Robert; Luszczynska, Beata; Witkowska, Ewelina; Glowacki, Ireneusz; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam","Structural, Spectroscopic, Electrochemical, and Electroluminescent Properties of Tetraalkoxydinaphthophenazines: New Solution-Processable Nonlinear Azaacenes","The Journal of Physical Chemistry C","2015","119","19","10700","","10.1021/acs.jpcc.5b01557","","x-ray","0.71073","MoKα","","0.0809","0.0513","","","0.1326","0.1543","","","","","","1.024","","","","has coordinates","236511","2020-10-21","18:00:00",""
"1554057","9.8574","0.0005","17.6322","0.0007","17.7861","0.0008","68.547","0.004","87.477","0.004","89.776","0.004","2874.1","0.2","120","2","120","","","","","","","","","4","P -1","-P 1","2","","5,9,14,18-tetradecyloxy-dinaphto[2,3-a:2,3-h]phenazine","","- C68 H96 N2 O4 -","- C68 H96 N2 O4 -","- C136 H192 N4 O8 -","2","1","","Kotwica, Kamil; Bujak, Piotr; Wamil, Damian; Pieczonka, Adam; Wiosna-Salyga, Gabriela; Gunka, Piotr A.; Jaroch, Tomasz; Nowakowski, Robert; Luszczynska, Beata; Witkowska, Ewelina; Glowacki, Ireneusz; Ulanski, Jacek; Zagorska, Malgorzata; Pron, Adam","Structural, Spectroscopic, Electrochemical, and Electroluminescent Properties of Tetraalkoxydinaphthophenazines: New Solution-Processable Nonlinear Azaacenes","The Journal of Physical Chemistry C","2015","119","19","10700","","10.1021/acs.jpcc.5b01557","","x-ray","1.54184","CuKα","","0.1066","0.0686","","","0.2049","0.2499","","","","","","1.064","","","","has coordinates","236511","2020-10-21","18:00:00",""
"1554058","12.663","0.0017","33.528","0.004","12.2027","0.0012","90","","90","","90","","5180.8","1.1","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1-(piperidin-1-yl(pyridin-4-yl)methyl)urea","","- C12 H18 N4 O -","- C12 H18 N4 O -","- C192 H288 N64 O16 -","16","1","","Jeeva, Mani; Prabhu, G. Venkatesa; Boobalan, Maria susai; Rajesh, Chinnaiyan Mahalingam","Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl","The Journal of Physical Chemistry C","2015","119","38","22025","","10.1021/acs.jpcc.5b05788","","x-ray","0.71073","MoKα","","0.0705","0.0533","","","0.1345","0.1543","","","","","","1.063","","","","has coordinates","236513","2020-10-21","18:00:00",""
"1554059","12.2079","0.0011","34.449","0.003","11.8236","0.0006","90","","90","","90","","4972.4","0.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","morpholinopyridinylurea","1-(morpholino(pyridin-4-yl)methyl)urea","","- C11 H16 N4 O2 -","- C11 H16 N4 O2 -","- C176 H256 N64 O32 -","16","1","","Jeeva, Mani; Prabhu, G. Venkatesa; Boobalan, Maria susai; Rajesh, Chinnaiyan Mahalingam","Interactions and Inhibition Effect of Urea-Derived Mannich Bases on a Mild Steel Surface in HCl","The Journal of Physical Chemistry C","2015","119","38","22025","","10.1021/acs.jpcc.5b05788","","x-ray","0.71073","MoKα","","0.0546","0.045","","","0.1677","0.1969","","","","","","0.818","","","","has coordinates","236514","2020-10-21","18:00:00",""
"1554060","8.4758","0.0003","44.7106","0.0015","9.2023","0.0003","90","","115.97","0.0015","90","","3135.15","0.19","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H13 F6 I6 O P -","- C25 H13 F6 I6 O P -","- C100 H52 F24 I24 O4 P4 -","4","1","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.0503","0.0492","","","0.1073","0.1077","","","","","","1.348","","","","has coordinates","236516","2020-10-21","18:00:00",""
"1554061","8.6823","0.0002","12.8395","0.0002","15.127","0.0003","90.4885","0.001","97.5416","0.001","105.886","0.0011","1606.12","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H15 F8 I4 O P -","- C30 H15 F8 I4 O P -","- C60 H30 F16 I8 O2 P2 -","2","1","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.052","0.0408","","","0.1019","0.1092","","","","","","1.034","","","","has coordinates,has disorder","236517","2020-10-21","18:00:00",""
"1554062","9.7436","0.0002","10.7585","0.0002","13.5453","0.0003","113.174","0.001","96.9048","0.001","107.42","0.0011","1198.74","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H15 F3 I3 O P -","- C24 H15 F3 I3 O P -","- C48 H30 F6 I6 O2 P2 -","2","1","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.0216","0.0198","","","0.0519","0.053","","","","","","1.017","","","","has coordinates","236519","2020-10-21","18:00:00",""
"1554063","21.9816","0.0016","18.0739","0.0014","5.8075","0.0004","90","","90","","90","","2307.3","0.3","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H16 F4 I2 N O P -","- C21 H17 F4 I2 N O P -","- C84 H68 F16 I8 N4 O4 P4 -","4","0.5","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.0192","0.0182","","","0.0492","0.0497","","","","","","1.022","","","","has coordinates","236520","2020-10-21","18:00:00",""
"1554064","9.319","0.0006","25.4268","0.0018","13.8063","0.0009","90","","103.942","0.0017","90","","3175.1","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H15 F8 I4 O P -","- C30 H15 F8 I4 O P -","- C120 H60 F32 I16 O4 P4 -","4","1","","Xu, Yijue; Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Mechanochemical Production of Halogen-Bonded Solids Featuring P═O···I‒C Motifs and Characterization via X-ray Diffraction, Solid-State Multinuclear Magnetic Resonance, and Density Functional Theory","The Journal of Physical Chemistry C","2015","119","48","27104","","10.1021/acs.jpcc.5b09737","","","0.71073","MoKα","","0.0353","0.0339","","","0.085","0.0864","","","","","","1.044","","","","has coordinates","236521","2020-10-21","18:00:00",""